Ligand source activities (1 row/activity)
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
AssayType |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
CHEMBL4210786 | 220043 | 0 | None | 5 | 2 | Rat | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)c1c[nH]cn1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | ||||
12607 | 10556 | 42 | None | -1 | 4 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 248 | 2 | 1 | 2 | 3.7 | CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2O | 10.1021/acs.jmedchem.7b00976 | ||
16033 | 10556 | 42 | None | -1 | 4 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 248 | 2 | 1 | 2 | 3.7 | CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2O | 10.1021/acs.jmedchem.7b00976 | ||
CHEMBL3559801 | 10556 | 42 | None | -1 | 4 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 248 | 2 | 1 | 2 | 3.7 | CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2O | 10.1021/acs.jmedchem.7b00976 | ||
137641708 | 165181 | 0 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 1850 | 57 | 29 | 24 | -6.9 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
CHEMBL4090092 | 165181 | 0 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 1850 | 57 | 29 | 24 | -6.9 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
CHEMBL4207076 | 220035 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | CC[C@@](C)(NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | ||||
CHEMBL4208191 | 220038 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | CC[C@@](C)(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | ||||
162648215 | 186697 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 4278 | 111 | 63 | 59 | -17.3 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CSCC(=O)NCCCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCCC2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4746101 | 186697 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 4278 | 111 | 63 | 59 | -17.3 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CSCC(=O)NCCCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCCC2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4206938 | 220034 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | ||||
CHEMBL4211310 | 220045 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@](C)(CC)NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)c1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | ||||
CHEMBL4211953 | 220049 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](CO)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | ||||
CHEMBL4216889 | 220059 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | ||||
CHEMBL4210786 | 220043 | 0 | None | -5 | 2 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)c1c[nH]cn1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | ||||
137634023 | 163411 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 1892 | 58 | 31 | 24 | -7.4 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
CHEMBL4069205 | 163411 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 1892 | 58 | 31 | 24 | -7.4 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
CHEMBL4202723 | 220022 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@](C)(CC)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | ||||
CHEMBL4206417 | 220032 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)c1c[nH]cn1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | ||||
CHEMBL4208856 | 220039 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | CC[C@@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | ||||
CHEMBL4216864 | 220058 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@](C)(CC)NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | ||||
162648215 | 186697 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 4278 | 111 | 63 | 59 | -17.3 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CSCC(=O)NCCCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCCC2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4746101 | 186697 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 4278 | 111 | 63 | 59 | -17.3 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CSCC(=O)NCCCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCCC2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | ||
162673530 | 189804 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 4292 | 111 | 63 | 59 | -16.9 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CSCC(=O)NCCCCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCCC2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4793898 | 189804 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 4292 | 111 | 63 | 59 | -16.9 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CSCC(=O)NCCCCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCCC2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4204797 | 220026 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | ||||
CHEMBL4207590 | 220036 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)c1c[nH]cn1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | ||||
137639373 | 163465 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1860 | 56 | 27 | 23 | -4.9 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
CHEMBL4069788 | 163465 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1860 | 56 | 27 | 23 | -4.9 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
CHEMBL439904 | 220633 | 13 | None | 72 | 4 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | ||||
137637360 | 162900 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1864 | 58 | 29 | 24 | -6.5 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
CHEMBL4063306 | 162900 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1864 | 58 | 29 | 24 | -6.5 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
137637657 | 163018 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1807 | 56 | 28 | 24 | -7.4 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
CHEMBL4064778 | 163018 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1807 | 56 | 28 | 24 | -7.4 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
137655430 | 165587 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1865 | 56 | 29 | 24 | -6.6 | CC(=O)N[C@@H](CO)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
CHEMBL4094429 | 165587 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1865 | 56 | 29 | 24 | -6.6 | CC(=O)N[C@@H](CO)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
137651823 | 163958 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1865 | 56 | 29 | 24 | -6.6 | CC(=O)N[C@@H](CO)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
CHEMBL4075597 | 163958 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1865 | 56 | 29 | 24 | -6.6 | CC(=O)N[C@@H](CO)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
137637657 | 163018 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1807 | 56 | 28 | 24 | -7.4 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | ||
CHEMBL4064778 | 163018 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1807 | 56 | 28 | 24 | -7.4 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | ||
CHEMBL4212927 | 220052 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | ||||
137632397 | 163065 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1849 | 57 | 28 | 23 | -5.4 | CCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
CHEMBL4065281 | 163065 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1849 | 57 | 28 | 23 | -5.4 | CCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
CHEMBL4205712 | 220029 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | ||||
CHEMBL4208023 | 220037 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | ||||
CHEMBL439904 | 220633 | 13 | None | 72 | 4 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2017.06.055 | ||||
137638459 | 163474 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 4047 | 129 | 61 | 56 | -16.9 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@H](C)O)C(C)C | 10.1021/acsmedchemlett.7b00047 | ||
CHEMBL4069932 | 163474 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 4047 | 129 | 61 | 56 | -16.9 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@H](C)O)C(C)C | 10.1021/acsmedchemlett.7b00047 | ||
CHEMBL4211441 | 220047 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | ||||
CHEMBL4217524 | 220062 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | CC[C@@](C)(NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | ||||
CHEMBL439904 | 220633 | 13 | None | 72 | 4 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmc.2017.08.044 | ||||
162676875 | 190351 | 0 | None | 1995 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 4218 | 130 | 63 | 56 | -15.0 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4800389 | 190351 | 0 | None | 1995 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 4218 | 130 | 63 | 56 | -15.0 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL439904 | 220633 | 13 | None | 72 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||||
162656752 | 187699 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 5065 | 154 | 69 | 69 | -13.7 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]1CSCC(=O)N[C@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4757910 | 187699 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 5065 | 154 | 69 | 69 | -13.7 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]1CSCC(=O)N[C@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL3099721 | 217799 | 0 | None | 95 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | ||||
162647227 | 186524 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 4110 | 126 | 63 | 57 | -17.0 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)C1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4744204 | 186524 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 4110 | 126 | 63 | 57 | -17.0 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)C1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | ||
162673585 | 189907 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 4123 | 128 | 63 | 57 | -16.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4795037 | 189907 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 4123 | 128 | 63 | 57 | -16.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | ||
137644502 | 165252 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1799 | 55 | 28 | 23 | -6.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
CHEMBL4090786 | 165252 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1799 | 55 | 28 | 23 | -6.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
CHEMBL4212566 | 220050 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | ||||
122178183 | 128043 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1872 | 61 | 31 | 25 | -7.4 | CC(=O)NC(CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||
CHEMBL3578012 | 128043 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1872 | 61 | 31 | 25 | -7.4 | CC(=O)NC(CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||
122178183 | 128043 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1872 | 61 | 31 | 25 | -7.4 | CC(=O)NC(CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||
CHEMBL3578012 | 128043 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1872 | 61 | 31 | 25 | -7.4 | CC(=O)NC(CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||
CHEMBL4214907 | 220056 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)CCC(=O)O)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | ||||
162676875 | 190351 | 0 | None | 1995 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 4218 | 130 | 63 | 56 | -15.0 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4800389 | 190351 | 0 | None | 1995 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 4218 | 130 | 63 | 56 | -15.0 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | ||
137646370 | 164808 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1823 | 56 | 28 | 23 | -6.1 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@](C)(CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
CHEMBL4085697 | 164808 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1823 | 56 | 28 | 23 | -6.1 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@](C)(CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
CHEMBL4213780 | 220054 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | ||||
137658962 | 165849 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1840 | 57 | 28 | 23 | -6.3 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
CHEMBL4097195 | 165849 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1840 | 57 | 28 | 23 | -6.3 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
162676573 | 190279 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 4834 | 143 | 66 | 66 | -13.8 | CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@@H]1CCCNC(=O)CSC[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)CSCC(=O)N1 | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4799638 | 190279 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 4834 | 143 | 66 | 66 | -13.8 | CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@@H]1CCCNC(=O)CSC[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)CSCC(=O)N1 | 10.1021/acs.jmedchem.0c00740 | ||
137641937 | 165182 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 1884 | 56 | 28 | 24 | -6.0 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccncc1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
CHEMBL4090126 | 165182 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 1884 | 56 | 28 | 24 | -6.0 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccncc1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
CHEMBL4210343 | 220042 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)C(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | ||||
162659353 | 188110 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 4293 | 111 | 64 | 60 | -18.5 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CSCC(=O)NCCNCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCCC2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4762811 | 188110 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 4293 | 111 | 64 | 60 | -18.5 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CSCC(=O)NCCNCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCCC2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL3578011 | 218542 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||||
CHEMBL4209661 | 220040 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | CC[C@@](C)(NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | ||||
CHEMBL4216997 | 220060 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | CC[C@@](C)(NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | ||||
CHEMBL3578011 | 218542 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||||
137653207 | 165423 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 1837 | 57 | 29 | 23 | -5.7 | CC(=O)N[C@@H](CO)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
CHEMBL4092494 | 165423 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 1837 | 57 | 29 | 23 | -5.7 | CC(=O)N[C@@H](CO)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
162659115 | 188129 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 4291 | 112 | 63 | 59 | -16.7 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4763048 | 188129 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 4291 | 112 | 63 | 59 | -16.7 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
137659071 | 166092 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1837 | 57 | 28 | 23 | -5.7 | CC(=O)N[C@@H](CO)C(=O)N(C)[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
CHEMBL4099784 | 166092 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1837 | 57 | 28 | 23 | -5.7 | CC(=O)N[C@@H](CO)C(=O)N(C)[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
CHEMBL4203253 | 220024 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)CO)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | ||||
137660673 | 165998 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1823 | 55 | 29 | 24 | -7.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
CHEMBL4098787 | 165998 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1823 | 55 | 29 | 24 | -7.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
CHEMBL3578010 | 218541 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm501702q | ||||
137638723 | 163755 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1849 | 56 | 28 | 23 | -5.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
CHEMBL4073010 | 163755 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1849 | 56 | 28 | 23 | -5.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
137643080 | 165246 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1849 | 56 | 28 | 23 | -5.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
CHEMBL4090700 | 165246 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1849 | 56 | 28 | 23 | -5.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
137638723 | 163755 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1849 | 56 | 28 | 23 | -5.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | ||
CHEMBL4073010 | 163755 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1849 | 56 | 28 | 23 | -5.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | ||
162643536 | 188511 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 4821 | 142 | 66 | 66 | -14.5 | CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@@H]1CCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)CSCC(=O)N1 | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4777115 | 188511 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 4821 | 142 | 66 | 66 | -14.5 | CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@@H]1CCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)CSCC(=O)N1 | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL3578010 | 218541 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm501702q | ||||
162649665 | 186901 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 5136 | 156 | 69 | 70 | -14.2 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CSCC(=O)NCCN(C(=O)CCC(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCCC2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4748622 | 186901 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 5136 | 156 | 69 | 70 | -14.2 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CSCC(=O)NCCN(C(=O)CCC(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCCC2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | ||
162659115 | 188129 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 4291 | 112 | 63 | 59 | -16.7 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4763048 | 188129 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 4291 | 112 | 63 | 59 | -16.7 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
137661485 | 166253 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1781 | 54 | 28 | 23 | -7.1 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
CHEMBL4101589 | 166253 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1781 | 54 | 28 | 23 | -7.1 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
162650388 | 186851 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 4221 | 112 | 62 | 59 | -17.4 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4747959 | 186851 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 4221 | 112 | 62 | 59 | -17.4 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
137634780 | 162762 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 1894 | 60 | 30 | 24 | -5.7 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
CHEMBL4061596 | 162762 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 1894 | 60 | 30 | 24 | -5.7 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
137649686 | 163937 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 1844 | 56 | 28 | 24 | -6.9 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
CHEMBL4075287 | 163937 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 1844 | 56 | 28 | 24 | -6.9 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
56841989 | 220199 | 6 | None | -1 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4281479 | 220199 | 6 | None | -1 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
56841989 | 220199 | 6 | None | -1 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4281479 | 220199 | 6 | None | -1 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4211438 | 220046 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)c1ccccc1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | ||||
162654714 | 187403 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 4792 | 141 | 66 | 65 | -13.4 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]1CSCC(=O)N[C@H](C(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)CCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4754752 | 187403 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 4792 | 141 | 66 | 65 | -13.4 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]1CSCC(=O)N[C@H](C(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)CCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | ||
162672289 | 189695 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 4805 | 142 | 66 | 65 | -12.7 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)CSCC(=O)NCCC[C@@H](C(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4792453 | 189695 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 4805 | 142 | 66 | 65 | -12.7 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)CSCC(=O)NCCC[C@@H](C(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4279794 | 220178 | 0 | None | 7 | 4 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4292105 | 220292 | 0 | None | 7 | 4 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
162650388 | 186851 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 4221 | 112 | 62 | 59 | -17.4 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4747959 | 186851 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 4221 | 112 | 62 | 59 | -17.4 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL439904 | 220633 | 13 | None | 72 | 4 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | ||||
CHEMBL3099724 | 217802 | 0 | None | 35 | 4 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | ||||
CHEMBL439904 | 220633 | 13 | None | 72 | 4 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | ||||
137657064 | 166420 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 1833 | 56 | 29 | 24 | -7.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
CHEMBL4103628 | 166420 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 1833 | 56 | 29 | 24 | -7.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
137639719 | 163565 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 1823 | 57 | 28 | 23 | -6.1 | CC(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
CHEMBL4070864 | 163565 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 1823 | 57 | 28 | 23 | -6.1 | CC(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
162647494 | 186747 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 4764 | 143 | 65 | 66 | -14.5 | CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@@H]1CCCNC(=O)CSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)CSCC(=O)N1 | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4746748 | 186747 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 4764 | 143 | 65 | 66 | -14.5 | CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@@H]1CCCNC(=O)CSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)CSCC(=O)N1 | 10.1021/acs.jmedchem.0c00740 | ||
162656752 | 187699 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 5065 | 154 | 69 | 69 | -13.7 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]1CSCC(=O)N[C@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4757910 | 187699 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 5065 | 154 | 69 | 69 | -13.7 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]1CSCC(=O)N[C@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL439904 | 220633 | 13 | None | 72 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | ||||
137646917 | 164467 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 1837 | 57 | 28 | 23 | -5.7 | CC(=O)N[C@@H](CO)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
CHEMBL4081767 | 164467 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 1837 | 57 | 28 | 23 | -5.7 | CC(=O)N[C@@H](CO)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
CHEMBL3099724 | 217802 | 0 | None | 35 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | ||||
137640909 | 163812 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 1809 | 57 | 29 | 23 | -6.5 | CC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
CHEMBL4073606 | 163812 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 1809 | 57 | 29 | 23 | -6.5 | CC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
137643148 | 164853 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 1813 | 58 | 28 | 22 | -4.6 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
CHEMBL4086266 | 164853 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 1813 | 58 | 28 | 22 | -4.6 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
162666880 | 189271 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 4011 | 126 | 62 | 57 | -17.9 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4786848 | 189271 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 4011 | 126 | 62 | 57 | -17.9 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4277590 | 220152 | 0 | None | 1 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4290445 | 220274 | 0 | None | 100 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL3578015 | 218545 | 0 | None | 33 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCCNC(=O)CCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||||
CHEMBL4277590 | 220152 | 0 | None | 1 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4290445 | 220274 | 0 | None | 100 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
137636973 | 162996 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1781 | 54 | 28 | 23 | -7.1 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(C)(C)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
CHEMBL4064467 | 162996 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1781 | 54 | 28 | 23 | -7.1 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(C)(C)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
CHEMBL3578015 | 218545 | 0 | None | 33 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCCNC(=O)CCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||||
162676875 | 190351 | 0 | None | 1995 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 4218 | 130 | 63 | 56 | -15.0 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4800389 | 190351 | 0 | None | 1995 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 4218 | 130 | 63 | 56 | -15.0 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | ||
137634108 | 163110 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1844 | 56 | 28 | 24 | -6.9 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
CHEMBL4065752 | 163110 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1844 | 56 | 28 | 24 | -6.9 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
CHEMBL4284905 | 220229 | 0 | None | -10 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4294418 | 220310 | 0 | None | 199 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC1=O | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL3578018 | 218548 | 0 | None | 15 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CC(=O)NC(CNC(=O)CCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||||
CHEMBL4287058 | 220246 | 0 | None | 63 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4294277 | 220309 | 0 | None | 5 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
44439567 | 175469 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 1770 | 54 | 29 | 23 | -5.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(N)cc1Cl)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||
91936048 | 175469 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 1770 | 54 | 29 | 23 | -5.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(N)cc1Cl)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||
CHEMBL436630 | 175469 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 1770 | 54 | 29 | 23 | -5.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(N)cc1Cl)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||
162654606 | 187397 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 4053 | 128 | 62 | 57 | -17.0 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4754673 | 187397 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 4053 | 128 | 62 | 57 | -17.0 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | ||
1192552 | 28885 | 12 | None | -4 | 4 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 384 | 6 | 2 | 6 | 5.3 | CCOC(=O)c1nc(Nc2ccc(Nc3ccccc3)cc2)c2ccccc2n1 | nan | ||
CHEMBL1322039 | 28885 | 12 | None | -4 | 4 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 384 | 6 | 2 | 6 | 5.3 | CCOC(=O)c1nc(Nc2ccc(Nc3ccccc3)cc2)c2ccccc2n1 | nan | ||
7066599 | 51267 | 10 | None | -1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 293 | 3 | 1 | 4 | 4.5 | Fc1ccc(Nc2c(-c3ccco3)nc3ccccn23)cc1 | nan | ||
CHEMBL1519263 | 51267 | 10 | None | -1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 293 | 3 | 1 | 4 | 4.5 | Fc1ccc(Nc2c(-c3ccco3)nc3ccccn23)cc1 | nan | ||
CHEMBL429005 | 220270 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||||
CHEMBL238533 | 217172 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||||
9665691 | 115870 | 1 | None | 1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 273 | 2 | 1 | 4 | 3.5 | Fc1ccc2c(c1)/C(=N/Nc1ccccn1)CCS2 | nan | ||
CHEMBL3213319 | 115870 | 1 | None | 1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 273 | 2 | 1 | 4 | 3.5 | Fc1ccc2c(c1)/C(=N/Nc1ccccn1)CCS2 | nan | ||
4055293 | 61873 | 8 | None | -1 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 392 | 2 | 0 | 2 | 6.1 | Cc1sc2cc3c(c(C(=O)c4ccccc4)[n+]2c1C)-c1cccc2cccc-3c12 | nan | ||
CHEMBL1366987 | 61873 | 8 | None | -1 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 392 | 2 | 0 | 2 | 6.1 | Cc1sc2cc3c(c(C(=O)c4ccccc4)[n+]2c1C)-c1cccc2cccc-3c12 | nan | ||
CHEMBL1616832 | 61873 | 8 | None | -1 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 392 | 2 | 0 | 2 | 6.1 | Cc1sc2cc3c(c(C(=O)c4ccccc4)[n+]2c1C)-c1cccc2cccc-3c12 | nan | ||
CHEMBL413871 | 219872 | 0 | None | -5 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm050907d | ||||
CHEMBL4286615 | 220243 | 0 | None | -81 | 4 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | ||||
3260593 | 123846 | 10 | None | 1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 434 | 2 | 0 | 4 | 6.1 | Clc1ccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)cc1 | nan | ||
CHEMBL3392057 | 123846 | 10 | None | 1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 434 | 2 | 0 | 4 | 6.1 | Clc1ccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)cc1 | nan | ||
708088 | 27954 | 11 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 328 | 4 | 1 | 5 | 3.6 | Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C3CCCCC3)cc2)n1 | nan | ||
CHEMBL1312767 | 27954 | 11 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 328 | 4 | 1 | 5 | 3.6 | Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C3CCCCC3)cc2)n1 | nan | ||
135469963 | 115879 | 5 | None | -1 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 443 | 6 | 1 | 6 | 4.1 | O=C(/C(=N/Nc1cccc([N+](=O)[O-])c1)C(=O)C(F)(F)F)c1ccc(Br)cc1 | nan | ||
CHEMBL3213459 | 115879 | 5 | None | -1 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 443 | 6 | 1 | 6 | 4.1 | O=C(/C(=N/Nc1cccc([N+](=O)[O-])c1)C(=O)C(F)(F)F)c1ccc(Br)cc1 | nan | ||
2919986 | 62062 | 6 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 387 | 8 | 1 | 7 | 2.2 | COc1ccc(N2CCN(CC(O)COc3ccccc3[N+](=O)[O-])CC2)cc1 | nan | ||
CHEMBL1342462 | 62062 | 6 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 387 | 8 | 1 | 7 | 2.2 | COc1ccc(N2CCN(CC(O)COc3ccccc3[N+](=O)[O-])CC2)cc1 | nan | ||
CHEMBL1618362 | 62062 | 6 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 387 | 8 | 1 | 7 | 2.2 | COc1ccc(N2CCN(CC(O)COc3ccccc3[N+](=O)[O-])CC2)cc1 | nan | ||
2836861 | 39209 | 5 | None | -2 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 368 | 9 | 1 | 4 | 3.9 | CCOC(=O)C(Cc1ccccc1)C(=O)Nc1ccc(N(CC)CC)cc1 | nan | ||
CHEMBL1411397 | 39209 | 5 | None | -2 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 368 | 9 | 1 | 4 | 3.9 | CCOC(=O)C(Cc1ccccc1)C(=O)Nc1ccc(N(CC)CC)cc1 | nan | ||
136217230 | 51301 | 1 | None | -1 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 442 | 6 | 1 | 9 | 3.7 | COc1ccc(Nc2oc(/C=C3/SC(=S)N(CC4CCCO4)C3=O)nc2C#N)cc1 | nan | ||
CHEMBL1519588 | 51301 | 1 | None | -1 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 442 | 6 | 1 | 9 | 3.7 | COc1ccc(Nc2oc(/C=C3/SC(=S)N(CC4CCCO4)C3=O)nc2C#N)cc1 | nan | ||
CHEMBL4286615 | 220243 | 0 | None | -81 | 4 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL269267 | 217563 | 0 | None | -4 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||||
693933 | 54504 | 14 | None | -3 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 327 | 3 | 1 | 3 | 3.9 | Nc1cc(-c2ccc(Br)cc2)nn1Cc1ccccc1 | nan | ||
CHEMBL1547757 | 54504 | 14 | None | -3 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 327 | 3 | 1 | 3 | 3.9 | Nc1cc(-c2ccc(Br)cc2)nn1Cc1ccccc1 | nan | ||
1192552 | 28885 | 12 | None | -4 | 4 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 384 | 6 | 2 | 6 | 5.3 | CCOC(=O)c1nc(Nc2ccc(Nc3ccccc3)cc2)c2ccccc2n1 | nan | ||
CHEMBL1322039 | 28885 | 12 | None | -4 | 4 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 384 | 6 | 2 | 6 | 5.3 | CCOC(=O)c1nc(Nc2ccc(Nc3ccccc3)cc2)c2ccccc2n1 | nan | ||
3235884 | 58124 | 5 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 466 | 8 | 3 | 9 | 1.7 | CCSc1nnc(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)s1 | nan | ||
CHEMBL1581332 | 58124 | 5 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 466 | 8 | 3 | 9 | 1.7 | CCSc1nnc(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)s1 | nan | ||
3244114 | 29674 | 4 | None | -1 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 431 | 8 | 2 | 5 | 3.6 | CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)NCCC3=CCCCC3)c(O)c2c1 | nan | ||
CHEMBL1329027 | 29674 | 4 | None | -1 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 431 | 8 | 2 | 5 | 3.6 | CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)NCCC3=CCCCC3)c(O)c2c1 | nan | ||
162657544 | 187915 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 4236 | 113 | 62 | 59 | -16.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4760650 | 187915 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 4236 | 113 | 62 | 59 | -16.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
162664292 | 189002 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 4164 | 131 | 65 | 60 | -19.6 | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4783238 | 189002 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 4164 | 131 | 65 | 60 | -19.6 | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | ||
3237370 | 54592 | 6 | None | -1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 366 | 8 | 1 | 4 | 3.3 | C=CCc1ccccc1OCC(O)CN1CCN(c2ccc(C)cc2)CC1 | nan | ||
CHEMBL1548605 | 54592 | 6 | None | -1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 366 | 8 | 1 | 4 | 3.3 | C=CCc1ccccc1OCC(O)CN1CCN(c2ccc(C)cc2)CC1 | nan | ||
162665176 | 188848 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 4277 | 94 | 62 | 59 | -15.5 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CSCC(=O)NCCCCCCCCCCCNC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4781420 | 188848 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 4277 | 94 | 62 | 59 | -15.5 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CSCC(=O)NCCCCCCCCCCCNC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4278700 | 220169 | 0 | None | -79 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | ||||
67275 | 54168 | 72 | None | -1 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 311 | 2 | 2 | 2 | 4.8 | Cc1ccc(Cl)cc1NC(=O)c1cc2ccccc2cc1O | nan | ||
CHEMBL1544847 | 54168 | 72 | None | -1 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 311 | 2 | 2 | 2 | 4.8 | Cc1ccc(Cl)cc1NC(=O)c1cc2ccccc2cc1O | nan | ||
3911588 | 58326 | 7 | None | -1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 418 | 6 | 2 | 3 | 4.5 | O=C(Cc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1 | nan | ||
CHEMBL1583097 | 58326 | 7 | None | -1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 418 | 6 | 2 | 3 | 4.5 | O=C(Cc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1 | nan | ||
CHEMBL4278700 | 220169 | 0 | None | -79 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL393255 | 219245 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2007.01.045 | ||||
162654757 | 187333 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 4346 | 116 | 65 | 62 | -19.6 | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4753885 | 187333 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 4346 | 116 | 65 | 62 | -19.6 | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
1786 | 9298 | 85 | None | -323 | 7 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
4171 | 9298 | 85 | None | -323 | 7 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
553 | 9298 | 85 | None | -323 | 7 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
CHEMBL13 | 9298 | 85 | None | -323 | 7 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
DB00264 | 9298 | 85 | None | -323 | 7 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
3117655 | 46123 | 4 | None | -1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 322 | 4 | 1 | 5 | 3.3 | CC1=NC(=O)C(N=Nc2ccccc2C(=O)O)N1c1ccccc1 | nan | ||
CHEMBL1471202 | 46123 | 4 | None | -1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 322 | 4 | 1 | 5 | 3.3 | CC1=NC(=O)C(N=Nc2ccccc2C(=O)O)N1c1ccccc1 | nan | ||
162653816 | 187262 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 3961 | 126 | 61 | 56 | -17.8 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4753050 | 187262 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 3961 | 126 | 61 | 56 | -17.8 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | ||
2191297 | 49931 | 9 | None | -1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 408 | 7 | 0 | 8 | 3.3 | C=CCN1C(=O)/C(=C/c2ccc(OC(C)=O)c(OCC)c2[N+](=O)[O-])SC1=S | nan | ||
CHEMBL1505552 | 49931 | 9 | None | -1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 408 | 7 | 0 | 8 | 3.3 | C=CCN1C(=O)/C(=C/c2ccc(OC(C)=O)c(OCC)c2[N+](=O)[O-])SC1=S | nan | ||
44439571 | 167966 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 1762 | 54 | 29 | 23 | -5.8 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1Cc2ccccc2N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||
91936055 | 167966 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 1762 | 54 | 29 | 23 | -5.8 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1Cc2ccccc2N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||
CHEMBL411766 | 167966 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 1762 | 54 | 29 | 23 | -5.8 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1Cc2ccccc2N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||
162661854 | 188647 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 3977 | 127 | 62 | 57 | -19.0 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4778796 | 188647 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 3977 | 127 | 62 | 57 | -19.0 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | ||
135521591 | 78956 | 4 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 391 | 6 | 3 | 9 | 2.8 | COCC/N=c1\scc(-c2cccs2)n1/N=C/c1ccc(O)c(O)c1O | nan | ||
CHEMBL1979957 | 78956 | 4 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 391 | 6 | 3 | 9 | 2.8 | COCC/N=c1\scc(-c2cccs2)n1/N=C/c1ccc(O)c(O)c1O | nan | ||
2945839 | 37248 | 12 | None | 1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 487 | 8 | 2 | 8 | 3.5 | COC(=O)c1ccc(NC(=O)CSc2nnc(C(C)NC(=O)c3ccccc3Cl)n2C)cc1 | nan | ||
CHEMBL1392858 | 37248 | 12 | None | 1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 487 | 8 | 2 | 8 | 3.5 | COC(=O)c1ccc(NC(=O)CSc2nnc(C(C)NC(=O)c3ccccc3Cl)n2C)cc1 | nan | ||
CHEMBL4284905 | 220229 | 0 | None | -10 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4294418 | 220310 | 0 | None | 199 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC1=O | 10.1021/acs.jmedchem.8b01046 | ||||
137639723 | 163618 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1727 | 53 | 26 | 20 | -2.8 | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
CHEMBL4071371 | 163618 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1727 | 53 | 26 | 20 | -2.8 | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
137660151 | 165841 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1727 | 53 | 26 | 20 | -2.8 | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)C(CC1CCCCC1)NC(=O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
CHEMBL4097131 | 165841 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1727 | 53 | 26 | 20 | -2.8 | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)C(CC1CCCCC1)NC(=O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
CHEMBL3578018 | 218548 | 0 | None | 15 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CC(=O)NC(CNC(=O)CCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||||
CHEMBL4205282 | 220028 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | ||||
CHEMBL3099722 | 217800 | 0 | None | 79 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)O[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | ||||
162672307 | 189728 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 4722 | 142 | 65 | 66 | -15.4 | CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@@H]1CCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)CSCC(=O)N1 | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4792837 | 189728 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 4722 | 142 | 65 | 66 | -15.4 | CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@@H]1CCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)CSCC(=O)N1 | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4279973 | 220180 | 0 | None | -12 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
137637445 | 162583 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 1859 | 56 | 29 | 24 | -6.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
CHEMBL4059729 | 162583 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 1859 | 56 | 29 | 24 | -6.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
137642856 | 165236 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 1842 | 59 | 29 | 23 | -5.3 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
CHEMBL4090636 | 165236 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 1842 | 59 | 29 | 23 | -5.3 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
CHEMBL4279973 | 220180 | 0 | None | -12 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
162660800 | 188060 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 4316 | 115 | 64 | 61 | -18.8 | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4762187 | 188060 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 4316 | 115 | 64 | 61 | -18.8 | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
162665152 | 188982 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 4333 | 137 | 66 | 61 | -17.7 | CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4782960 | 188982 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 4333 | 137 | 66 | 61 | -17.7 | CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | ||
4612059 | 47532 | 7 | None | -1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 569 | 8 | 3 | 7 | 4.8 | COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)/C(=C\Nc3ccccc3C(=O)O)c3ccccc3C2=O)c1 | nan | ||
CHEMBL1485064 | 47532 | 7 | None | -1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 569 | 8 | 3 | 7 | 4.8 | COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)/C(=C\Nc3ccccc3C(=O)O)c3ccccc3C2=O)c1 | nan | ||
1799038 | 47246 | 11 | None | -1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 355 | 4 | 2 | 3 | 4.9 | CC(=O)C(=Nc1ccc(Cl)cc1Cl)NNc1cccc(Cl)c1 | nan | ||
CHEMBL1482637 | 47246 | 11 | None | -1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 355 | 4 | 2 | 3 | 4.9 | CC(=O)C(=Nc1ccc(Cl)cc1Cl)NNc1cccc(Cl)c1 | nan | ||
2167979 | 41589 | 10 | None | -3 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 369 | 3 | 2 | 2 | 4.2 | O=C(CC(O)(C(F)(F)F)C(F)(F)F)Nc1ccc(Cl)c(Cl)c1 | nan | ||
CHEMBL1431189 | 41589 | 10 | None | -3 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 369 | 3 | 2 | 2 | 4.2 | O=C(CC(O)(C(F)(F)F)C(F)(F)F)Nc1ccc(Cl)c(Cl)c1 | nan | ||
162656084 | 187482 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 4693 | 141 | 65 | 65 | -14.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H]1CSCC(=O)NCCC[C@@H](C(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4755581 | 187482 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 4693 | 141 | 65 | 65 | -14.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H]1CSCC(=O)NCCC[C@@H](C(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
162658668 | 187939 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 4263 | 105 | 62 | 59 | -16.2 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCC(=O)NCCCCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4760875 | 187939 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 4263 | 105 | 62 | 59 | -16.2 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCC(=O)NCCCCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c00740 | ||
135521622 | 79166 | 4 | None | -2 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 375 | 4 | 3 | 8 | 3.6 | CC(C)/N=c1\scc(-c2cccs2)n1/N=C/c1ccc(O)c(O)c1O | nan | ||
CHEMBL1986557 | 79166 | 4 | None | -2 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 375 | 4 | 3 | 8 | 3.6 | CC(C)/N=c1\scc(-c2cccs2)n1/N=C/c1ccc(O)c(O)c1O | nan | ||
3641052 | 55747 | 2 | None | -2 | 3 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 375 | 4 | 0 | 8 | 3.1 | CCn1nc([N+](=O)[O-])c(C(C#N)c2nc3ccccc3s2)c(Cl)c1=O | nan | ||
CHEMBL1560379 | 55747 | 2 | None | -2 | 3 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 375 | 4 | 0 | 8 | 3.1 | CCn1nc([N+](=O)[O-])c(C(C#N)c2nc3ccccc3s2)c(Cl)c1=O | nan | ||
CHEMBL3099725 | 217803 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)O[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | ||||
162676531 | 190325 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 4083 | 129 | 63 | 58 | -17.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4800143 | 190325 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 4083 | 129 | 63 | 58 | -17.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | ||
2836861 | 39209 | 5 | None | -2 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 368 | 9 | 1 | 4 | 3.9 | CCOC(=O)C(Cc1ccccc1)C(=O)Nc1ccc(N(CC)CC)cc1 | nan | ||
CHEMBL1411397 | 39209 | 5 | None | -2 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 368 | 9 | 1 | 4 | 3.9 | CCOC(=O)C(Cc1ccccc1)C(=O)Nc1ccc(N(CC)CC)cc1 | nan | ||
CHEMBL268200 | 217521 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||||
135521622 | 79166 | 4 | None | -2 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 375 | 4 | 3 | 8 | 3.6 | CC(C)/N=c1\scc(-c2cccs2)n1/N=C/c1ccc(O)c(O)c1O | nan | ||
CHEMBL1986557 | 79166 | 4 | None | -2 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 375 | 4 | 3 | 8 | 3.6 | CC(C)/N=c1\scc(-c2cccs2)n1/N=C/c1ccc(O)c(O)c1O | nan | ||
682797 | 56635 | 19 | None | -2 | 3 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 316 | 3 | 2 | 4 | 4.2 | Oc1ccccc1Cn1c(-c2ccccc2O)nc2ccccc21 | nan | ||
CHEMBL1567983 | 56635 | 19 | None | -2 | 3 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 316 | 3 | 2 | 4 | 4.2 | Oc1ccccc1Cn1c(-c2ccccc2O)nc2ccccc21 | nan | ||
CHEMBL4288294 | 220257 | 0 | None | 3 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4288294 | 220257 | 0 | None | 3 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
3431315 | 60409 | 6 | None | -1 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 551 | 7 | 2 | 5 | 4.7 | O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 | nan | ||
CHEMBL1602800 | 60409 | 6 | None | -1 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 551 | 7 | 2 | 5 | 4.7 | O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 | nan | ||
9700449 | 119433 | 0 | None | -2 | 3 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 356 | 10 | 2 | 5 | 4.4 | CCCOc1ccc(/C=N/Nc2ccc(C(=O)O)cc2)c(OCCC)c1 | nan | ||
CHEMBL3192204 | 119433 | 0 | None | -2 | 3 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 356 | 10 | 2 | 5 | 4.4 | CCCOc1ccc(/C=N/Nc2ccc(C(=O)O)cc2)c(OCCC)c1 | nan | ||
CHEMBL3303291 | 119433 | 0 | None | -2 | 3 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 356 | 10 | 2 | 5 | 4.4 | CCCOc1ccc(/C=N/Nc2ccc(C(=O)O)cc2)c(OCCC)c1 | nan | ||
1630995 | 57455 | 11 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 344 | 3 | 3 | 6 | 3.3 | O=C1/C(=C/c2ccc(O)c(O)c2)SC(=S)N1Nc1ccccc1 | nan | ||
CHEMBL1575649 | 57455 | 11 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 344 | 3 | 3 | 6 | 3.3 | O=C1/C(=C/c2ccc(O)c(O)c2)SC(=S)N1Nc1ccccc1 | nan | ||
CHEMBL392889 | 219239 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||||
2741548 | 32002 | 5 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 347 | 4 | 0 | 5 | 3.4 | O=C(c1ccc(F)cc1F)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 | nan | ||
CHEMBL1348298 | 32002 | 5 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 347 | 4 | 0 | 5 | 3.4 | O=C(c1ccc(F)cc1F)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 | nan | ||
1326639 | 41657 | 10 | None | -1 | 3 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 373 | 4 | 1 | 4 | 3.7 | O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 | nan | ||
CHEMBL1431891 | 41657 | 10 | None | -1 | 3 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 373 | 4 | 1 | 4 | 3.7 | O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 | nan | ||
56209 | 26266 | 27 | None | -2 | 3 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 296 | 6 | 1 | 3 | 3.5 | CCN(CC)CC(O)Cn1c2ccccc2c2ccccc21 | nan | ||
CHEMBL1299267 | 26266 | 27 | None | -2 | 3 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 296 | 6 | 1 | 3 | 3.5 | CCN(CC)CC(O)Cn1c2ccccc2c2ccccc21 | nan | ||
3260593 | 123846 | 10 | None | 1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 434 | 2 | 0 | 4 | 6.1 | Clc1ccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)cc1 | nan | ||
CHEMBL3392057 | 123846 | 10 | None | 1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 434 | 2 | 0 | 4 | 6.1 | Clc1ccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)cc1 | nan | ||
16216479 | 92299 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm061454v | ||
91936049 | 92299 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm061454v | ||
CHEMBL227456 | 92299 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm061454v | ||
16216479 | 92299 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||
91936049 | 92299 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||
CHEMBL227456 | 92299 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||
44439564 | 98561 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1cccc(N)c1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||
91936057 | 98561 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1cccc(N)c1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||
CHEMBL241105 | 98561 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1cccc(N)c1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||
44439565 | 159767 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(N)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||
91936058 | 159767 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(N)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||
CHEMBL397528 | 159767 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(N)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||
44439569 | 167963 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1766 | 55 | 29 | 24 | -5.9 | COc1cc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)ccc1N | 10.1016/j.bmcl.2006.10.007 | ||
91936061 | 167963 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1766 | 55 | 29 | 24 | -5.9 | COc1cc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)ccc1N | 10.1016/j.bmcl.2006.10.007 | ||
CHEMBL411765 | 167963 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1766 | 55 | 29 | 24 | -5.9 | COc1cc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)ccc1N | 10.1016/j.bmcl.2006.10.007 | ||
162657518 | 187890 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 4151 | 109 | 59 | 58 | -15.5 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4760247 | 187890 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 4151 | 109 | 59 | 58 | -15.5 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
137650904 | 163995 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1813 | 58 | 28 | 22 | -4.6 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
CHEMBL4076091 | 163995 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1813 | 58 | 28 | 22 | -4.6 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
162677236 | 190286 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 4735 | 142 | 65 | 65 | -13.4 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCC(=O)NCCC[C@@H](C(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4799727 | 190286 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 4735 | 142 | 65 | 65 | -13.4 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCC(=O)NCCC[C@@H](C(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL3578017 | 218547 | 0 | None | 3 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CC(=O)NC(CNC(=O)CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||||
CHEMBL3578017 | 218547 | 0 | None | 3 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CC(=O)NC(CNC(=O)CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||||
CHEMBL3099727 | 217805 | 0 | None | 30 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)O[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | ||||
162660890 | 188176 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 5078 | 155 | 69 | 69 | -13.1 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)CSCC(=O)NCCC[C@@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4763563 | 188176 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 5078 | 155 | 69 | 69 | -13.1 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)CSCC(=O)NCCC[C@@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
137651435 | 164070 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1833 | 56 | 29 | 24 | -7.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
CHEMBL4076934 | 164070 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1833 | 56 | 29 | 24 | -7.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
137634335 | 163163 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1813 | 58 | 28 | 22 | -4.6 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CO)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
CHEMBL4066409 | 163163 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1813 | 58 | 28 | 22 | -4.6 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CO)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
CHEMBL3578016 | 218546 | 0 | None | 15 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||||
CHEMBL3578016 | 218546 | 0 | None | 15 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||||
2816767 | 26675 | 6 | None | -1 | 3 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 356 | 3 | 2 | 6 | 5.1 | Nc1sc(-c2ccccc2)cc1-c1nnc(S)n1C1CCCCC1 | nan | ||
CHEMBL1302519 | 26675 | 6 | None | -1 | 3 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 356 | 3 | 2 | 6 | 5.1 | Nc1sc(-c2ccccc2)cc1-c1nnc(S)n1C1CCCCC1 | nan | ||
CHEMBL411793 | 219735 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CCCCNC(=O)CC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC1=O | 10.1016/j.bmcl.2006.10.007 | ||||
570353 | 49838 | 6 | None | -120 | 4 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 464 | 5 | 2 | 6 | 4.9 | O=C(NC(Nc1nc2ccc([N+](=O)[O-])cc2s1)(C(F)(F)F)C(F)(F)F)c1ccccc1 | nan | ||
CHEMBL1504701 | 49838 | 6 | None | -120 | 4 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 464 | 5 | 2 | 6 | 4.9 | O=C(NC(Nc1nc2ccc([N+](=O)[O-])cc2s1)(C(F)(F)F)C(F)(F)F)c1ccccc1 | nan | ||
162676301 | 190025 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 4349 | 98 | 63 | 60 | -15.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CSCC(=O)NCCCCCCCCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4796368 | 190025 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 4349 | 98 | 63 | 60 | -15.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CSCC(=O)NCCCCCCCCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
1636339 | 51110 | 17 | None | -3 | 3 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 452 | 2 | 0 | 7 | 6.2 | Cc1cc2c(cc1C)N(C(=O)CSC1=NCCS1)C(C)(C)c1ssc(=S)c1-2 | nan | ||
CHEMBL1517881 | 51110 | 17 | None | -3 | 3 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 452 | 2 | 0 | 7 | 6.2 | Cc1cc2c(cc1C)N(C(=O)CSC1=NCCS1)C(C)(C)c1ssc(=S)c1-2 | nan | ||
CHEMBL234198 | 216315 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2007.01.045 | ||||
2985425 | 62626 | 12 | None | -1 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 263 | 5 | 1 | 3 | 2.5 | Cc1ccccc1OCC(O)CN1CCC(C)CC1 | nan | ||
CHEMBL1538646 | 62626 | 12 | None | -1 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 263 | 5 | 1 | 3 | 2.5 | Cc1ccccc1OCC(O)CN1CCC(C)CC1 | nan | ||
CHEMBL1623239 | 62626 | 12 | None | -1 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 263 | 5 | 1 | 3 | 2.5 | Cc1ccccc1OCC(O)CN1CCC(C)CC1 | nan | ||
653127 | 61878 | 12 | None | -1 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 275 | 1 | 1 | 3 | 3.8 | Cc1cccc(N2CCc3c2nc2ccccc2c3N)c1 | nan | ||
CHEMBL1366633 | 61878 | 12 | None | -1 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 275 | 1 | 1 | 3 | 3.8 | Cc1cccc(N2CCc3c2nc2ccccc2c3N)c1 | nan | ||
CHEMBL1454903 | 61878 | 12 | None | -1 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 275 | 1 | 1 | 3 | 3.8 | Cc1cccc(N2CCc3c2nc2ccccc2c3N)c1 | nan | ||
CHEMBL1616892 | 61878 | 12 | None | -1 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 275 | 1 | 1 | 3 | 3.8 | Cc1cccc(N2CCc3c2nc2ccccc2c3N)c1 | nan | ||
16192803 | 54673 | 0 | None | -1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 413 | 2 | 2 | 5 | 5.0 | Cc1cccc2c(N)c3c(nc12)CCCC3.O=C(O)c1cc([N+](=O)[O-])ccc1Cl | nan | ||
CHEMBL1549309 | 54673 | 0 | None | -1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 413 | 2 | 2 | 5 | 5.0 | Cc1cccc2c(N)c3c(nc12)CCCC3.O=C(O)c1cc([N+](=O)[O-])ccc1Cl | nan | ||
44422859 | 175561 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1782 | 56 | 28 | 24 | -5.0 | CSc1ncccc1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm061454v | ||
91971091 | 175561 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1782 | 56 | 28 | 24 | -5.0 | CSc1ncccc1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm061454v | ||
CHEMBL437487 | 175561 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1782 | 56 | 28 | 24 | -5.0 | CSc1ncccc1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm061454v | ||
44439568 | 103804 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1750 | 54 | 29 | 23 | -5.6 | Cc1cc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)ccc1N | 10.1016/j.bmcl.2006.10.007 | ||
91936060 | 103804 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1750 | 54 | 29 | 23 | -5.6 | Cc1cc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)ccc1N | 10.1016/j.bmcl.2006.10.007 | ||
CHEMBL266814 | 103804 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1750 | 54 | 29 | 23 | -5.6 | Cc1cc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)ccc1N | 10.1016/j.bmcl.2006.10.007 | ||
162656381 | 187731 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 4145 | 111 | 62 | 59 | -19.4 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4758343 | 187731 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 4145 | 111 | 62 | 59 | -19.4 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
137641883 | 165118 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1641 | 52 | 25 | 19 | -3.0 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)C)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
CHEMBL4089420 | 165118 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1641 | 52 | 25 | 19 | -3.0 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)C)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
162644761 | 186187 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 4332 | 115 | 65 | 62 | -20.0 | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4740094 | 186187 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 4332 | 115 | 65 | 62 | -20.0 | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
162656295 | 187725 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 4501 | 123 | 66 | 63 | -18.1 | CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2cnc[nH]2)CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4758230 | 187725 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 4501 | 123 | 66 | 63 | -18.1 | CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2cnc[nH]2)CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
137632601 | 163116 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1824 | 57 | 29 | 24 | -8.3 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
CHEMBL4065791 | 163116 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1824 | 57 | 29 | 24 | -8.3 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | ||
137635909 | 162733 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1675 | 52 | 25 | 19 | -2.3 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
CHEMBL4061266 | 162733 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1675 | 52 | 25 | 19 | -2.3 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
137635521 | 162915 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1884 | 60 | 29 | 23 | -5.1 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
CHEMBL4063520 | 162915 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1884 | 60 | 29 | 23 | -5.1 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
162660800 | 188060 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 4316 | 115 | 64 | 61 | -18.8 | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4762187 | 188060 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 4316 | 115 | 64 | 61 | -18.8 | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
162656632 | 187714 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 5008 | 155 | 68 | 69 | -13.8 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCC(=O)NCCC[C@@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4758123 | 187714 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 5008 | 155 | 68 | 69 | -13.8 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCC(=O)NCCC[C@@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL2324952 | 216308 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N(C(=O)CCCCCN)C(=O)[C@]1(C)CCC/C=C\CCC[C@](C)(NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2012.10.026 | ||||
CHEMBL397527 | 219286 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||||
162669445 | 189494 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 4966 | 154 | 68 | 69 | -14.6 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H]1CSCC(=O)NCCC[C@@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4789614 | 189494 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 4966 | 154 | 68 | 69 | -14.6 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H]1CSCC(=O)NCCC[C@@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4277676 | 220154 | 0 | None | 31 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4282168 | 220208 | 0 | None | 158 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4283257 | 220216 | 0 | None | 158 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
162669674 | 189445 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 5149 | 157 | 69 | 70 | -13.6 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)CSCC(=O)NCCN(C(=O)CCC(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4789020 | 189445 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 5149 | 157 | 69 | 70 | -13.6 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)CSCC(=O)NCCN(C(=O)CCC(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
162664681 | 188980 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 4064 | 131 | 63 | 58 | -19.4 | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4782903 | 188980 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 4064 | 131 | 63 | 58 | -19.4 | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | ||
162669097 | 189371 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 4232 | 115 | 63 | 60 | -19.8 | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4788084 | 189371 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 4232 | 115 | 63 | 60 | -19.8 | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4277676 | 220154 | 0 | None | 31 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4282168 | 220208 | 0 | None | 158 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4283257 | 220216 | 0 | None | 158 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
137648110 | 164469 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1813 | 58 | 28 | 22 | -4.6 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CO)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
CHEMBL4081798 | 164469 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1813 | 58 | 28 | 22 | -4.6 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CO)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
16192803 | 54673 | 0 | None | -1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 413 | 2 | 2 | 5 | 5.0 | Cc1cccc2c(N)c3c(nc12)CCCC3.O=C(O)c1cc([N+](=O)[O-])ccc1Cl | nan | ||
CHEMBL1549309 | 54673 | 0 | None | -1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 413 | 2 | 2 | 5 | 5.0 | Cc1cccc2c(N)c3c(nc12)CCCC3.O=C(O)c1cc([N+](=O)[O-])ccc1Cl | nan | ||
44439566 | 175539 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 1721 | 54 | 28 | 22 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||
91936059 | 175539 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 1721 | 54 | 28 | 22 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||
CHEMBL437290 | 175539 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 1721 | 54 | 28 | 22 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||
CHEMBL428017 | 220181 | 17 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2007.01.045 | ||||
162660652 | 188078 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 4151 | 111 | 62 | 59 | -19.0 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H]1CSCC(=O)NCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4762366 | 188078 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 4151 | 111 | 62 | 59 | -19.0 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H]1CSCC(=O)NCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
162669365 | 189545 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 4053 | 128 | 62 | 57 | -17.0 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4790236 | 189545 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 4053 | 128 | 62 | 57 | -17.0 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | ||
137649292 | 164033 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 1726 | 55 | 26 | 20 | -3.1 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
CHEMBL4076542 | 164033 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 1726 | 55 | 26 | 20 | -3.1 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | ||
162670263 | 189436 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 4178 | 132 | 65 | 60 | -19.2 | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4788908 | 189436 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 4178 | 132 | 65 | 60 | -19.2 | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL3099723 | 217801 | 0 | None | 2 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | ||||
3562031 | 57149 | 15 | None | 1 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 445 | 4 | 2 | 3 | 4.1 | O=C(Nc1ccc(Cl)cc1Cl)NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 | nan | ||
CHEMBL1572588 | 57149 | 15 | None | 1 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 445 | 4 | 2 | 3 | 4.1 | O=C(Nc1ccc(Cl)cc1Cl)NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 | nan | ||
2405497 | 35156 | 7 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 431 | 5 | 2 | 5 | 5.9 | Nc1c(-c2ccccc2)c(CSc2nc3ccccc3[nH]2)nn1-c1ccc(Cl)cc1 | nan | ||
CHEMBL1374954 | 35156 | 7 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 431 | 5 | 2 | 5 | 5.9 | Nc1c(-c2ccccc2)c(CSc2nc3ccccc3[nH]2)nn1-c1ccc(Cl)cc1 | nan | ||
162663460 | 188715 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 3960 | 125 | 59 | 56 | -16.2 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4779809 | 188715 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 3960 | 125 | 59 | 56 | -16.2 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | ||
1078087 | 34898 | 41 | None | -1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 220 | 2 | 2 | 3 | 2.1 | Cc1c(C(=O)O)[nH]c2ccc([N+](=O)[O-])cc12 | nan | ||
CHEMBL1373205 | 34898 | 41 | None | -1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 220 | 2 | 2 | 3 | 2.1 | Cc1c(C(=O)O)[nH]c2ccc([N+](=O)[O-])cc12 | nan | ||
162643447 | 188465 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 5079 | 157 | 68 | 70 | -14.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCC(=O)NCCN(C(=O)CCC(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCNC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4776525 | 188465 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 5079 | 157 | 68 | 70 | -14.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCC(=O)NCCN(C(=O)CCC(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCNC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4280392 | 220185 | 0 | None | 25 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4281010 | 220192 | 0 | None | 63 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4285633 | 220236 | 0 | None | 6 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4280392 | 220185 | 0 | None | 25 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4281010 | 220192 | 0 | None | 63 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4285633 | 220236 | 0 | None | 6 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
162643914 | 188541 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 3983 | 125 | 59 | 56 | -15.1 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4777617 | 188541 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 3983 | 125 | 59 | 56 | -15.1 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | ||
2185441 | 26602 | 9 | None | -1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 443 | 6 | 2 | 7 | 5.2 | CCn1c(SCC(=O)Nc2ccc3c(c2)oc2ccccc23)nnc1-c1ccc(N)cc1 | nan | ||
CHEMBL1301994 | 26602 | 9 | None | -1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 443 | 6 | 2 | 7 | 5.2 | CCn1c(SCC(=O)Nc2ccc3c(c2)oc2ccccc23)nnc1-c1ccc(N)cc1 | nan | ||
162654961 | 187406 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 4011 | 126 | 62 | 57 | -17.9 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4754791 | 187406 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 4011 | 126 | 62 | 57 | -17.9 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | ||
162656239 | 187605 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 3984 | 125 | 60 | 57 | -17.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4756925 | 187605 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 3984 | 125 | 60 | 57 | -17.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | ||
162665854 | 189020 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 4194 | 101 | 60 | 59 | -16.5 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CSCC(=O)NCCCCCCCNC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4783505 | 189020 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 4194 | 101 | 60 | 59 | -16.5 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CSCC(=O)NCCCCCCCNC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
162673369 | 189790 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 4165 | 111 | 62 | 59 | -18.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H]1CSCC(=O)NCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4793702 | 189790 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 4165 | 111 | 62 | 59 | -18.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H]1CSCC(=O)NCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL3099726 | 217804 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | ||||
44439570 | 159769 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1742 | 54 | 29 | 23 | -6.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1CCCC(N)C1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||
91936054 | 159769 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1742 | 54 | 29 | 23 | -6.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1CCCC(N)C1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||
CHEMBL397529 | 159769 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1742 | 54 | 29 | 23 | -6.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1CCCC(N)C1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||
2803877 | 27806 | 5 | None | -1 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 497 | 7 | 3 | 6 | 5.6 | O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCN=C(S)Nc1ccc(Cl)c(Cl)c1 | nan | ||
CHEMBL1311742 | 27806 | 5 | None | -1 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 497 | 7 | 3 | 6 | 5.6 | O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCN=C(S)Nc1ccc(Cl)c(Cl)c1 | nan | ||
2803877 | 27806 | 5 | None | -1 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 497 | 7 | 3 | 6 | 5.6 | O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCN=C(S)Nc1ccc(Cl)c(Cl)c1 | nan | ||
CHEMBL1311742 | 27806 | 5 | None | -1 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 497 | 7 | 3 | 6 | 5.6 | O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCN=C(S)Nc1ccc(Cl)c(Cl)c1 | nan | ||
1206899 | 57279 | 18 | None | -1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 174 | 1 | 2 | 5 | 1.0 | N#Cc1c(Cl)nsc1NN | nan | ||
CHEMBL1573719 | 57279 | 18 | None | -1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 174 | 1 | 2 | 5 | 1.0 | N#Cc1c(Cl)nsc1NN | nan | ||
CHEMBL2110365 | 215992 | 4 | None | -102 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm010031k | ||||
5710119 | 114780 | 9 | None | -1 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 283 | 4 | 1 | 4 | 3.5 | N#C/C(=N\Nc1ccc(Cl)cc1)C(=O)c1ccccc1 | nan | ||
CHEMBL3194195 | 114780 | 9 | None | -1 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 283 | 4 | 1 | 4 | 3.5 | N#C/C(=N\Nc1ccc(Cl)cc1)C(=O)c1ccccc1 | nan | ||
162651924 | 187134 | 0 | None | -20 | 4 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 5195 | 171 | 80 | 72 | -22.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | ||
CHEMBL4751466 | 187134 | 0 | None | -20 | 4 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 5195 | 171 | 80 | 72 | -22.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | ||
10324083 | 8928 | 31 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2003.12.057 | ||
3504 | 8928 | 31 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2003.12.057 | ||
CHEMBL21283 | 8928 | 31 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2003.12.057 | ||
972422 | 60470 | 10 | None | -1 | 2 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 314 | 3 | 2 | 3 | 3.9 | Cc1ccc(NC(S)=NCc2ccc3c(c2)OCO3)cc1C | nan | ||
CHEMBL1603366 | 60470 | 10 | None | -1 | 2 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 314 | 3 | 2 | 3 | 3.9 | Cc1ccc(NC(S)=NCc2ccc3c(c2)OCO3)cc1C | nan | ||
2744454 | 43094 | 17 | None | -1 | 3 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 314 | 3 | 1 | 3 | 4.7 | O=C(Nc1ccc(Cl)cc1)c1csc(-c2ccccc2)n1 | nan | ||
CHEMBL1446166 | 43094 | 17 | None | -1 | 3 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 314 | 3 | 1 | 3 | 4.7 | O=C(Nc1ccc(Cl)cc1)c1csc(-c2ccccc2)n1 | nan | ||
2311088 | 62424 | 4 | None | -2 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 387 | 3 | 0 | 2 | 5.2 | COc1ccc(-[n+]2c(-c3ccc(Cl)cc3)cn3c2CCc2ccccc2-3)cc1 | nan | ||
CHEMBL1457690 | 62424 | 4 | None | -2 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 387 | 3 | 0 | 2 | 5.2 | COc1ccc(-[n+]2c(-c3ccc(Cl)cc3)cn3c2CCc2ccccc2-3)cc1 | nan | ||
CHEMBL1621585 | 62424 | 4 | None | -2 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 387 | 3 | 0 | 2 | 5.2 | COc1ccc(-[n+]2c(-c3ccc(Cl)cc3)cn3c2CCc2ccccc2-3)cc1 | nan | ||
4896972 | 31227 | 9 | None | -1 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 457 | 5 | 1 | 6 | 4.6 | Cc1ccc(-c2nn3c(C)nnc3c3ccccc23)cc1S(=O)(=O)NC(C)c1ccccc1 | nan | ||
CHEMBL1341841 | 31227 | 9 | None | -1 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 457 | 5 | 1 | 6 | 4.6 | Cc1ccc(-c2nn3c(C)nnc3c3ccccc23)cc1S(=O)(=O)NC(C)c1ccccc1 | nan | ||
70694148 | 81412 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 486 | 5 | 2 | 3 | 5.9 | OC(c1ccccc1)(c1ccccc1)C1CCN(C(=S)Nc2ccc(OC(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2029961 | 81412 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 486 | 5 | 2 | 3 | 5.9 | OC(c1ccccc1)(c1ccccc1)C1CCN(C(=S)Nc2ccc(OC(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2012.04.107 | ||
1504749 | 36138 | 12 | None | 1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 308 | 4 | 1 | 6 | 2.5 | Cc1ccc(COC(=O)c2nn(-c3ccccc3)nc2N)cc1 | nan | ||
CHEMBL1383610 | 36138 | 12 | None | 1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 308 | 4 | 1 | 6 | 2.5 | Cc1ccc(COC(=O)c2nn(-c3ccccc3)nc2N)cc1 | nan | ||
1490113 | 38734 | 18 | None | -1 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 446 | 4 | 0 | 4 | 5.6 | Cc1c(OCc2c(F)cccc2Cl)c(=O)ccn1-c1ncc(C(F)(F)F)cc1Cl | nan | ||
CHEMBL1407634 | 38734 | 18 | None | -1 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 446 | 4 | 0 | 4 | 5.6 | Cc1c(OCc2c(F)cccc2Cl)c(=O)ccn1-c1ncc(C(F)(F)F)cc1Cl | nan | ||
2936750 | 34476 | 11 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 432 | 5 | 2 | 3 | 5.0 | COc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL1370218 | 34476 | 11 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 432 | 5 | 2 | 3 | 5.0 | COc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
972410 | 62423 | 10 | None | -1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 325 | 4 | 1 | 2 | 4.7 | CC(C)(C)NCc1cc(Br)ccc1OC1CCCC1 | nan | ||
CHEMBL1458887 | 62423 | 10 | None | -1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 325 | 4 | 1 | 2 | 4.7 | CC(C)(C)NCc1cc(Br)ccc1OC1CCCC1 | nan | ||
CHEMBL1621543 | 62423 | 10 | None | -1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 325 | 4 | 1 | 2 | 4.7 | CC(C)(C)NCc1cc(Br)ccc1OC1CCCC1 | nan | ||
2313223 | 62692 | 2 | None | -1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 353 | 3 | 0 | 2 | 4.5 | COc1ccccc1-n1c(-c2ccccc2)c[n+]2c1CCc1ccccc1-2 | nan | ||
CHEMBL1525599 | 62692 | 2 | None | -1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 353 | 3 | 0 | 2 | 4.5 | COc1ccccc1-n1c(-c2ccccc2)c[n+]2c1CCc1ccccc1-2 | nan | ||
CHEMBL1623694 | 62692 | 2 | None | -1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 353 | 3 | 0 | 2 | 4.5 | COc1ccccc1-n1c(-c2ccccc2)c[n+]2c1CCc1ccccc1-2 | nan | ||
70696288 | 81439 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 535 | 6 | 2 | 4 | 4.8 | O=S(=O)(c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1)N1CCCC1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030157 | 81439 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 535 | 6 | 2 | 4 | 4.8 | O=S(=O)(c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1)N1CCCC1 | 10.1016/j.bmcl.2012.04.107 | ||
66561565 | 81461 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 522 | 8 | 1 | 5 | 4.9 | CCN(CC)S(=O)(=O)c1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030189 | 81461 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 522 | 8 | 1 | 5 | 4.9 | CCN(CC)S(=O)(=O)c1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
3236979 | 38340 | 9 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 415 | 7 | 1 | 6 | 4.6 | COc1cccc(-c2nc(-c3ccc(NC(=O)Cc4ccccc4OC)cc3)no2)c1 | 10.1016/j.bmcl.2013.11.061 | ||
CHEMBL1404069 | 38340 | 9 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 415 | 7 | 1 | 6 | 4.6 | COc1cccc(-c2nc(-c3ccc(NC(=O)Cc4ccccc4OC)cc3)no2)c1 | 10.1016/j.bmcl.2013.11.061 | ||
3236979 | 38340 | 9 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 415 | 7 | 1 | 6 | 4.6 | COc1cccc(-c2nc(-c3ccc(NC(=O)Cc4ccccc4OC)cc3)no2)c1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL1404069 | 38340 | 9 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 415 | 7 | 1 | 6 | 4.6 | COc1cccc(-c2nc(-c3ccc(NC(=O)Cc4ccccc4OC)cc3)no2)c1 | 10.1016/j.bmcl.2012.04.107 | ||
70683658 | 81300 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 471 | 5 | 2 | 3 | 5.6 | OC(c1ccccc1)(c1ccccc1)C1CCN(C(=S)Nc2ccc(N3CCCC3)cc2)CC1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2029356 | 81300 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 471 | 5 | 2 | 3 | 5.6 | OC(c1ccccc1)(c1ccccc1)C1CCN(C(=S)Nc2ccc(N3CCCC3)cc2)CC1 | 10.1016/j.bmcl.2012.04.107 | ||
2182602 | 62494 | 4 | None | -1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 361 | 8 | 0 | 2 | 5.0 | Cc1ccc(OCCCCN(C)Cc2ccccc2)c(Br)c1 | nan | ||
CHEMBL1483730 | 62494 | 4 | None | -1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 361 | 8 | 0 | 2 | 5.0 | Cc1ccc(OCCCCN(C)Cc2ccccc2)c(Br)c1 | nan | ||
CHEMBL1622175 | 62494 | 4 | None | -1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 361 | 8 | 0 | 2 | 5.0 | Cc1ccc(OCCCCN(C)Cc2ccccc2)c(Br)c1 | nan | ||
70687925 | 81440 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 509 | 7 | 3 | 4 | 4.3 | CCNS(=O)(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030158 | 81440 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 509 | 7 | 3 | 4 | 4.3 | CCNS(=O)(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
1460705 | 62279 | 4 | None | -1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 326 | 3 | 1 | 2 | 4.4 | CC1=CC(C)(C)N(C(=O)CNC2CCCCC2)c2cc(C)ccc21 | nan | ||
CHEMBL1414494 | 62279 | 4 | None | -1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 326 | 3 | 1 | 2 | 4.4 | CC1=CC(C)(C)N(C(=O)CNC2CCCCC2)c2cc(C)ccc21 | nan | ||
CHEMBL1620238 | 62279 | 4 | None | -1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 326 | 3 | 1 | 2 | 4.4 | CC1=CC(C)(C)N(C(=O)CNC2CCCCC2)c2cc(C)ccc21 | nan | ||
3361119 | 57946 | 11 | None | 2 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 378 | 3 | 0 | 4 | 4.1 | Cc1cccc(CSC2=NCCN2C(=O)c2ccc(Br)o2)c1 | nan | ||
CHEMBL1579872 | 57946 | 11 | None | 2 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 378 | 3 | 0 | 4 | 4.1 | Cc1cccc(CSC2=NCCN2C(=O)c2ccc(Br)o2)c1 | nan | ||
9550576 | 37336 | 7 | None | -2 | 3 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 3.6 | Cc1ccccc1C(=O)c1cccn1CC(=O)NCCN1CCN(c2cccc(C)c2C)CC1 | nan | ||
CHEMBL1393538 | 37336 | 7 | None | -2 | 3 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 3.6 | Cc1ccccc1C(=O)c1cccn1CC(=O)NCCN1CCN(c2cccc(C)c2C)CC1 | nan | ||
11958626 | 37048 | 0 | None | 1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 352 | 8 | 2 | 5 | 3.3 | CCCCNC(=O)c1onc(CSc2ccccc2F)c1C(=O)O | nan | ||
CHEMBL1391119 | 37048 | 0 | None | 1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 352 | 8 | 2 | 5 | 3.3 | CCCCNC(=O)c1onc(CSc2ccccc2F)c1C(=O)O | nan | ||
70685806 | 81448 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 464 | 6 | 2 | 3 | 5.6 | CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c(F)c1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030169 | 81448 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 464 | 6 | 2 | 3 | 5.6 | CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c(F)c1 | 10.1016/j.bmcl.2012.04.107 | ||
70681546 | 81438 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 537 | 8 | 2 | 4 | 5.1 | CCN(CC)S(=O)(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030156 | 81438 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 537 | 8 | 2 | 4 | 5.1 | CCN(CC)S(=O)(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
650606 | 56047 | 12 | None | -1 | 4 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 481 | 8 | 1 | 7 | 4.1 | O=C(CN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nc2ccccc2o1)NC1CCCCC1 | nan | ||
CHEMBL1563162 | 56047 | 12 | None | -1 | 4 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 481 | 8 | 1 | 7 | 4.1 | O=C(CN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nc2ccccc2o1)NC1CCCCC1 | nan | ||
44517723 | 201661 | 0 | None | -5 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 581 | 8 | 1 | 4 | 6.0 | COc1ccc([C@H](N[C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCC4)(c4ccccc4)CC3)C(C)(C)C2)C(F)F)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL540466 | 201661 | 0 | None | -5 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 581 | 8 | 1 | 4 | 6.0 | COc1ccc([C@H](N[C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCC4)(c4ccccc4)CC3)C(C)(C)C2)C(F)F)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
70692113 | 81464 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 465 | 5 | 1 | 5 | 4.2 | CS(=O)(=O)c1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030191 | 81464 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 465 | 5 | 1 | 5 | 4.2 | CS(=O)(=O)c1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
1780041 | 35466 | 17 | None | -1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 338 | 6 | 0 | 6 | 4.0 | Clc1ccc(OCCSc2nnnn2C2CCCCC2)cc1 | nan | ||
CHEMBL1377743 | 35466 | 17 | None | -1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 338 | 6 | 0 | 6 | 4.0 | Clc1ccc(OCCSc2nnnn2C2CCCCC2)cc1 | nan | ||
70696286 | 81433 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 459 | 5 | 3 | 3 | 4.4 | CNC(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030151 | 81433 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 459 | 5 | 3 | 3 | 4.4 | CNC(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
1141823 | 35618 | 5 | None | -2 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 422 | 6 | 2 | 4 | 4.8 | Cc1cccc(N=C(S)N(CCN(C)C)Cc2cc3cc(C)cc(C)c3nc2O)c1 | nan | ||
CHEMBL1379143 | 35618 | 5 | None | -2 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 422 | 6 | 2 | 4 | 4.8 | Cc1cccc(N=C(S)N(CCN(C)C)Cc2cc3cc(C)cc(C)c3nc2O)c1 | nan | ||
659248 | 201151 | 10 | None | -1 | 3 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 258 | 5 | 1 | 2 | 3.5 | CCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 | nan | ||
CHEMBL528708 | 201151 | 10 | None | -1 | 3 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 258 | 5 | 1 | 2 | 3.5 | CCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 | nan | ||
CHEMBL530291 | 201151 | 10 | None | -1 | 3 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 258 | 5 | 1 | 2 | 3.5 | CCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 | nan | ||
1915932 | 32246 | 6 | None | 1 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 412 | 5 | 1 | 4 | 5.1 | CC(C)OC(=O)/C(=C/c1ccc2c(c1)c1ccccc1n2C)NC(=O)c1ccccc1 | nan | ||
CHEMBL1350415 | 32246 | 6 | None | 1 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 412 | 5 | 1 | 4 | 5.1 | CC(C)OC(=O)/C(=C/c1ccc2c(c1)c1ccccc1n2C)NC(=O)c1ccccc1 | nan | ||
1481087 | 36583 | 16 | None | -1 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 328 | 4 | 1 | 4 | 4.7 | O=C(Nc1ccccc1)OCc1cc(-c2ccccc2Cl)on1 | nan | ||
CHEMBL1387309 | 36583 | 16 | None | -1 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 328 | 4 | 1 | 4 | 4.7 | O=C(Nc1ccccc1)OCc1cc(-c2ccccc2Cl)on1 | nan | ||
2940376 | 53483 | 10 | None | -1 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 496 | 10 | 1 | 8 | 4.0 | COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN2CCCCC2)c(OC)c1 | nan | ||
CHEMBL1539256 | 53483 | 10 | None | -1 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 496 | 10 | 1 | 8 | 4.0 | COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN2CCCCC2)c(OC)c1 | nan | ||
1505224 | 40123 | 12 | None | -3 | 3 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 392 | 5 | 2 | 9 | 2.1 | COC(=O)c1ccccc1NC(=O)Cn1c(-c2nonc2N)nc2ccccc21 | nan | ||
CHEMBL1419096 | 40123 | 12 | None | -3 | 3 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 392 | 5 | 2 | 9 | 2.1 | COC(=O)c1ccccc1NC(=O)Cn1c(-c2nonc2N)nc2ccccc21 | nan | ||
860841 | 42341 | 7 | None | -1 | 3 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 327 | 3 | 0 | 6 | 3.7 | Clc1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1 | nan | ||
CHEMBL1439255 | 42341 | 7 | None | -1 | 3 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 327 | 3 | 0 | 6 | 3.7 | Clc1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1 | nan | ||
2235311 | 50207 | 9 | None | -1 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 461 | 7 | 0 | 4 | 6.4 | O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)OCc1ccc(Br)cc1 | nan | ||
CHEMBL1507807 | 50207 | 9 | None | -1 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 461 | 7 | 0 | 4 | 6.4 | O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)OCc1ccc(Br)cc1 | nan | ||
4140078 | 32622 | 12 | None | 2 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 377 | 4 | 0 | 4 | 4.6 | Cc1cccc(-n2ccnc2SCC(=O)N2CCCc3ccccc32)c1C | nan | ||
CHEMBL1353428 | 32622 | 12 | None | 2 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 377 | 4 | 0 | 4 | 4.6 | Cc1cccc(-n2ccnc2SCC(=O)N2CCCc3ccccc32)c1C | nan | ||
70683662 | 81459 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 431 | 6 | 1 | 4 | 5.2 | CCOc1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030187 | 81459 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 431 | 6 | 1 | 4 | 5.2 | CCOc1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL439904 | 220633 | 13 | None | 72 | 4 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | ||||
714054 | 29511 | 9 | None | -2 | 4 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 331 | 4 | 0 | 5 | 4.2 | N#Cc1nc(COc2ccc(Cl)cc2)oc1N1CCCCCC1 | nan | ||
CHEMBL1327690 | 29511 | 9 | None | -2 | 4 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 331 | 4 | 0 | 5 | 4.2 | N#Cc1nc(COc2ccc(Cl)cc2)oc1N1CCCCCC1 | nan | ||
9651051 | 115896 | 5 | None | 1 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 334 | 7 | 1 | 6 | 2.1 | CCCCC(=O)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 | nan | ||
CHEMBL3213775 | 115896 | 5 | None | 1 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 334 | 7 | 1 | 6 | 2.1 | CCCCC(=O)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 | nan | ||
3340390 | 36364 | 9 | None | 6 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 528 | 14 | 0 | 2 | 7.7 | O=P(CCCCCCCCCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL1385608 | 36364 | 9 | None | 6 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 528 | 14 | 0 | 2 | 7.7 | O=P(CCCCCCCCCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 | nan | ||
2085549 | 60201 | 6 | None | -1 | 3 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 357 | 5 | 0 | 7 | 5.2 | c1ccc(-c2nc(CSc3nnc(-c4cccs4)o3)cs2)cc1 | nan | ||
CHEMBL1600727 | 60201 | 6 | None | -1 | 3 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 357 | 5 | 0 | 7 | 5.2 | c1ccc(-c2nc(CSc3nnc(-c4cccs4)o3)cs2)cc1 | nan | ||
2385257 | 48615 | 5 | None | -3 | 3 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 444 | 7 | 1 | 5 | 5.9 | CCc1cccc(CC)c1NC(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1 | nan | ||
CHEMBL1493500 | 48615 | 5 | None | -3 | 3 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 444 | 7 | 1 | 5 | 5.9 | CCc1cccc(CC)c1NC(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1 | nan | ||
667608 | 61872 | 10 | None | -1 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 299 | 4 | 0 | 3 | 4.3 | CN1CCC(Oc2ccccc2Sc2ccccc2)CC1 | nan | ||
CHEMBL1364371 | 61872 | 10 | None | -1 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 299 | 4 | 0 | 3 | 4.3 | CN1CCC(Oc2ccccc2Sc2ccccc2)CC1 | nan | ||
CHEMBL1616825 | 61872 | 10 | None | -1 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 299 | 4 | 0 | 3 | 4.3 | CN1CCC(Oc2ccccc2Sc2ccccc2)CC1 | nan | ||
70685785 | 81411 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 460 | 6 | 2 | 3 | 5.8 | CC(C)Oc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2029960 | 81411 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 460 | 6 | 2 | 3 | 5.8 | CC(C)Oc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
17312686 | 81428 | 2 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 470 | 4 | 2 | 2 | 6.1 | OC(c1ccccc1)(c1ccccc1)C1CCN(C(=S)Nc2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030146 | 81428 | 2 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 470 | 4 | 2 | 2 | 6.1 | OC(c1ccccc1)(c1ccccc1)C1CCN(C(=S)Nc2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2012.04.107 | ||
865459 | 32186 | 5 | None | -1 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 244 | 3 | 0 | 4 | 3.2 | CCSc1nc2ccc(OC)cc2cc1C#N | nan | ||
CHEMBL1349920 | 32186 | 5 | None | -1 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 244 | 3 | 0 | 4 | 3.2 | CCSc1nc2ccc(OC)cc2cc1C#N | nan | ||
162658382 | 187813 | 0 | None | 1 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 5831 | 196 | 92 | 80 | -23.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | ||
CHEMBL4759334 | 187813 | 0 | None | 1 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 5831 | 196 | 92 | 80 | -23.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | ||
1998473 | 36481 | 11 | None | -2 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 313 | 6 | 0 | 4 | 3.7 | CN(C)CCCSc1nc(-c2ccccc2)nc2c1CCC2 | nan | ||
CHEMBL1386511 | 36481 | 11 | None | -2 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 313 | 6 | 0 | 4 | 3.7 | CN(C)CCCSc1nc(-c2ccccc2)nc2c1CCC2 | nan | ||
2948077 | 31266 | 17 | None | -1 | 3 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 327 | 4 | 0 | 6 | 3.6 | O=C(CSc1nc2ccccc2o1)c1ccc2c(c1)OCCO2 | nan | ||
CHEMBL1342128 | 31266 | 17 | None | -1 | 3 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 327 | 4 | 0 | 6 | 3.6 | O=C(CSc1nc2ccccc2o1)c1ccc2c(c1)OCCO2 | nan | ||
66561564 | 81437 | 34 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 509 | 6 | 2 | 4 | 4.3 | CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030155 | 81437 | 34 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 509 | 6 | 2 | 4 | 4.3 | CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
2936384 | 53965 | 45 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 446 | 6 | 2 | 3 | 5.4 | CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2013.11.061 | ||
CHEMBL1543306 | 53965 | 45 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 446 | 6 | 2 | 3 | 5.4 | CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2013.11.061 | ||
2936384 | 53965 | 45 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 446 | 6 | 2 | 3 | 5.4 | CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL1543306 | 53965 | 45 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 446 | 6 | 2 | 3 | 5.4 | CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
4876785 | 50624 | 7 | None | 1 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 442 | 5 | 2 | 7 | 2.8 | COc1ccc(NC(=O)c2nnc(O)c3ccccc23)cc1S(=O)(=O)N1CCCCC1 | nan | ||
CHEMBL1511420 | 50624 | 7 | None | 1 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 442 | 5 | 2 | 7 | 2.8 | COc1ccc(NC(=O)c2nnc(O)c3ccccc23)cc1S(=O)(=O)N1CCCCC1 | nan | ||
2169010 | 58653 | 11 | None | 4 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 377 | 10 | 1 | 4 | 4.6 | COc1ccccc1CCNCc1ccc(OC)c(OCc2ccccc2)c1 | nan | ||
CHEMBL1585652 | 58653 | 11 | None | 4 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 377 | 10 | 1 | 4 | 4.6 | COc1ccccc1CCNCc1ccc(OC)c(OCc2ccccc2)c1 | nan | ||
2015090 | 27790 | 19 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 394 | 4 | 1 | 4 | 4.5 | CC(/C=C1\SC(=S)N(NC(=O)c2ccc(C)cc2)C1=O)=C\c1ccccc1 | nan | ||
CHEMBL1311646 | 27790 | 19 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 394 | 4 | 1 | 4 | 4.5 | CC(/C=C1\SC(=S)N(NC(=O)c2ccc(C)cc2)C1=O)=C\c1ccccc1 | nan | ||
70696287 | 81434 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 473 | 6 | 3 | 3 | 4.8 | CCNC(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030152 | 81434 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 473 | 6 | 3 | 3 | 4.8 | CCNC(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
2945439 | 81432 | 11 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 474 | 6 | 2 | 4 | 5.2 | CCOC(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030150 | 81432 | 11 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 474 | 6 | 2 | 4 | 5.2 | CCOC(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
70687929 | 81466 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 486 | 7 | 1 | 4 | 5.3 | CCN(CC)C(=O)c1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030193 | 81466 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 486 | 7 | 1 | 4 | 5.3 | CCN(CC)C(=O)c1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
2936384 | 53965 | 45 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 446 | 6 | 2 | 3 | 5.4 | CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
CHEMBL1543306 | 53965 | 45 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 446 | 6 | 2 | 3 | 5.4 | CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
1618379 | 36891 | 12 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 378 | 2 | 3 | 3 | 4.2 | Cc1ccc(N=C(S)N=C(N)Nc2nc(C)c3cc(C)ccc3n2)c(C)c1 | nan | ||
5554096 | 36891 | 12 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 378 | 2 | 3 | 3 | 4.2 | Cc1ccc(N=C(S)N=C(N)Nc2nc(C)c3cc(C)ccc3n2)c(C)c1 | nan | ||
CHEMBL1389702 | 36891 | 12 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 378 | 2 | 3 | 3 | 4.2 | Cc1ccc(N=C(S)N=C(N)Nc2nc(C)c3cc(C)ccc3n2)c(C)c1 | nan | ||
70687926 | 81443 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 474 | 6 | 2 | 4 | 5.2 | CCOC(=O)c1cccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030161 | 81443 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 474 | 6 | 2 | 4 | 5.2 | CCOC(=O)c1cccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1 | 10.1016/j.bmcl.2012.04.107 | ||
652510 | 62969 | 3 | None | -30 | 3 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 386 | 6 | 0 | 6 | 3.8 | CC(C)CC(c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1 | nan | ||
CHEMBL1609320 | 62969 | 3 | None | -30 | 3 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 386 | 6 | 0 | 6 | 3.8 | CC(C)CC(c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1 | nan | ||
CHEMBL1626306 | 62969 | 3 | None | -30 | 3 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 386 | 6 | 0 | 6 | 3.8 | CC(C)CC(c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1 | nan | ||
70681552 | 81454 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 515 | 6 | 2 | 5 | 4.3 | CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccsc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030180 | 81454 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 515 | 6 | 2 | 5 | 4.3 | CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccsc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
162653062 | 187190 | 0 | None | -10 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 6186 | 203 | 96 | 84 | -24.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | ||
CHEMBL4752195 | 187190 | 0 | None | -10 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 6186 | 203 | 96 | 84 | -24.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | ||
11958496 | 54760 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 390 | 7 | 2 | 6 | 3.2 | Cc1ccc(C)c(SCc2noc(C(=O)NCC3CCCO3)c2C(=O)O)c1 | nan | ||
CHEMBL1550015 | 54760 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 390 | 7 | 2 | 6 | 3.2 | Cc1ccc(C)c(SCc2noc(C(=O)NCC3CCCO3)c2C(=O)O)c1 | nan | ||
70687928 | 81458 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 417 | 5 | 1 | 4 | 4.8 | COc1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030186 | 81458 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 417 | 5 | 1 | 4 | 4.8 | COc1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
70683659 | 81431 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 485 | 5 | 2 | 3 | 6.0 | OC(c1ccccc1)(c1ccccc1)C1CCN(C(=S)Nc2ccc(N3CCCCC3)cc2)CC1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030149 | 81431 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 485 | 5 | 2 | 3 | 6.0 | OC(c1ccccc1)(c1ccccc1)C1CCN(C(=S)Nc2ccc(N3CCCCC3)cc2)CC1 | 10.1016/j.bmcl.2012.04.107 | ||
5290139 | 29738 | 12 | None | 2 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 496 | 11 | 2 | 10 | 4.6 | CCOC(=O)CCCCC(=O)c1[nH]c(O)nc1CSc1nnc2c3ccccc3n(C(C)C)c2n1 | nan | ||
CHEMBL1329549 | 29738 | 12 | None | 2 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 496 | 11 | 2 | 10 | 4.6 | CCOC(=O)CCCCC(=O)c1[nH]c(O)nc1CSc1nnc2c3ccccc3n(C(C)C)c2n1 | nan | ||
4525145 | 62412 | 5 | None | -72 | 3 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 365 | 3 | 0 | 3 | 5.5 | CC[n+]1c(/C=C2\SC(c3ccccc3C)=CN2C)sc2ccccc21 | nan | ||
6140197 | 62412 | 5 | None | -72 | 3 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 365 | 3 | 0 | 3 | 5.5 | CC[n+]1c(/C=C2\SC(c3ccccc3C)=CN2C)sc2ccccc21 | nan | ||
73945770 | 62412 | 5 | None | -72 | 3 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 365 | 3 | 0 | 3 | 5.5 | CC[n+]1c(/C=C2\SC(c3ccccc3C)=CN2C)sc2ccccc21 | nan | ||
CHEMBL1462215 | 62412 | 5 | None | -72 | 3 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 365 | 3 | 0 | 3 | 5.5 | CC[n+]1c(/C=C2\SC(c3ccccc3C)=CN2C)sc2ccccc21 | nan | ||
CHEMBL1621471 | 62412 | 5 | None | -72 | 3 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 365 | 3 | 0 | 3 | 5.5 | CC[n+]1c(/C=C2\SC(c3ccccc3C)=CN2C)sc2ccccc21 | nan | ||
2223246 | 41159 | 29 | None | 7 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 470 | 6 | 2 | 3 | 6.3 | Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2C)c1 | nan | ||
CHEMBL1427860 | 41159 | 29 | None | 7 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 470 | 6 | 2 | 3 | 6.3 | Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2C)c1 | nan | ||
71719108 | 92826 | 1 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 895 | 16 | 6 | 11 | 3.5 | N=C(N)NCCC[C@@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O | 10.1016/j.bmcl.2009.06.035 | ||
CHEMBL2307889 | 92826 | 1 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 895 | 16 | 6 | 11 | 3.5 | N=C(N)NCCC[C@@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O | 10.1016/j.bmcl.2009.06.035 | ||
70681545 | 81435 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 473 | 5 | 2 | 3 | 4.7 | CN(C)C(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030153 | 81435 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 473 | 5 | 2 | 3 | 4.7 | CN(C)C(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
3849628 | 115184 | 14 | None | -1 | 2 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 377 | 7 | 1 | 7 | 3.9 | CCOC(=O)C(/C=N/c1cc(C)nn1-c1ccc(Cl)cc1)=C(\O)OCC | nan | ||
CHEMBL3198593 | 115184 | 14 | None | -1 | 2 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 377 | 7 | 1 | 7 | 3.9 | CCOC(=O)C(/C=N/c1cc(C)nn1-c1ccc(Cl)cc1)=C(\O)OCC | nan | ||
5806576 | 41287 | 8 | None | 1 | 4 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 373 | 4 | 0 | 5 | 4.8 | N#CC(C#N)=C1C=CC=CN1/C(=C\c1ccco1)C(=O)c1ccc(Cl)cc1 | nan | ||
CHEMBL1428935 | 41287 | 8 | None | 1 | 4 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 373 | 4 | 0 | 5 | 4.8 | N#CC(C#N)=C1C=CC=CN1/C(=C\c1ccco1)C(=O)c1ccc(Cl)cc1 | nan | ||
2609912 | 55628 | 6 | None | 1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 392 | 5 | 0 | 7 | 4.1 | COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)o1 | nan | ||
CHEMBL1559259 | 55628 | 6 | None | 1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 392 | 5 | 0 | 7 | 4.1 | COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)o1 | nan | ||
162651402 | 186961 | 0 | None | -263 | 5 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 5221 | 175 | 80 | 73 | -23.1 | CC[C@H](C)[C@H](NC(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | ||
CHEMBL4749279 | 186961 | 0 | None | -263 | 5 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 5221 | 175 | 80 | 73 | -23.1 | CC[C@H](C)[C@H](NC(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | ||
70689961 | 81446 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.3 | CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1C#N | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030164 | 81446 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.3 | CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1C#N | 10.1016/j.bmcl.2012.04.107 | ||
70689962 | 81455 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 465 | 6 | 2 | 5 | 5.0 | CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3c(C)noc3C)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030182 | 81455 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 465 | 6 | 2 | 5 | 5.0 | CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3c(C)noc3C)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
664816 | 42423 | 7 | None | 2 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 349 | 6 | 1 | 6 | 4.4 | COc1ccc(-c2nc(C#N)c(NC(C)c3ccccc3)o2)cc1OC | nan | ||
CHEMBL1439981 | 42423 | 7 | None | 2 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 349 | 6 | 1 | 6 | 4.4 | COc1ccc(-c2nc(C#N)c(NC(C)c3ccccc3)o2)cc1OC | nan | ||
9594209 | 114766 | 3 | None | 2 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 538 | 12 | 2 | 7 | 3.0 | COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC | nan | ||
CHEMBL3194054 | 114766 | 3 | None | 2 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 538 | 12 | 2 | 7 | 3.0 | COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC | nan | ||
4268834 | 81450 | 10 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 431 | 6 | 1 | 3 | 5.2 | CCOc1ccc(NC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030175 | 81450 | 10 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 431 | 6 | 1 | 3 | 5.2 | CCOc1ccc(NC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
4460128 | 61166 | 12 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 341 | 4 | 0 | 4 | 4.2 | Cc1ccc(S(=O)(=O)C(c2ccccc2)c2c(C)noc2C)cc1 | nan | ||
CHEMBL1608982 | 61166 | 12 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 341 | 4 | 0 | 4 | 4.2 | Cc1ccc(S(=O)(=O)C(c2ccccc2)c2c(C)noc2C)cc1 | nan | ||
70689965 | 81467 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 480 | 6 | 2 | 5 | 4.2 | CS(=O)(=O)Nc1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030196 | 81467 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 480 | 6 | 2 | 5 | 4.2 | CS(=O)(=O)Nc1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
2788869 | 40638 | 12 | None | 2 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 444 | 8 | 0 | 6 | 5.4 | CCC(Oc1ccc2c(=O)c(-c3ccccc3OC)coc2c1)C(=O)OCc1ccccc1 | nan | ||
CHEMBL1423382 | 40638 | 12 | None | 2 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 444 | 8 | 0 | 6 | 5.4 | CCC(Oc1ccc2c(=O)c(-c3ccccc3OC)coc2c1)C(=O)OCc1ccccc1 | nan | ||
6858398 | 115547 | 8 | None | 1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 322 | 6 | 0 | 6 | 3.1 | COc1cc(/C=N/n2cnnc2)ccc1OCc1ccc(C)cc1 | nan | ||
CHEMBL3208997 | 115547 | 8 | None | 1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 322 | 6 | 0 | 6 | 3.1 | COc1cc(/C=N/n2cnnc2)ccc1OCc1ccc(C)cc1 | nan | ||
254021 | 169894 | 26 | None | -3 | 4 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 223 | 0 | 1 | 3 | 2.3 | Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2 | nan | ||
CHEMBL417727 | 169894 | 26 | None | -3 | 4 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 223 | 0 | 1 | 3 | 2.3 | Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2 | nan | ||
831603 | 58625 | 17 | None | 1 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 330 | 5 | 0 | 5 | 4.3 | COc1ccc(-c2noc(COc3ccc(Cl)c(C)c3)n2)cc1 | nan | ||
CHEMBL1585445 | 58625 | 17 | None | 1 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 330 | 5 | 0 | 5 | 4.3 | COc1ccc(-c2noc(COc3ccc(Cl)c(C)c3)n2)cc1 | nan | ||
2228302 | 37763 | 11 | None | 29 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 490 | 6 | 2 | 3 | 6.7 | Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2Cl)c1 | nan | ||
CHEMBL1398754 | 37763 | 11 | None | 29 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 490 | 6 | 2 | 3 | 6.7 | Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2Cl)c1 | nan | ||
2376964 | 45773 | 4 | None | 1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 414 | 5 | 1 | 5 | 5.3 | Nn1c(Cc2cccc3ccccc23)nnc1SCc1c(Cl)cccc1Cl | nan | ||
CHEMBL1468302 | 45773 | 4 | None | 1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 414 | 5 | 1 | 5 | 5.3 | Nn1c(Cc2cccc3ccccc23)nnc1SCc1c(Cl)cccc1Cl | nan | ||
1183477 | 27945 | 16 | None | 1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 375 | 4 | 1 | 4 | 4.7 | COC(=O)c1cc(Cl)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC | nan | ||
CHEMBL1312703 | 27945 | 16 | None | 1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 375 | 4 | 1 | 4 | 4.7 | COC(=O)c1cc(Cl)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC | nan | ||
2890146 | 56978 | 10 | None | 1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 441 | 6 | 1 | 5 | 4.9 | COc1ccc(-c2[nH]nc3c2C(c2ccc(OC)c(OC)c2)N(c2ccccc2)C3=O)cc1 | nan | ||
CHEMBL1570844 | 56978 | 10 | None | 1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 441 | 6 | 1 | 5 | 4.9 | COc1ccc(-c2[nH]nc3c2C(c2ccc(OC)c(OC)c2)N(c2ccccc2)C3=O)cc1 | nan | ||
563820 | 62307 | 7 | None | 2 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 321 | 3 | 1 | 2 | 4.3 | OC1(c2ccccc2)CCN(Cc2ccccc2)C2CCCCC21 | nan | ||
CHEMBL1426022 | 62307 | 7 | None | 2 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 321 | 3 | 1 | 2 | 4.3 | OC1(c2ccccc2)CCN(Cc2ccccc2)C2CCCCC21 | nan | ||
CHEMBL1620460 | 62307 | 7 | None | 2 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 321 | 3 | 1 | 2 | 4.3 | OC1(c2ccccc2)CCN(Cc2ccccc2)C2CCCCC21 | nan | ||
2223246 | 41159 | 29 | None | 7 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 470 | 6 | 2 | 3 | 6.3 | Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2C)c1 | 10.1016/j.bmcl.2013.11.061 | ||
CHEMBL1427860 | 41159 | 29 | None | 7 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 470 | 6 | 2 | 3 | 6.3 | Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2C)c1 | 10.1016/j.bmcl.2013.11.061 | ||
2223246 | 41159 | 29 | None | 7 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 470 | 6 | 2 | 3 | 6.3 | Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2C)c1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL1427860 | 41159 | 29 | None | 7 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 470 | 6 | 2 | 3 | 6.3 | Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2C)c1 | 10.1016/j.bmcl.2012.04.107 | ||
4460128 | 61166 | 12 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 341 | 4 | 0 | 4 | 4.2 | Cc1ccc(S(=O)(=O)C(c2ccccc2)c2c(C)noc2C)cc1 | 10.1016/j.bmcl.2013.11.061 | ||
CHEMBL1608982 | 61166 | 12 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 341 | 4 | 0 | 4 | 4.2 | Cc1ccc(S(=O)(=O)C(c2ccccc2)c2c(C)noc2C)cc1 | 10.1016/j.bmcl.2013.11.061 | ||
4460128 | 61166 | 12 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 341 | 4 | 0 | 4 | 4.2 | Cc1ccc(S(=O)(=O)C(c2ccccc2)c2c(C)noc2C)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL1608982 | 61166 | 12 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 341 | 4 | 0 | 4 | 4.2 | Cc1ccc(S(=O)(=O)C(c2ccccc2)c2c(C)noc2C)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
3206677 | 27871 | 4 | None | -1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 351 | 5 | 2 | 3 | 4.1 | Cc1cc2cc(C)c(NCCNC(=O)c3cccc(F)c3)nc2cc1C | nan | ||
CHEMBL1312220 | 27871 | 4 | None | -1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 351 | 5 | 2 | 3 | 4.1 | Cc1cc2cc(C)c(NCCNC(=O)c3cccc(F)c3)nc2cc1C | nan | ||
6892993 | 115056 | 3 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 378 | 7 | 1 | 6 | 3.8 | CCOc1ccc(Oc2c(/C=N/NC(C)=O)c(C)nn2-c2ccccc2)cc1 | nan | ||
CHEMBL3197426 | 115056 | 3 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 378 | 7 | 1 | 6 | 3.8 | CCOc1ccc(Oc2c(/C=N/NC(C)=O)c(C)nn2-c2ccccc2)cc1 | nan | ||
12004848 | 33851 | 1 | None | 2 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 246 | 5 | 1 | 3 | 2.5 | CCCCOc1ccc(C2=NNC(=O)CC2)cc1 | nan | ||
CHEMBL1365319 | 33851 | 1 | None | 2 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 246 | 5 | 1 | 3 | 2.5 | CCCCOc1ccc(C2=NNC(=O)CC2)cc1 | nan | ||
647568 | 47758 | 5 | None | -1 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 335 | 4 | 0 | 6 | 4.1 | CC(C)c1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1 | nan | ||
CHEMBL1487131 | 47758 | 5 | None | -1 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 335 | 4 | 0 | 6 | 4.1 | CC(C)c1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1 | nan | ||
162650338 | 186926 | 0 | None | -97 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 5278 | 177 | 81 | 74 | -23.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | ||
CHEMBL4748874 | 186926 | 0 | None | -97 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 5278 | 177 | 81 | 74 | -23.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | ||
101430 | 103208 | 19 | None | -1023 | 5 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 343 | 4 | 4 | 9 | 0.2 | OC[C@H]1O[C@@H](n2cnc3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O | nan | ||
CHEMBL262083 | 103208 | 19 | None | -1023 | 5 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 343 | 4 | 4 | 9 | 0.2 | OC[C@H]1O[C@@H](n2cnc3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O | nan | ||
44634614 | 79691 | 0 | None | 2 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 528 | 2 | 3 | 5 | 3.8 | C/C1=C/[C@@H](C)C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@]23C(=O)/C=C\C(=O)[C@@H]1O | nan | ||
CHEMBL2004475 | 79691 | 0 | None | 2 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 528 | 2 | 3 | 5 | 3.8 | C/C1=C/[C@@H](C)C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@]23C(=O)/C=C\C(=O)[C@@H]1O | nan | ||
2942743 | 48583 | 9 | None | 2 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 367 | 5 | 1 | 2 | 6.1 | CC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1ccccc1 | nan | ||
CHEMBL1493277 | 48583 | 9 | None | 2 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 367 | 5 | 1 | 2 | 6.1 | CC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1ccccc1 | nan | ||
70681551 | 81451 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030176 | 81451 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
70689963 | 81463 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 520 | 6 | 1 | 5 | 4.6 | O=C(Oc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030190 | 81463 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 520 | 6 | 1 | 5 | 4.6 | O=C(Oc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.04.107 | ||
5338258 | 56672 | 5 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 259 | 3 | 0 | 2 | 4.1 | O=C(/C=C/c1cccc2ccccc12)c1ccncc1 | nan | ||
CHEMBL1568243 | 56672 | 5 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 259 | 3 | 0 | 2 | 4.1 | O=C(/C=C/c1cccc2ccccc12)c1ccncc1 | nan | ||
6871377 | 114462 | 1 | None | 1 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 295 | 3 | 1 | 4 | 3.7 | CC(C)COC(=O)c1cccc2c1-c1ccccc1/C2=N\O | nan | ||
CHEMBL3190644 | 114462 | 1 | None | 1 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 295 | 3 | 1 | 4 | 3.7 | CC(C)COC(=O)c1cccc2c1-c1ccccc1/C2=N\O | nan | ||
5281371 | 41059 | 15 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 426 | 5 | 0 | 7 | 4.4 | C/C=C(/C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)O[C@@H]1C(C)(C)OC(=O)/C(C)=C\C | nan | ||
CHEMBL1426896 | 41059 | 15 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 426 | 5 | 0 | 7 | 4.4 | C/C=C(/C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)O[C@@H]1C(C)(C)OC(=O)/C(C)=C\C | nan | ||
9566117 | 115708 | 11 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 317 | 5 | 2 | 2 | 3.4 | S=C(NCCc1ccccc1)N/N=C/c1ccccc1Cl | nan | ||
CHEMBL3211272 | 115708 | 11 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 317 | 5 | 2 | 2 | 3.4 | S=C(NCCc1ccccc1)N/N=C/c1ccccc1Cl | nan | ||
8178372 | 60081 | 2 | None | 1 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 282 | 3 | 1 | 2 | 4.1 | O=C(/C=C/c1cccc(Cl)c1)c1nc2ccccc2[nH]1 | nan | ||
CHEMBL1599610 | 60081 | 2 | None | 1 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 282 | 3 | 1 | 2 | 4.1 | O=C(/C=C/c1cccc(Cl)c1)c1nc2ccccc2[nH]1 | nan | ||
2181167 | 61843 | 4 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 367 | 7 | 1 | 2 | 5.0 | Cc1cc(Cl)c(OCCCNCc2ccccc2)c(Br)c1 | nan | ||
CHEMBL1308845 | 61843 | 4 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 367 | 7 | 1 | 2 | 5.0 | Cc1cc(Cl)c(OCCCNCc2ccccc2)c(Br)c1 | nan | ||
CHEMBL1616638 | 61843 | 4 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 367 | 7 | 1 | 2 | 5.0 | Cc1cc(Cl)c(OCCCNCc2ccccc2)c(Br)c1 | nan | ||
1543852 | 40691 | 15 | None | 1 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 371 | 4 | 0 | 4 | 5.6 | N#Cc1ccc(-c2cccnc2)nc1SCc1ccc(Cl)c(Cl)c1 | nan | ||
CHEMBL1423799 | 40691 | 15 | None | 1 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 371 | 4 | 0 | 4 | 5.6 | N#Cc1ccc(-c2cccnc2)nc1SCc1ccc(Cl)c(Cl)c1 | nan | ||
1235256 | 36921 | 13 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 311 | 1 | 1 | 2 | 5.2 | Oc1cccc(-c2nc3ccc4ccccc4c3c3c2CCC3)c1 | nan | ||
CHEMBL1389982 | 36921 | 13 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 311 | 1 | 1 | 2 | 5.2 | Oc1cccc(-c2nc3ccc4ccccc4c3c3c2CCC3)c1 | nan | ||
3706900 | 41148 | 8 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 405 | 7 | 1 | 4 | 3.5 | CCC(NCCC(c1ccccc1)c1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O | nan | ||
CHEMBL1427745 | 41148 | 8 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 405 | 7 | 1 | 4 | 3.5 | CCC(NCCC(c1ccccc1)c1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O | nan | ||
1220296 | 49230 | 9 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 396 | 3 | 1 | 4 | 5.2 | Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)cc1 | nan | ||
CHEMBL1499276 | 49230 | 9 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 396 | 3 | 1 | 4 | 5.2 | Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)cc1 | nan | ||
5708012 | 31648 | 12 | None | -1 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 340 | 5 | 0 | 3 | 5.3 | COc1ccc(Cn2c(/C=C/c3ccccc3)nc3ccccc32)cc1 | nan | ||
CHEMBL1345334 | 31648 | 12 | None | -1 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 340 | 5 | 0 | 3 | 5.3 | COc1ccc(Cn2c(/C=C/c3ccccc3)nc3ccccc32)cc1 | nan | ||
5740982 | 38134 | 7 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 366 | 5 | 0 | 3 | 5.1 | Cc1ccccc1/C=C/c1nc2ccccc2c(=O)n1CCc1ccccc1 | nan | ||
CHEMBL1402158 | 38134 | 7 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 366 | 5 | 0 | 3 | 5.1 | Cc1ccccc1/C=C/c1nc2ccccc2c(=O)n1CCc1ccccc1 | nan | ||
1894428 | 41567 | 10 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 388 | 8 | 0 | 7 | 3.8 | CCOc1nc(SCCOc2ccc(Cl)cc2Cl)nc(N(C)C)n1 | nan | ||
CHEMBL1431004 | 41567 | 10 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 388 | 8 | 0 | 7 | 3.8 | CCOc1nc(SCCOc2ccc(Cl)cc2Cl)nc(N(C)C)n1 | nan | ||
2930337 | 45803 | 8 | None | 1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 331 | 2 | 0 | 3 | 2.6 | O=C1C2CC=C(Cl)CC2C(=O)N1CC1Cc2ccccc2CO1 | nan | ||
CHEMBL1468490 | 45803 | 8 | None | 1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 331 | 2 | 0 | 3 | 2.6 | O=C1C2CC=C(Cl)CC2C(=O)N1CC1Cc2ccccc2CO1 | nan | ||
664856 | 27412 | 8 | None | 1 | 4 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 281 | 1 | 0 | 4 | 3.9 | Cc1nc(N2CCC(C)CC2)c2oc3ccccc3c2n1 | nan | ||
CHEMBL1308461 | 27412 | 8 | None | 1 | 4 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 281 | 1 | 0 | 4 | 3.9 | Cc1nc(N2CCC(C)CC2)c2oc3ccccc3c2n1 | nan | ||
649757 | 54309 | 16 | None | 1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 383 | 3 | 1 | 5 | 5.0 | Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C#N)CCC2 | nan | ||
CHEMBL1545971 | 54309 | 16 | None | 1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 383 | 3 | 1 | 5 | 5.0 | Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C#N)CCC2 | nan | ||
70683663 | 81465 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 479 | 6 | 1 | 5 | 4.6 | CCS(=O)(=O)c1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030192 | 81465 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 479 | 6 | 1 | 5 | 4.6 | CCS(=O)(=O)c1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
4287464 | 62133 | 2 | None | -1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 351 | 2 | 0 | 1 | 5.1 | Cc1ccc(-[n+]2c(-c3ccccc3)cn3c2CCc2ccccc2-3)c(C)c1 | nan | ||
CHEMBL1381600 | 62133 | 2 | None | -1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 351 | 2 | 0 | 1 | 5.1 | Cc1ccc(-[n+]2c(-c3ccccc3)cn3c2CCc2ccccc2-3)c(C)c1 | nan | ||
CHEMBL1619019 | 62133 | 2 | None | -1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 351 | 2 | 0 | 1 | 5.1 | Cc1ccc(-[n+]2c(-c3ccccc3)cn3c2CCc2ccccc2-3)c(C)c1 | nan | ||
4246341 | 33288 | 4 | None | 1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 405 | 4 | 0 | 8 | 3.2 | COc1ccc(-c2nnc3sc(C(C)N4C(=O)c5ccccc5C4=O)nn23)cc1 | nan | ||
CHEMBL1360426 | 33288 | 4 | None | 1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 405 | 4 | 0 | 8 | 3.2 | COc1ccc(-c2nnc3sc(C(C)N4C(=O)c5ccccc5C4=O)nn23)cc1 | nan | ||
2198291 | 41121 | 10 | None | -1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 401 | 6 | 1 | 2 | 6.5 | O=C(CSCc1c(Cl)cccc1Cl)Nc1ccccc1-c1ccccc1 | nan | ||
CHEMBL1427504 | 41121 | 10 | None | -1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 401 | 6 | 1 | 2 | 6.5 | O=C(CSCc1c(Cl)cccc1Cl)Nc1ccccc1-c1ccccc1 | nan | ||
70696289 | 81444 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 500 | 5 | 2 | 3 | 6.1 | COc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1C(F)(F)F | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030162 | 81444 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 500 | 5 | 2 | 3 | 6.1 | COc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1C(F)(F)F | 10.1016/j.bmcl.2012.04.107 | ||
162645314 | 186268 | 0 | None | -4 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 4923 | 167 | 76 | 68 | -19.8 | CC[C@H](C)[C@H](NC(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | ||
CHEMBL4741000 | 186268 | 0 | None | -4 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 4923 | 167 | 76 | 68 | -19.8 | CC[C@H](C)[C@H](NC(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | ||
70696293 | 81460 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 494 | 6 | 1 | 5 | 4.1 | CN(C)S(=O)(=O)c1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030188 | 81460 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 494 | 6 | 1 | 5 | 4.1 | CN(C)S(=O)(=O)c1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
1798157 | 34004 | 12 | None | 1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 342 | 5 | 2 | 2 | 4.2 | CCCCCC(=O)NC(=S)Nc1ccc(Br)cc1C | nan | ||
CHEMBL1366620 | 34004 | 12 | None | 1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 342 | 5 | 2 | 2 | 4.2 | CCCCCC(=O)NC(=S)Nc1ccc(Br)cc1C | nan | ||
70689958 | 81429 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 445 | 5 | 2 | 3 | 5.1 | CN(C)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030147 | 81429 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 445 | 5 | 2 | 3 | 5.1 | CN(C)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
1896116 | 62333 | 9 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 305 | 6 | 0 | 1 | 4.7 | CCN(CC)CC#CCC(C)(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL1432676 | 62333 | 9 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 305 | 6 | 0 | 1 | 4.7 | CCN(CC)CC#CCC(C)(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL1620776 | 62333 | 9 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 305 | 6 | 0 | 1 | 4.7 | CCN(CC)CC#CCC(C)(c1ccccc1)c1ccccc1 | nan | ||
2577652 | 57375 | 6 | None | 1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 390 | 4 | 0 | 8 | 3.5 | COC(=O)c1ccc(CSc2nc3sc4c(c3c(=O)n2C)CCCC4)o1 | nan | ||
CHEMBL1574689 | 57375 | 6 | None | 1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 390 | 4 | 0 | 8 | 3.5 | COC(=O)c1ccc(CSc2nc3sc4c(c3c(=O)n2C)CCCC4)o1 | nan | ||
10324083 | 8928 | 31 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2013.11.061 | ||
3504 | 8928 | 31 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2013.11.061 | ||
CHEMBL21283 | 8928 | 31 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2013.11.061 | ||
10324083 | 8928 | 31 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2009.06.035 | ||
3504 | 8928 | 31 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2009.06.035 | ||
CHEMBL21283 | 8928 | 31 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2009.06.035 | ||
1201829 | 52669 | 11 | None | -1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 437 | 8 | 1 | 5 | 4.7 | COc1cccc(-c2ccc(C#N)c(SCC(=O)NCCc3ccc(Cl)cc3)n2)c1 | nan | ||
CHEMBL1531745 | 52669 | 11 | None | -1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 437 | 8 | 1 | 5 | 4.7 | COc1cccc(-c2ccc(C#N)c(SCC(=O)NCCc3ccc(Cl)cc3)n2)c1 | nan | ||
9590479 | 115924 | 8 | None | 1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 386 | 6 | 1 | 3 | 5.0 | O=C(CSCc1ccc(Cl)cc1)N/N=C/c1c(Cl)cccc1Cl | nan | ||
CHEMBL3214137 | 115924 | 8 | None | 1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 386 | 6 | 1 | 3 | 5.0 | O=C(CSCc1ccc(Cl)cc1)N/N=C/c1c(Cl)cccc1Cl | nan | ||
4557532 | 29666 | 6 | None | 1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 434 | 3 | 1 | 5 | 5.6 | Cc1nc(N2CCCCC2)c2c(C)c(C(=O)Nc3ccccc3C(F)(F)F)sc2n1 | nan | ||
CHEMBL1328939 | 29666 | 6 | None | 1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 434 | 3 | 1 | 5 | 5.6 | Cc1nc(N2CCCCC2)c2c(C)c(C(=O)Nc3ccccc3C(F)(F)F)sc2n1 | nan | ||
70696292 | 81457 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 535 | 4 | 2 | 5 | 3.6 | CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030185 | 81457 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 535 | 4 | 2 | 5 | 3.6 | CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
70683661 | 81449 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 458 | 6 | 1 | 3 | 6.1 | CCOC(=O)c1ccc(NC(=S)N2CCC(C(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030172 | 81449 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 458 | 6 | 1 | 3 | 6.1 | CCOC(=O)c1ccc(NC(=S)N2CCC(C(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
6413289 | 51625 | 15 | None | -1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 372 | 3 | 0 | 3 | 5.8 | Clc1ccc(CSc2cc3c(nn2)-c2ccccc2CC3)cc1Cl | nan | ||
CHEMBL1522356 | 51625 | 15 | None | -1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 372 | 3 | 0 | 3 | 5.8 | Clc1ccc(CSc2cc3c(nn2)-c2ccccc2CC3)cc1Cl | nan | ||
2897425 | 27946 | 11 | None | -1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 394 | 9 | 1 | 5 | 4.2 | CCN(CC)CC(O)COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccccc1 | nan | ||
CHEMBL1312713 | 27946 | 11 | None | -1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 394 | 9 | 1 | 5 | 4.2 | CCN(CC)CC(O)COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccccc1 | nan | ||
2450538 | 44021 | 6 | None | -1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 407 | 6 | 1 | 3 | 5.8 | O=C(COC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccccc1-c1ccccc1 | nan | ||
CHEMBL1453672 | 44021 | 6 | None | -1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 407 | 6 | 1 | 3 | 5.8 | O=C(COC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccccc1-c1ccccc1 | nan | ||
1477664 | 53337 | 21 | None | -1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 359 | 5 | 0 | 4 | 5.7 | Cc1nc(-c2ccccc2)sc1C(=O)CSc1ccc(Cl)cc1 | nan | ||
CHEMBL1537995 | 53337 | 21 | None | -1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 359 | 5 | 0 | 4 | 5.7 | Cc1nc(-c2ccccc2)sc1C(=O)CSc1ccc(Cl)cc1 | nan | ||
3235942 | 47017 | 7 | None | -1 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 415 | 4 | 1 | 7 | 3.4 | COc1ccc(-n2nc(C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3c2=O)cc1 | nan | ||
CHEMBL1480648 | 47017 | 7 | None | -1 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 415 | 4 | 1 | 7 | 3.4 | COc1ccc(-n2nc(C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3c2=O)cc1 | nan | ||
70689959 | 81430 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 473 | 7 | 2 | 3 | 5.9 | CCN(CC)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030148 | 81430 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 473 | 7 | 2 | 3 | 5.9 | CCN(CC)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
3236979 | 38340 | 9 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 415 | 7 | 1 | 6 | 4.6 | COc1cccc(-c2nc(-c3ccc(NC(=O)Cc4ccccc4OC)cc3)no2)c1 | nan | ||
CHEMBL1404069 | 38340 | 9 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 415 | 7 | 1 | 6 | 4.6 | COc1cccc(-c2nc(-c3ccc(NC(=O)Cc4ccccc4OC)cc3)no2)c1 | nan | ||
2173045 | 36135 | 7 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 346 | 5 | 2 | 3 | 3.1 | Cc1ccc(NC(=O)C(=O)NCCOc2ccc(Cl)cc2)c(C)c1 | nan | ||
CHEMBL1383592 | 36135 | 7 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 346 | 5 | 2 | 3 | 3.1 | Cc1ccc(NC(=O)C(=O)NCCOc2ccc(Cl)cc2)c(C)c1 | nan | ||
649706 | 27266 | 2 | None | -2 | 5 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 420 | 5 | 0 | 7 | 4.3 | CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nnc(Cn2nnc3ccccc32)s1 | nan | ||
CHEMBL1307319 | 27266 | 2 | None | -2 | 5 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 420 | 5 | 0 | 7 | 4.3 | CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nnc(Cn2nnc3ccccc32)s1 | nan | ||
70681544 | 81427 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 444 | 6 | 2 | 2 | 6.0 | CCCc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030145 | 81427 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 444 | 6 | 2 | 2 | 6.0 | CCCc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
70689960 | 81436 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 501 | 7 | 2 | 3 | 5.5 | CCN(CC)C(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030154 | 81436 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 501 | 7 | 2 | 3 | 5.5 | CCN(CC)C(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
4526399 | 46190 | 11 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 500 | 5 | 0 | 7 | 5.1 | COC(=O)c1c(C)oc2ccc(N(C(=O)c3ccncc3)S(=O)(=O)c3ccc4ccccc4c3)cc12 | nan | ||
CHEMBL1471779 | 46190 | 11 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 500 | 5 | 0 | 7 | 5.1 | COC(=O)c1c(C)oc2ccc(N(C(=O)c3ccncc3)S(=O)(=O)c3ccc4ccccc4c3)cc12 | nan | ||
9563579 | 79272 | 8 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 325 | 5 | 0 | 4 | 4.7 | C/C(=N\OC(=O)c1ccc(OC(C)C)cc1)c1ccc(C)c(C)c1 | nan | ||
CHEMBL1990096 | 79272 | 8 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 325 | 5 | 0 | 4 | 4.7 | C/C(=N\OC(=O)c1ccc(OC(C)C)cc1)c1ccc(C)c(C)c1 | nan | ||
5132730 | 32568 | 11 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 354 | 9 | 2 | 4 | 2.7 | CCCCCCNS(=O)(=O)c1ccc(NC(=O)C2CCCO2)cc1 | nan | ||
CHEMBL1353075 | 32568 | 11 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 354 | 9 | 2 | 4 | 2.7 | CCCCCCNS(=O)(=O)c1ccc(NC(=O)C2CCCO2)cc1 | nan | ||
665164 | 61897 | 5 | None | -1 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 363 | 7 | 0 | 5 | 3.6 | CC(C)COc1ccc(C(=O)OC2CC(C)(C)OCC2CN(C)C)cc1 | nan | ||
CHEMBL1348426 | 61897 | 5 | None | -1 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 363 | 7 | 0 | 5 | 3.6 | CC(C)COc1ccc(C(=O)OC2CC(C)(C)OCC2CN(C)C)cc1 | nan | ||
CHEMBL1617044 | 61897 | 5 | None | -1 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 363 | 7 | 0 | 5 | 3.6 | CC(C)COc1ccc(C(=O)OC2CC(C)(C)OCC2CN(C)C)cc1 | nan | ||
876519 | 62363 | 8 | None | -1 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 345 | 4 | 0 | 2 | 4.4 | Cc1ccc(C(=O)C[n+]2cc(-c3ccccc3)n3c2CCCCC3)cc1 | nan | ||
CHEMBL1452153 | 62363 | 8 | None | -1 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 345 | 4 | 0 | 2 | 4.4 | Cc1ccc(C(=O)C[n+]2cc(-c3ccccc3)n3c2CCCCC3)cc1 | nan | ||
CHEMBL1621027 | 62363 | 8 | None | -1 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 345 | 4 | 0 | 2 | 4.4 | Cc1ccc(C(=O)C[n+]2cc(-c3ccccc3)n3c2CCCCC3)cc1 | nan | ||
3198 | 212292 | 76 | None | -44 | 37 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL1201049 | 212292 | 76 | None | -44 | 37 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL808 | 212292 | 76 | None | -44 | 37 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
2446403 | 30455 | 3 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 391 | 6 | 1 | 3 | 5.2 | O=C(COC(=O)/C=C/c1ccc(Cl)cc1)Nc1ccccc1-c1ccccc1 | nan | ||
CHEMBL1335124 | 30455 | 3 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 391 | 6 | 1 | 3 | 5.2 | O=C(COC(=O)/C=C/c1ccc(Cl)cc1)Nc1ccccc1-c1ccccc1 | nan | ||
663290 | 27780 | 12 | None | -3 | 4 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 426 | 6 | 0 | 6 | 5.0 | Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1 | nan | ||
CHEMBL1311570 | 27780 | 12 | None | -3 | 4 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 426 | 6 | 0 | 6 | 5.0 | Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1 | nan | ||
5854588 | 61338 | 11 | None | -1 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 328 | 5 | 0 | 4 | 5.2 | Clc1ccccc1CSc1nnc(/C=C/c2ccccc2)o1 | nan | ||
CHEMBL1610409 | 61338 | 11 | None | -1 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 328 | 5 | 0 | 4 | 5.2 | Clc1ccccc1CSc1nnc(/C=C/c2ccccc2)o1 | nan | ||
1816029 | 33203 | 8 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 294 | 5 | 0 | 4 | 3.6 | CCCCOc1nc2ccccc2c(=O)n1-c1ccccc1 | nan | ||
CHEMBL1359694 | 33203 | 8 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 294 | 5 | 0 | 4 | 3.6 | CCCCOc1nc2ccccc2c(=O)n1-c1ccccc1 | nan | ||
17376722 | 81441 | 8 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 432 | 5 | 2 | 3 | 5.0 | COc1cccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030159 | 81441 | 8 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 432 | 5 | 2 | 3 | 5.0 | COc1cccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1 | 10.1016/j.bmcl.2012.04.107 | ||
15944687 | 31375 | 5 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 370 | 4 | 0 | 6 | 4.7 | COC(=O)c1cc2occc2n1Cc1nc(-c2ccccc2Cl)oc1C | nan | ||
CHEMBL1342925 | 31375 | 5 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 370 | 4 | 0 | 6 | 4.7 | COC(=O)c1cc2occc2n1Cc1nc(-c2ccccc2Cl)oc1C | nan | ||
70696290 | 81445 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 507 | 7 | 2 | 3 | 6.5 | CCN(CC)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1Cl | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030163 | 81445 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 507 | 7 | 2 | 3 | 6.5 | CCN(CC)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1Cl | 10.1016/j.bmcl.2012.04.107 | ||
665910 | 52219 | 7 | None | 1 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 390 | 2 | 1 | 6 | 3.8 | Clc1ccc(C2=Nn3c(nnc3-c3[nH]nc4c3CCC4)SC2)cc1Cl | nan | ||
CHEMBL1527817 | 52219 | 7 | None | 1 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 390 | 2 | 1 | 6 | 3.8 | Clc1ccc(C2=Nn3c(nnc3-c3[nH]nc4c3CCC4)SC2)cc1Cl | nan | ||
943274 | 50439 | 9 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 348 | 2 | 1 | 2 | 5.2 | Cc1nc2ccc(F)cc2cc1C(=O)Nc1ccc(Cl)c(Cl)c1 | nan | ||
CHEMBL1509886 | 50439 | 9 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 348 | 2 | 1 | 2 | 5.2 | Cc1nc2ccc(F)cc2cc1C(=O)Nc1ccc(Cl)c(Cl)c1 | nan | ||
70685808 | 81456 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 527 | 6 | 2 | 4 | 4.4 | CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccc(F)cc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030183 | 81456 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 527 | 6 | 2 | 4 | 4.4 | CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccc(F)cc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
70685805 | 81447 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 485 | 6 | 2 | 4 | 5.7 | CC(C)Oc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1C#N | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030165 | 81447 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 485 | 6 | 2 | 4 | 5.7 | CC(C)Oc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1C#N | 10.1016/j.bmcl.2012.04.107 | ||
20846851 | 114855 | 4 | None | -1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 398 | 6 | 1 | 4 | 4.4 | O=C(N/N=C/c1ccco1)c1ccccc1OCc1ccc(Br)cc1 | nan | ||
CHEMBL3195229 | 114855 | 4 | None | -1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 398 | 6 | 1 | 4 | 4.4 | O=C(N/N=C/c1ccco1)c1ccccc1OCc1ccc(Br)cc1 | nan | ||
826626 | 61862 | 10 | None | -1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 293 | 4 | 0 | 2 | 5.1 | CN(C)Cc1ccccc1Sc1cccc2ccccc12 | nan | ||
CHEMBL1310577 | 61862 | 10 | None | -1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 293 | 4 | 0 | 2 | 5.1 | CN(C)Cc1ccccc1Sc1cccc2ccccc12 | nan | ||
CHEMBL1616775 | 61862 | 10 | None | -1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 293 | 4 | 0 | 2 | 5.1 | CN(C)Cc1ccccc1Sc1cccc2ccccc12 | nan | ||
955150 | 30609 | 9 | None | -1 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 335 | 4 | 0 | 3 | 5.2 | O=C(c1ccco1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 | nan | ||
CHEMBL1336318 | 30609 | 9 | None | -1 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 335 | 4 | 0 | 3 | 5.2 | O=C(c1ccco1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 | nan | ||
1302588 | 62409 | 8 | None | -1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 346 | 8 | 2 | 3 | 4.0 | O=C(COc1ccccc1CNCc1ccccc1)Nc1ccccc1 | nan | ||
CHEMBL1457093 | 62409 | 8 | None | -1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 346 | 8 | 2 | 3 | 4.0 | O=C(COc1ccccc1CNCc1ccccc1)Nc1ccccc1 | nan | ||
CHEMBL1621407 | 62409 | 8 | None | -1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 346 | 8 | 2 | 3 | 4.0 | O=C(COc1ccccc1CNCc1ccccc1)Nc1ccccc1 | nan | ||
70687927 | 81452 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 510 | 6 | 2 | 5 | 3.7 | CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccn3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
CHEMBL2030179 | 81452 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 510 | 6 | 2 | 5 | 3.7 | CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccn3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | ||
6876206 | 115274 | 8 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 370 | 7 | 3 | 5 | 2.3 | COc1cc(/C=N/NC(N)=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 | nan | ||
CHEMBL3199632 | 115274 | 8 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 370 | 7 | 3 | 5 | 2.3 | COc1cc(/C=N/NC(N)=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 | nan | ||
1183030 | 203500 | 13 | None | -1 | 2 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 394 | 6 | 1 | 4 | 5.5 | Cc1ccc(CCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)o1 | nan | ||
CHEMBL564979 | 203500 | 13 | None | -1 | 2 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 394 | 6 | 1 | 4 | 5.5 | Cc1ccc(CCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)o1 | nan | ||
11958550 | 55220 | 0 | None | 1 | 2 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 368 | 8 | 2 | 5 | 3.8 | CCCCNC(=O)c1onc(CSc2ccc(Cl)cc2)c1C(=O)O | nan | ||
CHEMBL1555711 | 55220 | 0 | None | 1 | 2 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 368 | 8 | 2 | 5 | 3.8 | CCCCNC(=O)c1onc(CSc2ccc(Cl)cc2)c1C(=O)O | nan | ||
16667090 | 98197 | 0 | None | - | 1 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 521 | 8 | 2 | 5 | 5.9 | CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Nc3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | ||
CHEMBL2403028 | 98197 | 0 | None | - | 1 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 521 | 8 | 2 | 5 | 5.9 | CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Nc3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | ||
16058735 | 98196 | 0 | None | - | 1 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 493 | 7 | 3 | 5 | 5.2 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Nc3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | ||
CHEMBL2403027 | 98196 | 0 | None | - | 1 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 493 | 7 | 3 | 5 | 5.2 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Nc3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | ||
16667135 | 98193 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 506 | 8 | 1 | 5 | 5.6 | CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | ||
CHEMBL2403024 | 98193 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 506 | 8 | 1 | 5 | 5.6 | CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | ||
50925492 | 25811 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 533 | 6 | 1 | 3 | 7.0 | CC(C)(C(=O)Nc1ccc(N2CCC3(CCN(CC4CC4)C3)CC2)c(Cl)c1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.065 | ||
CHEMBL1288285 | 25811 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 533 | 6 | 1 | 3 | 7.0 | CC(C)(C(=O)Nc1ccc(N2CCC3(CCN(CC4CC4)C3)CC2)c(Cl)c1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.065 | ||
45269889 | 201872 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 461 | 5 | 1 | 3 | 5.2 | CC(C)(C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccccc1 | 10.1016/j.bmcl.2009.06.035 | ||
CHEMBL549771 | 201872 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 461 | 5 | 1 | 3 | 5.2 | CC(C)(C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccccc1 | 10.1016/j.bmcl.2009.06.035 | ||
52947370 | 25792 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 413 | 6 | 2 | 3 | 5.2 | CC(C)NC1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.10.065 | ||
CHEMBL1288138 | 25792 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 413 | 6 | 2 | 3 | 5.2 | CC(C)NC1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.10.065 | ||
45271544 | 202187 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 530 | 5 | 1 | 4 | 5.6 | CC(C)(C(=O)Nc1ccc(N2CCN(C(=O)c3ncccc3C(F)(F)F)CC2)c(Cl)c1)c1ccccc1 | 10.1016/j.bmcl.2009.06.035 | ||
CHEMBL552112 | 202187 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 530 | 5 | 1 | 4 | 5.6 | CC(C)(C(=O)Nc1ccc(N2CCN(C(=O)c3ncccc3C(F)(F)F)CC2)c(Cl)c1)c1ccccc1 | 10.1016/j.bmcl.2009.06.035 | ||
45273317 | 202441 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 510 | 6 | 1 | 4 | 5.5 | O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)C(c1ccccc1)c1ccccn1 | 10.1016/j.bmcl.2009.06.035 | ||
CHEMBL556481 | 202441 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 510 | 6 | 1 | 4 | 5.5 | O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)C(c1ccccc1)c1ccccn1 | 10.1016/j.bmcl.2009.06.035 | ||
52948513 | 25758 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 417 | 3 | 1 | 3 | 4.4 | CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)c(Cl)c1 | 10.1016/j.bmcl.2010.10.065 | ||
CHEMBL1287870 | 25758 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 417 | 3 | 1 | 3 | 4.4 | CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)c(Cl)c1 | 10.1016/j.bmcl.2010.10.065 | ||
50925474 | 25796 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 425 | 7 | 2 | 3 | 5.2 | CC(C)(C(=O)Nc1ccc(N2CCC(NCC3CC3)CC2)c(Cl)c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.065 | ||
CHEMBL1288170 | 25796 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 425 | 7 | 2 | 3 | 5.2 | CC(C)(C(=O)Nc1ccc(N2CCC(NCC3CC3)CC2)c(Cl)c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.065 | ||
45271522 | 201882 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 467 | 3 | 1 | 3 | 5.3 | CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2009.06.035 | ||
CHEMBL549895 | 201882 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 467 | 3 | 1 | 3 | 5.3 | CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2009.06.035 | ||
52946147 | 25805 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 426 | 7 | 2 | 4 | 4.6 | CC(C)(C(=O)Nc1ccc(N2CCC(NCC3CC3)CC2)c(Cl)c1)c1ccccn1 | 10.1016/j.bmcl.2010.10.065 | ||
CHEMBL1288226 | 25805 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 426 | 7 | 2 | 4 | 4.6 | CC(C)(C(=O)Nc1ccc(N2CCC(NCC3CC3)CC2)c(Cl)c1)c1ccccn1 | 10.1016/j.bmcl.2010.10.065 | ||
52948948 | 25786 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 507 | 5 | 1 | 3 | 6.7 | CC(C)(C(=O)Nc1ccc(N2CCC(N3CCCCC3)CC2)c(Cl)c1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.065 | ||
CHEMBL1288078 | 25786 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 507 | 5 | 1 | 3 | 6.7 | CC(C)(C(=O)Nc1ccc(N2CCC(N3CCCCC3)CC2)c(Cl)c1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.065 | ||
52948640 | 25810 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 479 | 4 | 2 | 3 | 5.9 | CC(C)(C(=O)Nc1ccc(N2CCC3(CCNC3)CC2)c(Cl)c1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.065 | ||
CHEMBL1288284 | 25810 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 479 | 4 | 2 | 3 | 5.9 | CC(C)(C(=O)Nc1ccc(N2CCC3(CCNC3)CC2)c(Cl)c1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.065 | ||
50925473 | 25767 | 1 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 535 | 6 | 1 | 5 | 5.8 | CC(C)(C(=O)Nc1ccc(N2CCC3(CCN(CC4CC4)C3)CC2)c(Cl)c1)c1nccc(C(F)(F)F)n1 | 10.1016/j.bmcl.2010.10.065 | ||
CHEMBL1287953 | 25767 | 1 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 535 | 6 | 1 | 5 | 5.8 | CC(C)(C(=O)Nc1ccc(N2CCC3(CCN(CC4CC4)C3)CC2)c(Cl)c1)c1nccc(C(F)(F)F)n1 | 10.1016/j.bmcl.2010.10.065 | ||
45271528 | 201960 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 425 | 4 | 1 | 3 | 4.8 | O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)C1CCCCC1 | 10.1016/j.bmcl.2009.06.035 | ||
CHEMBL550504 | 201960 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 425 | 4 | 1 | 3 | 4.8 | O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)C1CCCCC1 | 10.1016/j.bmcl.2009.06.035 | ||
45268150 | 202864 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 467 | 3 | 1 | 3 | 5.3 | CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2009.06.035 | ||
CHEMBL560716 | 202864 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 467 | 3 | 1 | 3 | 5.3 | CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2009.06.035 | ||
45271540 | 202115 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 427 | 5 | 1 | 3 | 4.6 | CC(C)(C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccccc1 | 10.1016/j.bmcl.2009.06.035 | ||
CHEMBL551715 | 202115 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 427 | 5 | 1 | 3 | 4.6 | CC(C)(C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccccc1 | 10.1016/j.bmcl.2009.06.035 | ||
50925491 | 25801 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 493 | 7 | 2 | 3 | 6.2 | CC(C)(C(=O)Nc1ccc(N2CCC(NCC3CC3)CC2)c(Cl)c1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.065 | ||
CHEMBL1288200 | 25801 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 493 | 7 | 2 | 3 | 6.2 | CC(C)(C(=O)Nc1ccc(N2CCC(NCC3CC3)CC2)c(Cl)c1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.065 | ||
45268152 | 202885 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 439 | 4 | 1 | 3 | 5.2 | CC1(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)CCCCC1 | 10.1016/j.bmcl.2009.06.035 | ||
CHEMBL560914 | 202885 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 439 | 4 | 1 | 3 | 5.2 | CC1(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)CCCCC1 | 10.1016/j.bmcl.2009.06.035 | ||
52949765 | 25773 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 403 | 4 | 1 | 3 | 4.8 | CC(C)(C)C(=O)Nc1ccc(N2CCN(Cc3cccc(F)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2010.10.065 | ||
CHEMBL1287985 | 25773 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 403 | 4 | 1 | 3 | 4.8 | CC(C)(C)C(=O)Nc1ccc(N2CCN(Cc3cccc(F)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2010.10.065 | ||
52949775 | 25776 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 403 | 4 | 1 | 3 | 4.8 | CC(C)(C)C(=O)Nc1ccc(N2CCN(Cc3ccc(F)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2010.10.065 | ||
CHEMBL1288015 | 25776 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 403 | 4 | 1 | 3 | 4.8 | CC(C)(C)C(=O)Nc1ccc(N2CCN(Cc3ccc(F)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2010.10.065 | ||
45268145 | 202795 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 429 | 4 | 1 | 4 | 4.3 | COc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)C)cc2Cl)CC1 | 10.1016/j.bmcl.2009.06.035 | ||
CHEMBL560117 | 202795 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 429 | 4 | 1 | 4 | 4.3 | COc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)C)cc2Cl)CC1 | 10.1016/j.bmcl.2009.06.035 | ||
52946124 | 25789 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 399 | 6 | 2 | 3 | 4.8 | CCNC1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.10.065 | ||
CHEMBL1288108 | 25789 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 399 | 6 | 2 | 3 | 4.8 | CCNC1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.10.065 | ||
45269902 | 201975 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 491 | 6 | 1 | 4 | 5.2 | COc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2009.06.035 | ||
CHEMBL550583 | 201975 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 491 | 6 | 1 | 4 | 5.2 | COc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2009.06.035 | ||
44249749 | 20712 | 3 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 492 | 6 | 1 | 5 | 4.6 | COc1cccnc1C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.10.065 | ||
CHEMBL1196581 | 20712 | 3 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 492 | 6 | 1 | 5 | 4.6 | COc1cccnc1C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.10.065 | ||
CHEMBL557502 | 20712 | 3 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 492 | 6 | 1 | 5 | 4.6 | COc1cccnc1C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.10.065 | ||
50925475 | 25800 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 439 | 7 | 2 | 3 | 5.5 | Cc1cccc(C(C)(C)C(=O)Nc2ccc(N3CCC(NCC4CC4)CC3)c(Cl)c2)c1 | 10.1016/j.bmcl.2010.10.065 | ||
CHEMBL1288199 | 25800 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 439 | 7 | 2 | 3 | 5.5 | Cc1cccc(C(C)(C)C(=O)Nc2ccc(N3CCC(NCC4CC4)CC3)c(Cl)c2)c1 | 10.1016/j.bmcl.2010.10.065 | ||
44249749 | 20712 | 3 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 492 | 6 | 1 | 5 | 4.6 | COc1cccnc1C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2009.06.035 | ||
CHEMBL1196581 | 20712 | 3 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 492 | 6 | 1 | 5 | 4.6 | COc1cccnc1C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2009.06.035 | ||
CHEMBL557502 | 20712 | 3 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 492 | 6 | 1 | 5 | 4.6 | COc1cccnc1C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2009.06.035 | ||
52943629 | 25761 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 417 | 3 | 1 | 3 | 4.4 | CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2010.10.065 | ||
CHEMBL1287898 | 25761 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 417 | 3 | 1 | 3 | 4.4 | CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2010.10.065 | ||
52947327 | 25768 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 385 | 4 | 1 | 3 | 4.6 | CC(C)(C)C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2010.10.065 | ||
CHEMBL1287954 | 25768 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 385 | 4 | 1 | 3 | 4.6 | CC(C)(C)C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2010.10.065 | ||
52942508 | 25793 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 413 | 7 | 2 | 3 | 5.2 | CCCNC1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.10.065 | ||
CHEMBL1288139 | 25793 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 413 | 7 | 2 | 3 | 5.2 | CCCNC1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.10.065 | ||
45269879 | 202225 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 413 | 3 | 0 | 3 | 4.3 | CN(C(=O)C(C)(C)C)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2009.06.035 | ||
CHEMBL552393 | 202225 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 413 | 3 | 0 | 3 | 4.3 | CN(C(=O)C(C)(C)C)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2009.06.035 | ||
45273325 | 202499 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 457 | 6 | 1 | 4 | 4.6 | COc1cc(NC(=O)C(C)(C)c2ccccc2)ccc1N1CCN(C(=O)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.06.035 | ||
CHEMBL557098 | 202499 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 457 | 6 | 1 | 4 | 4.6 | COc1cc(NC(=O)C(C)(C)c2ccccc2)ccc1N1CCN(C(=O)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.06.035 | ||
45272453 | 201970 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 529 | 5 | 1 | 3 | 6.2 | CC(C)(C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c(Cl)c1)c1ccccc1 | 10.1016/j.bmcl.2009.06.035 | ||
CHEMBL550559 | 201970 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 529 | 5 | 1 | 3 | 6.2 | CC(C)(C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c(Cl)c1)c1ccccc1 | 10.1016/j.bmcl.2009.06.035 | ||
52947300 | 25749 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 488 | 6 | 1 | 4 | 6.0 | O=C(Nc1ccc(N2CCC(N3CCCCC3)CC2)c(Cl)c1)C(c1ccccc1)c1ccccn1 | 10.1016/j.bmcl.2010.10.065 | ||
CHEMBL1287814 | 25749 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 488 | 6 | 1 | 4 | 6.0 | O=C(Nc1ccc(N2CCC(N3CCCCC3)CC2)c(Cl)c1)C(c1ccccc1)c1ccccn1 | 10.1016/j.bmcl.2010.10.065 | ||
52945324 | 25781 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 439 | 5 | 1 | 3 | 5.7 | CC(C)(C(=O)Nc1ccc(N2CCC(N3CCCCC3)CC2)c(Cl)c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.065 | ||
CHEMBL1288048 | 25781 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 439 | 5 | 1 | 3 | 5.7 | CC(C)(C(=O)Nc1ccc(N2CCC(N3CCCCC3)CC2)c(Cl)c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.065 | ||
45268155 | 202948 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 434 | 5 | 1 | 4 | 3.9 | O=C(Cc1ccccn1)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2009.06.035 | ||
CHEMBL561313 | 202948 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 434 | 5 | 1 | 4 | 3.9 | O=C(Cc1ccccn1)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2009.06.035 | ||
45269036 | 203000 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 427 | 4 | 1 | 4 | 3.8 | O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)C1CCCCO1 | 10.1016/j.bmcl.2009.06.035 | ||
CHEMBL561577 | 203000 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 427 | 4 | 1 | 4 | 3.8 | O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)C1CCCCO1 | 10.1016/j.bmcl.2009.06.035 | ||
45269040 | 203085 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 441 | 5 | 1 | 3 | 4.9 | Cc1cc(NC(=O)C(C)(C)c2ccccc2)ccc1N1CCN(C(=O)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.06.035 | ||
CHEMBL562179 | 203085 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 441 | 5 | 1 | 3 | 4.9 | Cc1cc(NC(=O)C(C)(C)c2ccccc2)ccc1N1CCN(C(=O)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.06.035 | ||
45267282 | 203393 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 429 | 4 | 1 | 4 | 4.3 | COc1cccc(C(=O)N2CCN(c3ccc(NC(=O)C(C)(C)C)cc3Cl)CC2)c1 | 10.1016/j.bmcl.2009.06.035 | ||
CHEMBL564159 | 203393 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 429 | 4 | 1 | 4 | 4.3 | COc1cccc(C(=O)N2CCN(c3ccc(NC(=O)C(C)(C)C)cc3Cl)CC2)c1 | 10.1016/j.bmcl.2009.06.035 | ||
45269896 | 201890 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 461 | 5 | 1 | 3 | 5.2 | CC(C)(C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1Cl)c1ccccc1 | 10.1016/j.bmcl.2009.06.035 | ||
CHEMBL549976 | 201890 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 461 | 5 | 1 | 3 | 5.2 | CC(C)(C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1Cl)c1ccccc1 | 10.1016/j.bmcl.2009.06.035 | ||
52941248 | 25772 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 403 | 4 | 1 | 3 | 4.8 | CC(C)(C)C(=O)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)c(Cl)c1 | 10.1016/j.bmcl.2010.10.065 | ||
CHEMBL1287984 | 25772 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 403 | 4 | 1 | 3 | 4.8 | CC(C)(C)C(=O)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)c(Cl)c1 | 10.1016/j.bmcl.2010.10.065 | ||
52947384 | 25806 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 495 | 7 | 2 | 5 | 5.0 | CC(C)(C(=O)Nc1ccc(N2CCC(NCC3CC3)CC2)c(Cl)c1)c1nccc(C(F)(F)F)n1 | 10.1016/j.bmcl.2010.10.065 | ||
CHEMBL1288227 | 25806 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 495 | 7 | 2 | 5 | 5.0 | CC(C)(C(=O)Nc1ccc(N2CCC(NCC3CC3)CC2)c(Cl)c1)c1nccc(C(F)(F)F)n1 | 10.1016/j.bmcl.2010.10.065 | ||
45271536 | 202059 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 475 | 5 | 1 | 3 | 5.5 | Cc1cccc(C(C)(C)C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)c1 | 10.1016/j.bmcl.2009.06.035 | ||
CHEMBL551311 | 202059 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 475 | 5 | 1 | 3 | 5.5 | Cc1cccc(C(C)(C)C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)c1 | 10.1016/j.bmcl.2009.06.035 | ||
52942479 | 25777 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 487 | 6 | 1 | 3 | 6.6 | O=C(Nc1ccc(N2CCC(N3CCCCC3)CC2)c(Cl)c1)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2010.10.065 | ||
CHEMBL1288016 | 25777 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 487 | 6 | 1 | 3 | 6.6 | O=C(Nc1ccc(N2CCC(N3CCCCC3)CC2)c(Cl)c1)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2010.10.065 | ||
45269027 | 203310 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 413 | 5 | 1 | 3 | 4.7 | CCC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2009.06.035 | ||
CHEMBL563650 | 203310 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 413 | 5 | 1 | 3 | 4.7 | CCC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2009.06.035 | ||
52950120 | 25762 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 417 | 3 | 1 | 3 | 4.4 | CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2010.10.065 | ||
CHEMBL1287899 | 25762 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 417 | 3 | 1 | 3 | 4.4 | CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2010.10.065 | ||
1294837 | 201626 | 10 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 399 | 3 | 1 | 3 | 4.3 | CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2010.10.065 | ||
CHEMBL539730 | 201626 | 10 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 399 | 3 | 1 | 3 | 4.3 | CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2010.10.065 | ||
1294837 | 201626 | 10 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 399 | 3 | 1 | 3 | 4.3 | CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2009.06.035 | ||
CHEMBL539730 | 201626 | 10 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 399 | 3 | 1 | 3 | 4.3 | CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2009.06.035 | ||
17118052 | 203173 | 2 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 509 | 6 | 1 | 3 | 6.1 | O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2009.06.035 | ||
CHEMBL562725 | 203173 | 2 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 509 | 6 | 1 | 3 | 6.1 | O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2009.06.035 | ||
52948566 | 25785 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 453 | 5 | 1 | 3 | 6.0 | Cc1cccc(C(C)(C)C(=O)Nc2ccc(N3CCC(N4CCCCC4)CC3)c(Cl)c2)c1 | 10.1016/j.bmcl.2010.10.065 | ||
CHEMBL1288077 | 25785 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 453 | 5 | 1 | 3 | 6.0 | Cc1cccc(C(C)(C)C(=O)Nc2ccc(N3CCC(N4CCCCC4)CC3)c(Cl)c2)c1 | 10.1016/j.bmcl.2010.10.065 | ||
45268161 | 203017 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 445 | 5 | 1 | 3 | 4.7 | CC(C)(C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(F)c1)c1ccccc1 | 10.1016/j.bmcl.2009.06.035 | ||
CHEMBL561719 | 203017 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 445 | 5 | 1 | 3 | 4.7 | CC(C)(C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(F)c1)c1ccccc1 | 10.1016/j.bmcl.2009.06.035 | ||
52949834 | 25809 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 427 | 8 | 2 | 5 | 4.2 | CCC(C(=O)Nc1ccc(N2CCC(NCC3CC3)CC2)c(Cl)c1)c1ncccn1 | 10.1016/j.bmcl.2010.10.065 | ||
CHEMBL1288257 | 25809 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 427 | 8 | 2 | 5 | 4.2 | CCC(C(=O)Nc1ccc(N2CCC(NCC3CC3)CC2)c(Cl)c1)c1ncccn1 | 10.1016/j.bmcl.2010.10.065 | ||
45272450 | 203222 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 495 | 5 | 1 | 3 | 5.6 | CC(C)(C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2009.06.035 | ||
CHEMBL563037 | 203222 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 495 | 5 | 1 | 3 | 5.6 | CC(C)(C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2009.06.035 | ||
52949776 | 25782 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 451 | 5 | 1 | 3 | 5.9 | O=C(Nc1ccc(N2CCC(N3CCCCC3)CC2)c(Cl)c1)C1(c2ccccc2)CCC1 | 10.1016/j.bmcl.2010.10.065 | ||
CHEMBL1288049 | 25782 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 451 | 5 | 1 | 3 | 5.9 | O=C(Nc1ccc(N2CCC(N3CCCCC3)CC2)c(Cl)c1)C1(c2ccccc2)CCC1 | 10.1016/j.bmcl.2010.10.065 | ||
52947375 | 25795 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 427 | 7 | 2 | 3 | 5.5 | CC(C)CNC1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.10.065 | ||
CHEMBL1288169 | 25795 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 427 | 7 | 2 | 3 | 5.5 | CC(C)CNC1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.10.065 | ||
22779969 | 201844 | 2 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 433 | 5 | 1 | 3 | 4.5 | O=C(Cc1ccccc1)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2009.06.035 | ||
CHEMBL549565 | 201844 | 2 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 433 | 5 | 1 | 3 | 4.5 | O=C(Cc1ccccc1)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2009.06.035 | ||
45269874 | 203299 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 467 | 3 | 1 | 3 | 5.3 | CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c(Cl)c1 | 10.1016/j.bmcl.2009.06.035 | ||
CHEMBL563568 | 203299 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 467 | 3 | 1 | 3 | 5.3 | CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c(Cl)c1 | 10.1016/j.bmcl.2009.06.035 | ||
52943733 | 25808 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 441 | 7 | 2 | 5 | 4.3 | Cc1ccnc(C(C)(C)C(=O)Nc2ccc(N3CCC(NCC4CC4)CC3)c(Cl)c2)n1 | 10.1016/j.bmcl.2010.10.065 | ||
CHEMBL1288256 | 25808 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 441 | 7 | 2 | 5 | 4.3 | Cc1ccnc(C(C)(C)C(=O)Nc2ccc(N3CCC(NCC4CC4)CC3)c(Cl)c2)n1 | 10.1016/j.bmcl.2010.10.065 | ||
10324083 | 8928 | 31 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | Guide to Pharmacology | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 14617685 | ||
3504 | 8928 | 31 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | Guide to Pharmacology | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 14617685 | ||
CHEMBL21283 | 8928 | 31 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | Guide to Pharmacology | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 14617685 | ||
1547 | 7420 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | 895 | 16 | 5 | 11 | 3.3 | NC(=NCCC[C@@H](C(=O)NCCn1c(=O)n(n(c1=O)c1ccccc1)c1ccccc1)NC(=O)CC1(CCCC1)CC(=O)N1CCN(CC1)C1c2ccccc2NC(=O)c2c1cccc2)N | 10611450 | ||
9811493 | 7420 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | 895 | 16 | 5 | 11 | 3.3 | NC(=NCCC[C@@H](C(=O)NCCn1c(=O)n(n(c1=O)c1ccccc1)c1ccccc1)NC(=O)CC1(CCCC1)CC(=O)N1CCN(CC1)C1c2ccccc2NC(=O)c2c1cccc2)N | 10611450 | ||
CHEMBL540989 | 7420 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | 895 | 16 | 5 | 11 | 3.3 | NC(=NCCC[C@@H](C(=O)NCCn1c(=O)n(n(c1=O)c1ccccc1)c1ccccc1)NC(=O)CC1(CCCC1)CC(=O)N1CCN(CC1)C1c2ccccc2NC(=O)c2c1cccc2)N | 10611450 | ||
1522 | 7124 | 0 | None | -125 | 5 | Human | 6.1 | pIC50 | None | 6.1 | Functional | Guide to Pharmacology | None | None | None | None | 12069595 |
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | |||||||||||||||||||
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Sel. page | Similar- ity |
Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
135398735 | 143746 | 32 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | |||
136262914 | 143746 | 32 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | |||
CHEMBL374478 | 143746 | 32 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | |||
CHEMBL5271764 | 200476 | 0 | None | - | 0 | Human | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | 4251 | 131 | 62 | 59 | -16.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | |||
CHEMBL5271764 | 200476 | 0 | None | - | 0 | Human | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | 4251 | 131 | 62 | 59 | -16.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | |||
CHEMBL5270985 | 200445 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 4731 | 140 | 64 | 66 | -12.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | |||
CHEMBL5270985 | 200445 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 4731 | 140 | 64 | 66 | -12.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | |||
CHEMBL5277749 | 200725 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 5106 | 152 | 68 | 70 | -12.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | |||
CHEMBL5277749 | 200725 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 5106 | 152 | 68 | 70 | -12.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | |||
CHEMBL428017 | 220181 | 17 | None | 41 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2013.11.061 | |||||
CHEMBL3104112 | 217832 | 0 | None | 69 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)c1cccnc1SCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2013.11.061 | |||||
CHEMBL5285523 | 201079 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 4254 | 127 | 60 | 57 | -13.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | |||
CHEMBL5285523 | 201079 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 4254 | 127 | 60 | 57 | -13.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | |||
1504 | 9583 | 8 | None | -2 | 10 | Human | 10.6 | pIC50 | = | 10.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | |||||
1518 | 9583 | 8 | None | -2 | 10 | Human | 10.6 | pIC50 | = | 10.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | |||||
1521 | 9583 | 8 | None | -2 | 10 | Human | 10.6 | pIC50 | = | 10.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | |||||
24868177 | 9583 | 8 | None | -2 | 10 | Human | 10.6 | pIC50 | = | 10.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | |||||
44288922 | 9583 | 8 | None | -2 | 10 | Human | 10.6 | pIC50 | = | 10.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | |||||
77068007 | 9583 | 8 | None | -2 | 10 | Human | 10.6 | pIC50 | = | 10.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | |||||
90479759 | 9583 | 8 | None | -2 | 10 | Human | 10.6 | pIC50 | = | 10.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | |||||
CHEMBL438945 | 9583 | 8 | None | -2 | 10 | Human | 10.6 | pIC50 | = | 10.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | |||||
16145166 | 168206 | 0 | None | - | 0 | Rat | 10.3 | pIC50 | = | 10.3 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
44342931 | 168206 | 0 | None | - | 0 | Rat | 10.3 | pIC50 | = | 10.3 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
91931431 | 168206 | 0 | None | - | 0 | Rat | 10.3 | pIC50 | = | 10.3 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL412704 | 168206 | 0 | None | - | 0 | Rat | 10.3 | pIC50 | = | 10.3 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
1515 | 9826 | 0 | None | -5 | 6 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000052z | |||||
CHEMBL269503 | 9826 | 0 | None | -5 | 6 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000052z | |||||
1504 | 9583 | 8 | None | -2 | 10 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | |||||
1518 | 9583 | 8 | None | -2 | 10 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | |||||
1521 | 9583 | 8 | None | -2 | 10 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | |||||
24868177 | 9583 | 8 | None | -2 | 10 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | |||||
44288922 | 9583 | 8 | None | -2 | 10 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | |||||
77068007 | 9583 | 8 | None | -2 | 10 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | |||||
90479759 | 9583 | 8 | None | -2 | 10 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | |||||
CHEMBL438945 | 9583 | 8 | None | -2 | 10 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | |||||
1515 | 9826 | 0 | None | -1 | 6 | Rat | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000052z | |||||
CHEMBL269503 | 9826 | 0 | None | -1 | 6 | Rat | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000052z | |||||
CHEMBL4216889 | 220059 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
1504 | 9583 | 8 | None | -2 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
1518 | 9583 | 8 | None | -2 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
1521 | 9583 | 8 | None | -2 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
24868177 | 9583 | 8 | None | -2 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
44288922 | 9583 | 8 | None | -2 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
77068007 | 9583 | 8 | None | -2 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
90479759 | 9583 | 8 | None | -2 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
CHEMBL438945 | 9583 | 8 | None | -2 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
CHEMBL4224835 | 220069 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | CCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](CO)C(=O)N2C[C@@H](O)C[C@@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccncc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCNC(=O)C2CCNCC2)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC2CCCCC2)C(N)=O)[C@@H](C)O)C(=O)O)CC1 | 10.1016/j.bmc.2017.12.014 | |||||
CHEMBL4226347 | 220080 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | CCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)NCCCC[C@H](N)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]2C[C@H](O)CN2C(=O)[C@H](CO)NC(=O)c2c[nH]cn2)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC2CCCCC2)C(N)=O)[C@@H](C)O)C(=O)O)CC1 | 10.1016/j.bmc.2017.12.014 | |||||
91928728 | 217504 | 17 | None | 7 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm8007618 | |||||
CHEMBL267633 | 217504 | 17 | None | 7 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm8007618 | |||||
CHEMBL2392022 | 217192 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2013.01.025 | |||||
CHEMBL4208191 | 220038 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | None | None | None | CC[C@@](C)(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
16147801 | 87266 | 0 | None | - | 0 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 1989 | 63 | 30 | 26 | -7.7 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
44342360 | 87266 | 0 | None | - | 0 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 1989 | 63 | 30 | 26 | -7.7 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
91931424 | 87266 | 0 | None | - | 0 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 1989 | 63 | 30 | 26 | -7.7 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL214707 | 87266 | 0 | None | - | 0 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 1989 | 63 | 30 | 26 | -7.7 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
72548703 | 168346 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | |||
CHEMBL4128926 | 168346 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | |||
CHEMBL4207076 | 220035 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | CC[C@@](C)(NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
44342809 | 168076 | 0 | None | - | 0 | Rat | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 1989 | 66 | 30 | 26 | -7.3 | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm000052z | |||
91931442 | 168076 | 0 | None | - | 0 | Rat | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 1989 | 66 | 30 | 26 | -7.3 | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm000052z | |||
CHEMBL412257 | 168076 | 0 | None | - | 0 | Rat | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 1989 | 66 | 30 | 26 | -7.3 | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm000052z | |||
CHEMBL4210786 | 220043 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)c1c[nH]cn1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
91928728 | 217504 | 17 | None | 7 | 2 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm000052z | |||||
CHEMBL267633 | 217504 | 17 | None | 7 | 2 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm000052z | |||||
16146061 | 175736 | 0 | None | - | 0 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CN[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | |||
44342840 | 175736 | 0 | None | - | 0 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CN[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | |||
91931430 | 175736 | 0 | None | - | 0 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CN[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | |||
CHEMBL438923 | 175736 | 0 | None | - | 0 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CN[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | |||
CHEMBL441007 | 220655 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL4212927 | 220052 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL4211953 | 220049 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CO)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL4211310 | 220045 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@](C)(CC)NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)c1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
1505 | 9656 | 0 | None | - | 4 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00007a012 | |||||
CHEMBL441396 | 9656 | 0 | None | - | 4 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00007a012 | |||||
CHEMBL4204797 | 220026 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL4216864 | 220058 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@](C)(CC)NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
137639373 | 163465 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 1860 | 56 | 27 | 23 | -4.9 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4069788 | 163465 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 1860 | 56 | 27 | 23 | -4.9 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
1504 | 9583 | 8 | None | -2 | 10 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80696-4 | |||||
1518 | 9583 | 8 | None | -2 | 10 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80696-4 | |||||
1521 | 9583 | 8 | None | -2 | 10 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80696-4 | |||||
24868177 | 9583 | 8 | None | -2 | 10 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80696-4 | |||||
44288922 | 9583 | 8 | None | -2 | 10 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80696-4 | |||||
77068007 | 9583 | 8 | None | -2 | 10 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80696-4 | |||||
90479759 | 9583 | 8 | None | -2 | 10 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80696-4 | |||||
CHEMBL438945 | 9583 | 8 | None | -2 | 10 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80696-4 | |||||
CHEMBL4207590 | 220036 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)c1c[nH]cn1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
137637360 | 162900 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 1864 | 58 | 29 | 24 | -6.5 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4063306 | 162900 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 1864 | 58 | 29 | 24 | -6.5 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL411200 | 219650 | 0 | None | - | 0 | Rat | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm000052z | |||||
137638459 | 163474 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 4047 | 129 | 61 | 56 | -16.9 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@H](C)O)C(C)C | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4069932 | 163474 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 4047 | 129 | 61 | 56 | -16.9 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@H](C)O)C(C)C | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4202723 | 220022 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@](C)(CC)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL439904 | 220633 | 13 | None | 50 | 3 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL439904 | 220633 | 13 | None | 50 | 3 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2017.06.055 | |||||
CHEMBL4206938 | 220034 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL266021 | 217452 | 0 | None | - | 0 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm000052z | |||||
CHEMBL412698 | 219797 | 0 | None | - | 0 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
137634023 | 163411 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 1892 | 58 | 31 | 24 | -7.4 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4069205 | 163411 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 1892 | 58 | 31 | 24 | -7.4 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL410938 | 219630 | 0 | None | - | 0 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL441007 | 220655 | 0 | None | - | 0 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL4208856 | 220039 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | CC[C@@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
137651823 | 163958 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 1865 | 56 | 29 | 24 | -6.6 | CC(=O)N[C@@H](CO)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4075597 | 163958 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 1865 | 56 | 29 | 24 | -6.6 | CC(=O)N[C@@H](CO)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
137655430 | 165587 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 1865 | 56 | 29 | 24 | -6.6 | CC(=O)N[C@@H](CO)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4094429 | 165587 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 1865 | 56 | 29 | 24 | -6.6 | CC(=O)N[C@@H](CO)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4208023 | 220037 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL269267 | 217563 | 0 | None | - | 2 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL4206417 | 220032 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)c1c[nH]cn1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
137637657 | 163018 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 1807 | 56 | 28 | 24 | -7.4 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||
CHEMBL4064778 | 163018 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 1807 | 56 | 28 | 24 | -7.4 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||
137637657 | 163018 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 1807 | 56 | 28 | 24 | -7.4 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4064778 | 163018 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 1807 | 56 | 28 | 24 | -7.4 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
137646370 | 164808 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 1823 | 56 | 28 | 23 | -6.1 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@](C)(CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4085697 | 164808 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 1823 | 56 | 28 | 23 | -6.1 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@](C)(CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
137644502 | 165252 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 1799 | 55 | 28 | 23 | -6.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4090786 | 165252 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 1799 | 55 | 28 | 23 | -6.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL412698 | 219797 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL430274 | 220395 | 0 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccsc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
16147483 | 148247 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 1939 | 63 | 29 | 25 | -7.6 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
44342359 | 148247 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 1939 | 63 | 29 | 25 | -7.6 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
91931420 | 148247 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 1939 | 63 | 29 | 25 | -7.6 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL384306 | 148247 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 1939 | 63 | 29 | 25 | -7.6 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL411637 | 219732 | 0 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL410792 | 219620 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
137658962 | 165849 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 1840 | 57 | 28 | 23 | -6.3 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4097195 | 165849 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 1840 | 57 | 28 | 23 | -6.3 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
16147483 | 148247 | 0 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 1939 | 63 | 29 | 25 | -7.6 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
44342359 | 148247 | 0 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 1939 | 63 | 29 | 25 | -7.6 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
91931420 | 148247 | 0 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 1939 | 63 | 29 | 25 | -7.6 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL384306 | 148247 | 0 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 1939 | 63 | 29 | 25 | -7.6 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL429905 | 220326 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL4203253 | 220024 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)CO)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
137641708 | 165181 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1850 | 57 | 29 | 24 | -6.9 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4090092 | 165181 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1850 | 57 | 29 | 24 | -6.9 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL269267 | 217563 | 0 | None | 13 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL4210343 | 220042 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)C(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
137632397 | 163065 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1849 | 57 | 28 | 23 | -5.4 | CCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4065281 | 163065 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1849 | 57 | 28 | 23 | -5.4 | CCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
16145166 | 168206 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
44342931 | 168206 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
91931431 | 168206 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL412704 | 168206 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
16147801 | 87266 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1989 | 63 | 30 | 26 | -7.7 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
44342360 | 87266 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1989 | 63 | 30 | 26 | -7.7 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
91931424 | 87266 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1989 | 63 | 30 | 26 | -7.7 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL214707 | 87266 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1989 | 63 | 30 | 26 | -7.7 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
137661485 | 166253 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1781 | 54 | 28 | 23 | -7.1 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4101589 | 166253 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1781 | 54 | 28 | 23 | -7.1 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
137643080 | 165246 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1849 | 56 | 28 | 23 | -5.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4090700 | 165246 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1849 | 56 | 28 | 23 | -5.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
137638723 | 163755 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1849 | 56 | 28 | 23 | -5.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||
CHEMBL4073010 | 163755 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1849 | 56 | 28 | 23 | -5.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||
CHEMBL4211438 | 220046 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)c1ccccc1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
137638723 | 163755 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1849 | 56 | 28 | 23 | -5.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4073010 | 163755 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1849 | 56 | 28 | 23 | -5.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
137634780 | 162762 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1894 | 60 | 30 | 24 | -5.7 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4061596 | 162762 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1894 | 60 | 30 | 24 | -5.7 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
44342809 | 168076 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1989 | 66 | 30 | 26 | -7.3 | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm000052z | |||
91931442 | 168076 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1989 | 66 | 30 | 26 | -7.3 | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm000052z | |||
CHEMBL412257 | 168076 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1989 | 66 | 30 | 26 | -7.3 | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm000052z | |||
CHEMBL4211441 | 220047 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL4212566 | 220050 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL413612 | 219856 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL262221 | 217312 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)C(c1ccccc1)c1ccccc1 | 10.1021/jm000052z | |||||
56670260 | 71812 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 564 | 9 | 1 | 4 | 6.5 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823360 | 71812 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 564 | 9 | 1 | 4 | 6.5 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
10324083 | 8928 | 31 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2009.06.035 | |||
3504 | 8928 | 31 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL21283 | 8928 | 31 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2009.06.035 | |||
10324083 | 8928 | 31 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2013.11.061 | |||
3504 | 8928 | 31 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL21283 | 8928 | 31 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2013.11.061 | |||
58870680 | 111281 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 516 | 10 | 1 | 4 | 5.6 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(Cl)cc3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104192 | 111281 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 516 | 10 | 1 | 4 | 5.6 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(Cl)cc3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
58870667 | 111286 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 498 | 10 | 2 | 5 | 4.6 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(O)cc3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104197 | 111286 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 498 | 10 | 2 | 5 | 4.6 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(O)cc3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
10324083 | 8928 | 31 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2011.06.136 | |||
3504 | 8928 | 31 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL21283 | 8928 | 31 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2011.06.136 | |||
56677101 | 71800 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 519 | 7 | 1 | 5 | 6.0 | COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2C)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823348 | 71800 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 519 | 7 | 1 | 5 | 6.0 | COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2C)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL438935 | 220593 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
44329354 | 118766 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 432 | 10 | 0 | 3 | 6.1 | CC(C(=O)N(CCCN(C)C)c1ccccc1SCc1ccccc1)c1ccccc1 | 10.1016/s0960-894x(03)00554-7 | |||
CHEMBL328861 | 118766 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 432 | 10 | 0 | 3 | 6.1 | CC(C(=O)N(CCCN(C)C)c1ccccc1SCc1ccccc1)c1ccccc1 | 10.1016/s0960-894x(03)00554-7 | |||
10456979 | 214470 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 460 | 9 | 0 | 4 | 6.8 | CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1 | 10.1016/s0960-894x(03)00554-7 | |||
CHEMBL95501 | 214470 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 460 | 9 | 0 | 4 | 6.8 | CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1 | 10.1016/s0960-894x(03)00554-7 | |||
11272082 | 90035 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 504 | 6 | 0 | 4 | 5.2 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C#N)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21877 | 90035 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 504 | 6 | 0 | 4 | 5.2 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C#N)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
10456979 | 214470 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 460 | 9 | 0 | 4 | 6.8 | CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL95501 | 214470 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 460 | 9 | 0 | 4 | 6.8 | CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1 | 10.1016/j.bmcl.2013.11.061 | |||
11272082 | 90035 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 504 | 6 | 0 | 4 | 5.2 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C#N)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL21877 | 90035 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 504 | 6 | 0 | 4 | 5.2 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C#N)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
44329247 | 118765 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 430 | 10 | 0 | 3 | 6.0 | CN(C)CCCN(C(=O)/C=C/c1ccccc1)c1ccccc1SCc1ccccc1 | 10.1016/s0960-894x(03)00554-7 | |||
CHEMBL328860 | 118765 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 430 | 10 | 0 | 3 | 6.0 | CN(C)CCCN(C(=O)/C=C/c1ccccc1)c1ccccc1SCc1ccccc1 | 10.1016/s0960-894x(03)00554-7 | |||
11431881 | 85049 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 493 | 6 | 0 | 3 | 5.7 | CC(=O)N1CCCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21071 | 85049 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 493 | 6 | 0 | 3 | 5.7 | CC(=O)N1CCCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
9820766 | 172025 | 41 | None | - | 1 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 371 | 4 | 1 | 6 | 3.7 | CC(C)c1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+](=O)[O-] | 10.1016/0960-894X(96)00319-8 | |||
CHEMBL422942 | 172025 | 41 | None | - | 1 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 371 | 4 | 1 | 6 | 3.7 | CC(C)c1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+](=O)[O-] | 10.1016/0960-894X(96)00319-8 | |||
44329247 | 118765 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 430 | 10 | 0 | 3 | 6.0 | CN(C)CCCN(C(=O)/C=C/c1ccccc1)c1ccccc1SCc1ccccc1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL328860 | 118765 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 430 | 10 | 0 | 3 | 6.0 | CN(C)CCCN(C(=O)/C=C/c1ccccc1)c1ccccc1SCc1ccccc1 | 10.1016/j.bmcl.2013.11.061 | |||
11431881 | 85049 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 493 | 6 | 0 | 3 | 5.7 | CC(=O)N1CCCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL21071 | 85049 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 493 | 6 | 0 | 3 | 5.7 | CC(=O)N1CCCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
42647273 | 111256 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 464 | 7 | 0 | 5 | 4.8 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104119 | 111256 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 464 | 7 | 0 | 5 | 4.8 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
16146329 | 89255 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CN[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
44342802 | 89255 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CN[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
91931419 | 89255 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CN[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL217692 | 89255 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CN[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
42628839 | 111269 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 486 | 8 | 0 | 7 | 4.5 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C(C)C)no3)cc2C#N)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104180 | 111269 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 486 | 8 | 0 | 7 | 4.5 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C(C)C)no3)cc2C#N)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
137643148 | 164853 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 1813 | 58 | 28 | 22 | -4.6 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4086266 | 164853 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 1813 | 58 | 28 | 22 | -4.6 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
56659931 | 71806 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 543 | 8 | 2 | 5 | 5.5 | CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2C#N)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823354 | 71806 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 543 | 8 | 2 | 5 | 5.5 | CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2C#N)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
137651435 | 164070 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 1833 | 56 | 29 | 24 | -7.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4076934 | 164070 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 1833 | 56 | 29 | 24 | -7.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL405527 | 219343 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
16146329 | 89255 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CN[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
44342802 | 89255 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CN[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
91931419 | 89255 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CN[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL217692 | 89255 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CN[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
58055756 | 111250 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 467 | 7 | 0 | 6 | 4.4 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C)ns3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104113 | 111250 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 467 | 7 | 0 | 6 | 4.4 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C)ns3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
11306287 | 89177 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 485 | 6 | 0 | 3 | 5.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CC4CCCCC4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21728 | 89177 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 485 | 6 | 0 | 3 | 5.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CC4CCCCC4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11203422 | 90141 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 533 | 7 | 0 | 3 | 6.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(Cl)cc3)C3CCN(CCC4CCCCC4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21935 | 90141 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 533 | 7 | 0 | 3 | 6.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(Cl)cc3)C3CCN(CCC4CCCCC4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11409805 | 175915 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 519 | 7 | 0 | 3 | 6.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(Cl)cc3)C3CCN(CCC4CCCC4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL440278 | 175915 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 519 | 7 | 0 | 3 | 6.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(Cl)cc3)C3CCN(CCC4CCCC4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11306287 | 89177 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 485 | 6 | 0 | 3 | 5.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CC4CCCCC4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL21728 | 89177 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 485 | 6 | 0 | 3 | 5.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CC4CCCCC4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
44274435 | 174577 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 493 | 7 | 0 | 3 | 5.7 | CC(=O)N1CCc2ccc(N(C(=O)C/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL430532 | 174577 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 493 | 7 | 0 | 3 | 5.7 | CC(=O)N1CCc2ccc(N(C(=O)C/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
76321092 | 111310 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 493 | 6 | 0 | 3 | 5.4 | CC(=O)N1CCc2ccc(N(C(=O)[C@H]3C[C@@H]3c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104221 | 111310 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 493 | 6 | 0 | 3 | 5.4 | CC(=O)N1CCc2ccc(N(C(=O)[C@H]3C[C@@H]3c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
10916418 | 211918 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 401 | 5 | 2 | 3 | 5.4 | CCn1c2ccccc2c2cc(NC(=O)N(C)[C@H](C)[C@@H](O)c3ccccc3)ccc21 | 10.1021/jm0004547 | |||
CHEMBL78040 | 211918 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 401 | 5 | 2 | 3 | 5.4 | CCn1c2ccccc2c2cc(NC(=O)N(C)[C@H](C)[C@@H](O)c3ccccc3)ccc21 | 10.1021/jm0004547 | |||
CHEMBL274850 | 217595 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC | 10.1021/jm00007a012 | |||||
CHEMBL383861 | 219093 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC | 10.1021/jm00007a012 | |||||
16667091 | 111289 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 481 | 10 | 1 | 3 | 6.1 | CCC(CC)C(=O)Nc1ccc(N2CCC(C(C(=O)N(CC)CC)c3ccccc3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104200 | 111289 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 481 | 10 | 1 | 3 | 6.1 | CCC(CC)C(=O)Nc1ccc(N2CCC(C(C(=O)N(CC)CC)c3ccccc3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
137648110 | 164469 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1813 | 58 | 28 | 22 | -4.6 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CO)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4081798 | 164469 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1813 | 58 | 28 | 22 | -4.6 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CO)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
71713780 | 98169 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 535 | 8 | 2 | 3 | 6.9 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
CHEMBL2402905 | 98169 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 535 | 8 | 2 | 3 | 6.9 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
16667090 | 98197 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 521 | 8 | 2 | 5 | 5.9 | CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Nc3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
CHEMBL2403028 | 98197 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 521 | 8 | 2 | 5 | 5.9 | CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Nc3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
11236982 | 82181 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 480 | 6 | 0 | 4 | 4.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccncc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL20400 | 82181 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 480 | 6 | 0 | 4 | 4.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccncc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11237245 | 91054 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 493 | 11 | 0 | 3 | 5.7 | C=CCN(CCCN(C(=O)/C=C/c1ccccc1)c1ccc2c(c1)N(C(C)=O)CC2)Cc1ccccc1 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL22131 | 91054 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 493 | 11 | 0 | 3 | 5.7 | C=CCN(CCCN(C(=O)/C=C/c1ccccc1)c1ccc2c(c1)N(C(C)=O)CC2)Cc1ccccc1 | 10.1016/j.bmcl.2003.12.057 | |||
11328497 | 174872 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 453 | 9 | 1 | 3 | 4.8 | CC(=O)N1CCc2ccc(N(CCCNCc3ccccc3)C(=O)/C=C/c3ccccc3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL432651 | 174872 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 453 | 9 | 1 | 3 | 4.8 | CC(=O)N1CCc2ccc(N(CCCNCc3ccccc3)C(=O)/C=C/c3ccccc3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11236982 | 82181 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 480 | 6 | 0 | 4 | 4.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccncc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL20400 | 82181 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 480 | 6 | 0 | 4 | 4.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccncc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL4224861 | 220070 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)c1c[nH]cn1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCNC(=O)[C@@H](N)CCCCNC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)CC1)C(=O)O)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.12.014 | |||||
CHEMBL4225372 | 220076 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)CC1)C(=O)O)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.12.014 | |||||
56672399 | 71825 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 489 | 10 | 1 | 5 | 4.7 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccccc3)CC2)c(C#N)c1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823575 | 71825 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 489 | 10 | 1 | 5 | 4.7 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccccc3)CC2)c(C#N)c1 | 10.1016/j.bmcl.2011.06.136 | |||
58055771 | 111273 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 479 | 8 | 0 | 6 | 4.7 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3noc(C(C)C)n3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104184 | 111273 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 479 | 8 | 0 | 6 | 4.7 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3noc(C(C)C)n3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL386822 | 219173 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00007a012 | |||||
CHEMBL2440185 | 217254 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm4008505 | |||||
58870752 | 111291 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 520 | 9 | 1 | 5 | 5.5 | CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Cc3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104202 | 111291 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 520 | 9 | 1 | 5 | 5.5 | CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Cc3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
25151875 | 71828 | 2 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 565 | 9 | 1 | 5 | 5.9 | CCN(CC)C(=O)[C@H](c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823578 | 71828 | 2 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 565 | 9 | 1 | 5 | 5.9 | CCN(CC)C(=O)[C@H](c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL429905 | 220326 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL412378 | 219767 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL3578015 | 218545 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCCNC(=O)CCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | |||||
CHEMBL3578015 | 218545 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCCNC(=O)CCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | |||||
11752266 | 105967 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 493 | 6 | 0 | 3 | 5.6 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL281387 | 105967 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 493 | 6 | 0 | 3 | 5.6 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11752266 | 105967 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 493 | 6 | 0 | 3 | 5.6 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL281387 | 105967 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 493 | 6 | 0 | 3 | 5.6 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
1507 | 9658 | 0 | None | - | 7 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00007a012 | |||||
44351001 | 9658 | 0 | None | - | 7 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00007a012 | |||||
91929182 | 9658 | 0 | None | - | 7 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00007a012 | |||||
CHEMBL265849 | 9658 | 0 | None | - | 7 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00007a012 | |||||
16058735 | 98196 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 493 | 7 | 3 | 5 | 5.2 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Nc3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
CHEMBL2403027 | 98196 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 493 | 7 | 3 | 5 | 5.2 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Nc3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
68873961 | 111265 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 479 | 9 | 1 | 6 | 5.1 | CCc1nc(C(c2ccccc2)N2CCN(c3ccc(NC(=O)C(CC)CC)cc3F)CC2)no1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104176 | 111265 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 479 | 9 | 1 | 6 | 5.1 | CCc1nc(C(c2ccccc2)N2CCN(c3ccc(NC(=O)C(CC)CC)cc3F)CC2)no1 | 10.1016/j.bmcl.2013.11.061 | |||
58870776 | 111288 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 518 | 10 | 1 | 4 | 5.2 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(F)cc3F)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104199 | 111288 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 518 | 10 | 1 | 4 | 5.2 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(F)cc3F)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
56680424 | 71810 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 461 | 9 | 2 | 5 | 3.9 | CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)C(CC)CC)cc2C#N)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823358 | 71810 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 461 | 9 | 2 | 5 | 3.9 | CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)C(CC)CC)cc2C#N)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
11156574 | 91034 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 515 | 7 | 0 | 4 | 4.7 | CS(=O)(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL22119 | 91034 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 515 | 7 | 0 | 4 | 4.7 | CS(=O)(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11156574 | 91034 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 515 | 7 | 0 | 4 | 4.7 | CS(=O)(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL22119 | 91034 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 515 | 7 | 0 | 4 | 4.7 | CS(=O)(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL438935 | 220593 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL415176 | 219956 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC)C1CCCCC1 | 10.1016/S0960-894X(00)80696-4 | |||||
16667180 | 111294 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 522 | 8 | 2 | 6 | 4.8 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)Nc3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104205 | 111294 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 522 | 8 | 2 | 6 | 4.8 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)Nc3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL4205282 | 220028 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL262221 | 217312 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)C(c1ccccc1)c1ccccc1 | 10.1021/jm000052z | |||||
CHEMBL266077 | 217454 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1016/S0960-894X(00)80696-4 | |||||
58055782 | 111255 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 469 | 8 | 0 | 6 | 4.1 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3noc(CF)n3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104118 | 111255 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 469 | 8 | 0 | 6 | 4.1 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3noc(CF)n3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
11375032 | 88905 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 479 | 6 | 0 | 3 | 5.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCCN(Cc4ccccc4)C3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21670 | 88905 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 479 | 6 | 0 | 3 | 5.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCCN(Cc4ccccc4)C3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
58870735 | 98195 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 502 | 7 | 3 | 3 | 6.2 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Nc3c(C)cccc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
CHEMBL2403026 | 98195 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 502 | 7 | 3 | 3 | 6.2 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Nc3c(C)cccc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
16667331 | 71804 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 441 | 8 | 1 | 5 | 4.2 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)OC)c3ccccc3)CC2)c(F)c1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823352 | 71804 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 441 | 8 | 1 | 5 | 4.2 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)OC)c3ccccc3)CC2)c(F)c1 | 10.1016/j.bmcl.2011.06.136 | |||
137649292 | 164033 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1726 | 55 | 26 | 20 | -3.1 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4076542 | 164033 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1726 | 55 | 26 | 20 | -3.1 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
67678347 | 111313 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 493 | 9 | 1 | 6 | 5.6 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3nc(C(C)C)no3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104227 | 111313 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 493 | 9 | 1 | 6 | 5.6 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3nc(C(C)C)no3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
44274493 | 106080 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 469 | 6 | 0 | 5 | 3.6 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/C3N=CC=N3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL282057 | 106080 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 469 | 6 | 0 | 5 | 3.6 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/C3N=CC=N3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11397239 | 111306 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 469 | 6 | 1 | 4 | 4.0 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ncc[nH]3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104217 | 111306 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 469 | 6 | 1 | 4 | 4.0 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ncc[nH]3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL386823 | 219174 | 10 | None | - | 3 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC | 10.1021/jm00007a012 | |||||
11294247 | 90232 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 465 | 6 | 0 | 3 | 4.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)C3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21997 | 90232 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 465 | 6 | 0 | 3 | 4.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)C3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL414482 | 219912 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C1CCCCC1 | 10.1016/S0960-894X(00)80696-4 | |||||
58870814 | 111283 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 512 | 11 | 1 | 5 | 4.9 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(OC)cc3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104194 | 111283 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 512 | 11 | 1 | 5 | 4.9 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(OC)cc3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
16131943 | 175693 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 2219 | 73 | 32 | 30 | -8.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1016/S0960-894X(00)80696-4 | |||
44384119 | 175693 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 2219 | 73 | 32 | 30 | -8.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1016/S0960-894X(00)80696-4 | |||
CHEMBL438580 | 175693 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 2219 | 73 | 32 | 30 | -8.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1016/S0960-894X(00)80696-4 | |||
11454489 | 91016 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 481 | 7 | 0 | 3 | 5.2 | CC(=O)N1CCc2ccc(N(C(=O)CCc3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL22105 | 91016 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 481 | 7 | 0 | 3 | 5.2 | CC(=O)N1CCc2ccc(N(C(=O)CCc3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11454489 | 91016 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 481 | 7 | 0 | 3 | 5.2 | CC(=O)N1CCc2ccc(N(C(=O)CCc3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL22105 | 91016 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 481 | 7 | 0 | 3 | 5.2 | CC(=O)N1CCc2ccc(N(C(=O)CCc3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
16147480 | 103383 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1926 | 59 | 27 | 25 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
44342928 | 103383 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1926 | 59 | 27 | 25 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
91931445 | 103383 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1926 | 59 | 27 | 25 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL263350 | 103383 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1926 | 59 | 27 | 25 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
1562 | 7686 | 13 | None | - | 2 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | |||
5312114 | 7686 | 13 | None | - | 2 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | |||
CHEMBL17645 | 7686 | 13 | None | - | 2 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | |||
CHEMBL195380 | 7686 | 13 | None | - | 2 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | |||
11214627 | 82783 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 524 | 7 | 0 | 5 | 5.2 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL20553 | 82783 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 524 | 7 | 0 | 5 | 5.2 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11214627 | 82783 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 524 | 7 | 0 | 5 | 5.2 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL20553 | 82783 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 524 | 7 | 0 | 5 | 5.2 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
58055769 | 111276 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 492 | 8 | 0 | 6 | 4.5 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C(C)C)n(C)n3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104187 | 111276 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 492 | 8 | 0 | 6 | 4.5 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C(C)C)n(C)n3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
91928728 | 217504 | 17 | None | - | 2 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm000052z | |||||
CHEMBL267633 | 217504 | 17 | None | - | 2 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm000052z | |||||
137653207 | 165423 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1837 | 57 | 29 | 23 | -5.7 | CC(=O)N[C@@H](CO)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4092494 | 165423 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1837 | 57 | 29 | 23 | -5.7 | CC(=O)N[C@@H](CO)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL410938 | 219630 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL428320 | 220215 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL438096 | 220528 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL413612 | 219856 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL4214907 | 220056 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)CCC(=O)O)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
137660673 | 165998 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1823 | 55 | 29 | 24 | -7.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4098787 | 165998 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1823 | 55 | 29 | 24 | -7.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4217524 | 220062 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CC[C@@](C)(NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL412378 | 219767 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
137649686 | 163937 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1844 | 56 | 28 | 24 | -6.9 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4075287 | 163937 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1844 | 56 | 28 | 24 | -6.9 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
137636973 | 162996 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1781 | 54 | 28 | 23 | -7.1 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(C)(C)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4064467 | 162996 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1781 | 54 | 28 | 23 | -7.1 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(C)(C)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL430274 | 220395 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccsc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL427594 | 220132 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
137642856 | 165236 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1842 | 59 | 29 | 23 | -5.3 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4090636 | 165236 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1842 | 59 | 29 | 23 | -5.3 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
16146616 | 173499 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | |||
44342628 | 173499 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | |||
91931428 | 173499 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | |||
CHEMBL428292 | 173499 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | |||
137639719 | 163565 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1823 | 57 | 28 | 23 | -6.1 | CC(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4070864 | 163565 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1823 | 57 | 28 | 23 | -6.1 | CC(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
137659071 | 166092 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1837 | 57 | 28 | 23 | -5.7 | CC(=O)N[C@@H](CO)C(=O)N(C)[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4099784 | 166092 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1837 | 57 | 28 | 23 | -5.7 | CC(=O)N[C@@H](CO)C(=O)N(C)[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
137657064 | 166420 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1833 | 56 | 29 | 24 | -7.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4103628 | 166420 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1833 | 56 | 29 | 24 | -7.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
16667181 | 111293 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 521 | 9 | 1 | 6 | 4.3 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)Cc3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104204 | 111293 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 521 | 9 | 1 | 6 | 4.3 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)Cc3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
16665228 | 111296 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 556 | 9 | 1 | 4 | 6.0 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104207 | 111296 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 556 | 9 | 1 | 4 | 6.0 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
58870679 | 111280 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 500 | 10 | 1 | 4 | 5.1 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(F)cc3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104191 | 111280 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 500 | 10 | 1 | 4 | 5.1 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(F)cc3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
2936384 | 53965 | 45 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 446 | 6 | 2 | 3 | 5.4 | CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1543306 | 53965 | 45 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 446 | 6 | 2 | 3 | 5.4 | CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2011.06.136 | |||
56672399 | 71825 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 489 | 10 | 1 | 5 | 4.7 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccccc3)CC2)c(C#N)c1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823575 | 71825 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 489 | 10 | 1 | 5 | 4.7 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccccc3)CC2)c(C#N)c1 | 10.1016/j.bmcl.2011.06.136 | |||
3198 | 212292 | 76 | None | -46 | 34 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
CHEMBL1201049 | 212292 | 76 | None | -46 | 34 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
CHEMBL808 | 212292 | 76 | None | -46 | 34 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
CHEMBL406275 | 219380 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00007a012 | |||||
42647272 | 111274 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 479 | 8 | 0 | 6 | 4.7 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nnc(C(C)C)o3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104185 | 111274 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 479 | 8 | 0 | 6 | 4.7 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nnc(C(C)C)o3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
20773956 | 71801 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 506 | 7 | 1 | 6 | 5.0 | COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823349 | 71801 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 506 | 7 | 1 | 6 | 5.0 | COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
44329428 | 215050 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 394 | 9 | 0 | 3 | 5.8 | CCCCc1ccccc1N(CCCN(C)C)C(=O)c1cc2ccccc2s1 | 10.1016/s0960-894x(03)00554-7 | |||
CHEMBL98875 | 215050 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 394 | 9 | 0 | 3 | 5.8 | CCCCc1ccccc1N(CCCN(C)C)C(=O)c1cc2ccccc2s1 | 10.1016/s0960-894x(03)00554-7 | |||
11375033 | 105827 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 479 | 6 | 0 | 3 | 5.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C\c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL280372 | 105827 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 479 | 6 | 0 | 3 | 5.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C\c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11453411 | 106168 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 437 | 6 | 1 | 3 | 5.4 | O=C(/C=C/c1ccccc1)N(c1ccc2c(c1)NCC2)C1CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL282667 | 106168 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 437 | 6 | 1 | 3 | 5.4 | O=C(/C=C/c1ccccc1)N(c1ccc2c(c1)NCC2)C1CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.057 | |||
11453411 | 106168 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 437 | 6 | 1 | 3 | 5.4 | O=C(/C=C/c1ccccc1)N(c1ccc2c(c1)NCC2)C1CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL282667 | 106168 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 437 | 6 | 1 | 3 | 5.4 | O=C(/C=C/c1ccccc1)N(c1ccc2c(c1)NCC2)C1CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
76324741 | 111311 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 465 | 7 | 0 | 3 | 5.8 | CC(=O)N1CCc2ccc(N(C/C=C\c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104222 | 111311 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 465 | 7 | 0 | 3 | 5.8 | CC(=O)N1CCc2ccc(N(C/C=C\c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
137634335 | 163163 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1813 | 58 | 28 | 22 | -4.6 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CO)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4066409 | 163163 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1813 | 58 | 28 | 22 | -4.6 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CO)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
11477689 | 169502 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 507 | 8 | 0 | 3 | 5.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCCc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL417100 | 169502 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 507 | 8 | 0 | 3 | 5.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCCc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11477689 | 169502 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 507 | 8 | 0 | 3 | 5.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCCc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL417100 | 169502 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 507 | 8 | 0 | 3 | 5.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCCc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL4224694 | 220067 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)c1c[nH]cn1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCNC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)CC1)C(=O)O)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.12.014 | |||||
71713781 | 98170 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 536 | 8 | 2 | 4 | 6.3 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
CHEMBL2402906 | 98170 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 536 | 8 | 2 | 4 | 6.3 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
42647046 | 111251 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 465 | 8 | 0 | 6 | 4.2 | CCc1nc(-c2ccc(N3CCN(C(C(=O)N(CC)CC)c4ccccc4)CC3)c(F)c2)no1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104114 | 111251 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 465 | 8 | 0 | 6 | 4.2 | CCc1nc(-c2ccc(N3CCN(C(C(=O)N(CC)CC)c4ccccc4)CC3)c(F)c2)no1 | 10.1016/j.bmcl.2013.11.061 | |||
69670041 | 111260 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 451 | 8 | 1 | 6 | 4.5 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3ncno3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104123 | 111260 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 451 | 8 | 1 | 6 | 4.5 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3ncno3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
20773958 | 71795 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 506 | 7 | 1 | 6 | 5.0 | COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccncc3)cc2)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823343 | 71795 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 506 | 7 | 1 | 6 | 5.0 | COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccncc3)cc2)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
58870638 | 111290 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 481 | 8 | 1 | 4 | 4.7 | CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)C3CCOC3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104201 | 111290 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 481 | 8 | 1 | 4 | 4.7 | CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)C3CCOC3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
56659929 | 71793 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 464 | 6 | 1 | 5 | 5.1 | COc1cccnc1C(=O)N1CCN(c2ccc(NC(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823341 | 71793 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 464 | 6 | 1 | 5 | 5.1 | COc1cccnc1C(=O)N1CCN(c2ccc(NC(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
56673775 | 71799 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 530 | 7 | 1 | 6 | 5.5 | COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2C#N)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823347 | 71799 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 530 | 7 | 1 | 6 | 5.5 | COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2C#N)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
11203099 | 88311 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 515 | 6 | 0 | 3 | 5.6 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc(F)cc(F)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21605 | 88311 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 515 | 6 | 0 | 3 | 5.6 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc(F)cc(F)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11203099 | 88311 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 515 | 6 | 0 | 3 | 5.6 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc(F)cc(F)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL21605 | 88311 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 515 | 6 | 0 | 3 | 5.6 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc(F)cc(F)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
58870642 | 111285 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 566 | 11 | 1 | 5 | 5.8 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(OC(F)(F)F)cc3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104196 | 111285 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 566 | 11 | 1 | 5 | 5.8 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(OC(F)(F)F)cc3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
58870729 | 111307 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 507 | 8 | 1 | 6 | 4.4 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104218 | 111307 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 507 | 8 | 1 | 6 | 4.4 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
11271868 | 105681 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 493 | 7 | 0 | 3 | 5.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL279289 | 105681 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 493 | 7 | 0 | 3 | 5.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11271868 | 105681 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 493 | 7 | 0 | 3 | 5.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL279289 | 105681 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 493 | 7 | 0 | 3 | 5.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
1526 | 9085 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000052z | |||||
CHEMBL438411 | 9085 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000052z | |||||
10429613 | 170118 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
CHEMBL419086 | 170118 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
69670197 | 111261 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 465 | 8 | 1 | 6 | 4.8 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3nc(C)no3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104124 | 111261 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 465 | 8 | 1 | 6 | 4.8 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3nc(C)no3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
69670211 | 111262 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 479 | 9 | 1 | 6 | 5.1 | CCc1noc(C(c2ccccc2)N2CCN(c3ccc(NC(=O)C(CC)CC)cc3F)CC2)n1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104125 | 111262 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 479 | 9 | 1 | 6 | 5.1 | CCc1noc(C(c2ccccc2)N2CCN(c3ccc(NC(=O)C(CC)CC)cc3F)CC2)n1 | 10.1016/j.bmcl.2013.11.061 | |||
71713935 | 98194 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 550 | 8 | 3 | 3 | 7.3 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Nc3ccccc3-c3ccccc3)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
CHEMBL2403025 | 98194 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 550 | 8 | 3 | 3 | 7.3 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Nc3ccccc3-c3ccccc3)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
58055759 | 111252 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 477 | 8 | 0 | 6 | 4.5 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104115 | 111252 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 477 | 8 | 0 | 6 | 4.5 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL269544 | 217575 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00007a012 | |||||
11318800 | 83910 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 547 | 6 | 0 | 3 | 6.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(C(F)(F)F)cc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL20773 | 83910 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 547 | 6 | 0 | 3 | 6.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(C(F)(F)F)cc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11318105 | 90405 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 505 | 7 | 0 | 3 | 5.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL22046 | 90405 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 505 | 7 | 0 | 3 | 5.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11318800 | 83910 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 547 | 6 | 0 | 3 | 6.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(C(F)(F)F)cc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL20773 | 83910 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 547 | 6 | 0 | 3 | 6.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(C(F)(F)F)cc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
11318105 | 90405 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 505 | 7 | 0 | 3 | 5.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL22046 | 90405 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 505 | 7 | 0 | 3 | 5.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
68872605 | 111264 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 493 | 9 | 1 | 6 | 5.6 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3nnc(C(C)C)o3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104175 | 111264 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 493 | 9 | 1 | 6 | 5.6 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3nnc(C(C)C)o3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
11306461 | 90227 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 493 | 5 | 0 | 3 | 4.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(C(=O)c4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21992 | 90227 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 493 | 5 | 0 | 3 | 4.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(C(=O)c4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11306461 | 90227 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 493 | 5 | 0 | 3 | 4.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(C(=O)c4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL21992 | 90227 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 493 | 5 | 0 | 3 | 4.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(C(=O)c4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL275220 | 217599 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00007a012 | |||||
CHEMBL268351 | 217528 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C1CCCCC1)C1CCCCC1 | 10.1016/S0960-894X(00)80696-4 | |||||
137641937 | 165182 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1884 | 56 | 28 | 24 | -6.0 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccncc1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4090126 | 165182 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1884 | 56 | 28 | 24 | -6.0 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccncc1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL411637 | 219732 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL428320 | 220215 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
71719108 | 92826 | 1 | None | 125 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 895 | 16 | 6 | 11 | 3.5 | N=C(N)NCCC[C@@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL2307889 | 92826 | 1 | None | 125 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 895 | 16 | 6 | 11 | 3.5 | N=C(N)NCCC[C@@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL4209661 | 220040 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CC[C@@](C)(NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
16147480 | 103383 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1926 | 59 | 27 | 25 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
44342928 | 103383 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1926 | 59 | 27 | 25 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
91931445 | 103383 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1926 | 59 | 27 | 25 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL263350 | 103383 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1926 | 59 | 27 | 25 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL427594 | 220132 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL4226958 | 220085 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)[C@H](CCCCNC(=O)[C@@H](N)CCCCNC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)CC1)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)c1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1016/j.bmc.2017.12.014 | |||||
CHEMBL410792 | 219620 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL4213780 | 220054 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL411200 | 219650 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm000052z | |||||
CHEMBL4216997 | 220060 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CC[C@@](C)(NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL425095 | 220109 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL428017 | 220181 | 17 | None | 41 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | |||||
56659932 | 71808 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 544 | 8 | 2 | 6 | 4.9 | CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2C#N)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823356 | 71808 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 544 | 8 | 2 | 6 | 4.9 | CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2C#N)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
76328289 | 111292 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 548 | 8 | 1 | 6 | 5.1 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3c(C)cnn3C(C)(C)C)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104203 | 111292 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 548 | 8 | 1 | 6 | 5.1 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3c(C)cnn3C(C)(C)C)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
58870727 | 111301 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 466 | 9 | 1 | 4 | 4.3 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)CC3CC3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104212 | 111301 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 466 | 9 | 1 | 4 | 4.3 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)CC3CC3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
11466430 | 90515 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 513 | 6 | 0 | 3 | 6.0 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(Cl)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL22056 | 90515 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 513 | 6 | 0 | 3 | 6.0 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(Cl)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11466430 | 90515 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 513 | 6 | 0 | 3 | 6.0 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(Cl)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL22056 | 90515 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 513 | 6 | 0 | 3 | 6.0 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(Cl)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
58870648 | 111300 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 494 | 9 | 1 | 4 | 5.1 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)CC3CCCC3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104211 | 111300 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 494 | 9 | 1 | 4 | 5.1 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)CC3CCCC3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL385245 | 219123 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00007a012 | |||||
11398198 | 84731 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 515 | 7 | 0 | 4 | 5.1 | CC(=O)N1CCc2ccc(N(C3CCN(Cc4ccccc4)CC3)S(=O)(=O)/C=C/c3ccccc3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL20965 | 84731 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 515 | 7 | 0 | 4 | 5.1 | CC(=O)N1CCc2ccc(N(C3CCN(Cc4ccccc4)CC3)S(=O)(=O)/C=C/c3ccccc3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11443018 | 87369 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 480 | 6 | 0 | 4 | 4.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccn3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21502 | 87369 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 480 | 6 | 0 | 4 | 4.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccn3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11353113 | 87590 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 533 | 6 | 0 | 3 | 5.8 | O=C(/C=C/c1ccccc1)N(c1ccc2c(c1)N(C(=O)C(F)(F)F)CC2)C1CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21523 | 87590 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 533 | 6 | 0 | 3 | 5.8 | O=C(/C=C/c1ccccc1)N(c1ccc2c(c1)N(C(=O)C(F)(F)F)CC2)C1CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.057 | |||
11364830 | 87843 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 547 | 6 | 0 | 3 | 6.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3C(F)(F)F)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21545 | 87843 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 547 | 6 | 0 | 3 | 6.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3C(F)(F)F)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11225709 | 88334 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 496 | 6 | 0 | 4 | 3.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc[n+]([O-])cc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21616 | 88334 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 496 | 6 | 0 | 4 | 3.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc[n+]([O-])cc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11408945 | 89191 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 477 | 6 | 0 | 4 | 6.0 | CC(=O)n1ccc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21737 | 89191 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 477 | 6 | 0 | 4 | 6.0 | CC(=O)n1ccc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11165586 | 91128 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 403 | 5 | 0 | 3 | 3.8 | C=CC(=O)N(c1ccc2c(c1)N(C(C)=O)CC2)C1CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL22174 | 91128 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 403 | 5 | 0 | 3 | 3.8 | C=CC(=O)N(c1ccc2c(c1)N(C(C)=O)CC2)C1CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.057 | |||
11465776 | 105613 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 480 | 6 | 0 | 4 | 4.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccnc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL278795 | 105613 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 480 | 6 | 0 | 4 | 4.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccnc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11340260 | 105650 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 465 | 7 | 0 | 3 | 5.8 | CC(=O)N1CCc2ccc(N(C/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL279044 | 105650 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 465 | 7 | 0 | 3 | 5.8 | CC(=O)N1CCc2ccc(N(C/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11453755 | 105710 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 451 | 6 | 1 | 3 | 4.9 | O=C1Cc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc2N1 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL279493 | 105710 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 451 | 6 | 1 | 3 | 4.9 | O=C1Cc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc2N1 | 10.1016/j.bmcl.2003.12.057 | |||
11261330 | 176077 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 547 | 6 | 0 | 3 | 6.6 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc(Cl)cc(Cl)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL441516 | 176077 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 547 | 6 | 0 | 3 | 6.6 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc(Cl)cc(Cl)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11398198 | 84731 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 515 | 7 | 0 | 4 | 5.1 | CC(=O)N1CCc2ccc(N(C3CCN(Cc4ccccc4)CC3)S(=O)(=O)/C=C/c3ccccc3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL20965 | 84731 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 515 | 7 | 0 | 4 | 5.1 | CC(=O)N1CCc2ccc(N(C3CCN(Cc4ccccc4)CC3)S(=O)(=O)/C=C/c3ccccc3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
11353113 | 87590 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 533 | 6 | 0 | 3 | 5.8 | O=C(/C=C/c1ccccc1)N(c1ccc2c(c1)N(C(=O)C(F)(F)F)CC2)C1CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL21523 | 87590 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 533 | 6 | 0 | 3 | 5.8 | O=C(/C=C/c1ccccc1)N(c1ccc2c(c1)N(C(=O)C(F)(F)F)CC2)C1CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
11408945 | 89191 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 477 | 6 | 0 | 4 | 6.0 | CC(=O)n1ccc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL21737 | 89191 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 477 | 6 | 0 | 4 | 6.0 | CC(=O)n1ccc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
11465776 | 105613 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 480 | 6 | 0 | 4 | 4.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccnc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL278795 | 105613 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 480 | 6 | 0 | 4 | 4.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccnc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
11340260 | 105650 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 465 | 7 | 0 | 3 | 5.8 | CC(=O)N1CCc2ccc(N(C/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL279044 | 105650 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 465 | 7 | 0 | 3 | 5.8 | CC(=O)N1CCc2ccc(N(C/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
11453755 | 105710 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 451 | 6 | 1 | 3 | 4.9 | O=C1Cc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc2N1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL279493 | 105710 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 451 | 6 | 1 | 3 | 4.9 | O=C1Cc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc2N1 | 10.1016/j.bmcl.2013.11.061 | |||
76335552 | 111309 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 417 | 5 | 0 | 3 | 4.2 | C/C=C/C(=O)N(c1ccc2c(c1)N(C(C)=O)CC2)C1CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104220 | 111309 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 417 | 5 | 0 | 3 | 4.2 | C/C=C/C(=O)N(c1ccc2c(c1)N(C(C)=O)CC2)C1CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
11261330 | 176077 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 547 | 6 | 0 | 3 | 6.6 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc(Cl)cc(Cl)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL441516 | 176077 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 547 | 6 | 0 | 3 | 6.6 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc(Cl)cc(Cl)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL428097 | 220191 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00007a012 | |||||
11294696 | 88919 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 485 | 6 | 0 | 4 | 5.4 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccsc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21679 | 88919 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 485 | 6 | 0 | 4 | 5.4 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccsc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11294696 | 88919 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 485 | 6 | 0 | 4 | 5.4 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccsc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL21679 | 88919 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 485 | 6 | 0 | 4 | 5.4 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccsc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
69669928 | 111268 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 461 | 8 | 1 | 5 | 4.9 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3ncccn3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104179 | 111268 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 461 | 8 | 1 | 5 | 4.9 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3ncccn3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
16667279 | 111303 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 500 | 10 | 1 | 4 | 5.1 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3cccc(F)c3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104214 | 111303 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 500 | 10 | 1 | 4 | 5.1 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3cccc(F)c3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
58870763 | 111287 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 518 | 10 | 1 | 4 | 5.2 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(F)c(F)c3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104198 | 111287 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 518 | 10 | 1 | 4 | 5.2 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(F)c(F)c3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
11330404 | 106241 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 557 | 6 | 0 | 3 | 6.1 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(Br)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL283106 | 106241 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 557 | 6 | 0 | 3 | 6.1 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(Br)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11330404 | 106241 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 557 | 6 | 0 | 3 | 6.1 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(Br)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL283106 | 106241 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 557 | 6 | 0 | 3 | 6.1 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(Br)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
44128297 | 111267 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 453 | 8 | 1 | 4 | 5.1 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)C3CCOC3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104178 | 111267 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 453 | 8 | 1 | 4 | 5.1 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)C3CCOC3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
76321090 | 111277 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 493 | 8 | 1 | 5 | 4.3 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3cc(=O)n(C(C)C)[nH]3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104188 | 111277 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 493 | 8 | 1 | 5 | 4.3 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3cc(=O)n(C(C)C)[nH]3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
76321091 | 111308 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 520 | 9 | 1 | 6 | 4.3 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3c(C)cnn3CC)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104219 | 111308 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 520 | 9 | 1 | 6 | 4.3 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3c(C)cnn3CC)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
56659930 | 71805 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 536 | 8 | 2 | 4 | 5.7 | CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823353 | 71805 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 536 | 8 | 2 | 4 | 5.7 | CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
10369730 | 90156 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 530 | 8 | 0 | 5 | 5.6 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C3CCN(CCC4CCCC4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21941 | 90156 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 530 | 8 | 0 | 5 | 5.6 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C3CCN(CCC4CCCC4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11236647 | 105674 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 465 | 7 | 0 | 3 | 4.9 | O=CN1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL279236 | 105674 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 465 | 7 | 0 | 3 | 4.9 | O=CN1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11236647 | 105674 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 465 | 7 | 0 | 3 | 4.9 | O=CN1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL279236 | 105674 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 465 | 7 | 0 | 3 | 4.9 | O=CN1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
11489162 | 89220 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 513 | 6 | 0 | 3 | 6.0 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(Cl)cc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21753 | 89220 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 513 | 6 | 0 | 3 | 6.0 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(Cl)cc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11375413 | 90086 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 497 | 6 | 0 | 3 | 5.4 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(F)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21907 | 90086 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 497 | 6 | 0 | 3 | 5.4 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(F)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11489162 | 89220 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 513 | 6 | 0 | 3 | 6.0 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(Cl)cc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL21753 | 89220 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 513 | 6 | 0 | 3 | 6.0 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(Cl)cc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
11375413 | 90086 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 497 | 6 | 0 | 3 | 5.4 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(F)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL21907 | 90086 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 497 | 6 | 0 | 3 | 5.4 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(F)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL409457 | 219544 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC | 10.1021/jm00007a012 | |||||
16667135 | 98193 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 506 | 8 | 1 | 5 | 5.6 | CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
CHEMBL2403024 | 98193 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 506 | 8 | 1 | 5 | 5.6 | CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
56670258 | 71796 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 524 | 7 | 1 | 6 | 5.2 | COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccncc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823344 | 71796 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 524 | 7 | 1 | 6 | 5.2 | COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccncc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
56680425 | 71811 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 571 | 9 | 1 | 5 | 6.2 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2C#N)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823359 | 71811 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 571 | 9 | 1 | 5 | 6.2 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2C#N)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL439356 | 220617 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00007a012 | |||||
16667089 | 71809 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 454 | 9 | 2 | 4 | 4.2 | CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)C(CC)CC)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823357 | 71809 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 454 | 9 | 2 | 4 | 4.2 | CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)C(CC)CC)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
44329396 | 214502 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 444 | 10 | 0 | 3 | 6.1 | CN(C)CCCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1SCc1ccccc1 | 10.1016/s0960-894x(03)00554-7 | |||
CHEMBL95660 | 214502 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 444 | 10 | 0 | 3 | 6.1 | CN(C)CCCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1SCc1ccccc1 | 10.1016/s0960-894x(03)00554-7 | |||
76324740 | 111163 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 444 | 10 | 0 | 3 | 6.1 | CN(C)CCCN(C(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1SCc1ccccc1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3102872 | 111163 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 444 | 10 | 0 | 3 | 6.1 | CN(C)CCCN(C(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1SCc1ccccc1 | 10.1016/j.bmcl.2013.11.061 | |||
69089436 | 111266 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 464 | 8 | 1 | 5 | 5.4 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3cc(C)no3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104177 | 111266 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 464 | 8 | 1 | 5 | 5.4 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3cc(C)no3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
11249185 | 88769 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 507 | 6 | 0 | 3 | 5.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc(C)cc(C)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21652 | 88769 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 507 | 6 | 0 | 3 | 5.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc(C)cc(C)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11249185 | 88769 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 507 | 6 | 0 | 3 | 5.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc(C)cc(C)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL21652 | 88769 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 507 | 6 | 0 | 3 | 5.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc(C)cc(C)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
16146920 | 162735 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
44342653 | 162735 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
91931439 | 162735 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL406128 | 162735 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL413233 | 219837 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccsc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL4205712 | 220029 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL4225031 | 220073 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)[C@H](CCCCNC(=O)C1CCNCC1)NC(=O)[C@H](CC(N)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)CC1)C(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1016/j.bmc.2017.12.014 | |||||
137640909 | 163812 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1809 | 57 | 29 | 23 | -6.5 | CC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4073606 | 163812 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1809 | 57 | 29 | 23 | -6.5 | CC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
58870651 | 111305 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 512 | 11 | 1 | 5 | 4.9 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3cccc(OC)c3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104216 | 111305 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 512 | 11 | 1 | 5 | 4.9 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3cccc(OC)c3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
56670259 | 71802 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 524 | 7 | 1 | 6 | 5.2 | COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823350 | 71802 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 524 | 7 | 1 | 6 | 5.2 | COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL406383 | 219386 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00007a012 | |||||
6011884 | 168814 | 2 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 479 | 6 | 0 | 3 | 5.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL416005 | 168814 | 2 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 479 | 6 | 0 | 3 | 5.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
6011884 | 168814 | 2 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 479 | 6 | 0 | 3 | 5.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL416005 | 168814 | 2 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 479 | 6 | 0 | 3 | 5.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL262202 | 217311 | 26 | None | - | 1 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00007a012 | |||||
16146920 | 162735 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
44342653 | 162735 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
91931439 | 162735 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL406128 | 162735 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
58055758 | 111272 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 479 | 8 | 0 | 6 | 4.7 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C(C)C)no3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104183 | 111272 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 479 | 8 | 0 | 6 | 4.7 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C(C)C)no3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
25151877 | 71807 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 537 | 8 | 2 | 5 | 5.1 | CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823355 | 71807 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 537 | 8 | 2 | 5 | 5.1 | CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
42644181 | 111162 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 445 | 7 | 0 | 3 | 5.2 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3ccccc3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3102871 | 111162 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 445 | 7 | 0 | 3 | 5.2 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3ccccc3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL385246 | 219124 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC | 10.1021/jm00007a012 | |||||
69305104 | 111282 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 507 | 10 | 1 | 5 | 4.8 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(C#N)cc3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104193 | 111282 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 507 | 10 | 1 | 5 | 4.8 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(C#N)cc3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
58870731 | 111284 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 526 | 12 | 1 | 5 | 5.3 | CCOc1ccc(C(C(=O)N(CC)CC)N2CCN(c3ccc(NC(=O)C(CC)CC)cc3F)CC2)cc1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104195 | 111284 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 526 | 12 | 1 | 5 | 5.3 | CCOc1ccc(C(C(=O)N(CC)CC)N2CCN(c3ccc(NC(=O)C(CC)CC)cc3F)CC2)cc1 | 10.1016/j.bmcl.2013.11.061 | |||
71713624 | 98198 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 535 | 8 | 2 | 3 | 6.9 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(C(=O)Nc3ccccc3-c3ccccc3)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
CHEMBL2403029 | 98198 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 535 | 8 | 2 | 3 | 6.9 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(C(=O)Nc3ccccc3-c3ccccc3)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
10456979 | 214470 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 460 | 9 | 0 | 4 | 6.8 | CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1 | 10.1016/s0960-894x(03)00554-7 | |||
CHEMBL95501 | 214470 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 460 | 9 | 0 | 4 | 6.8 | CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1 | 10.1016/s0960-894x(03)00554-7 | |||
10456979 | 214470 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 460 | 9 | 0 | 4 | 6.8 | CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1 | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL95501 | 214470 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 460 | 9 | 0 | 4 | 6.8 | CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1 | 10.1016/j.bmcl.2009.06.035 | |||
44329450 | 214547 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 428 | 8 | 0 | 3 | 6.1 | CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1Cc1ccccc1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL95963 | 214547 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 428 | 8 | 0 | 3 | 6.1 | CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1Cc1ccccc1 | 10.1016/j.bmcl.2013.11.061 | |||
10456979 | 214470 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 460 | 9 | 0 | 4 | 6.8 | CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL95501 | 214470 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 460 | 9 | 0 | 4 | 6.8 | CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1 | 10.1016/j.bmcl.2011.06.136 | |||
58055783 | 111278 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 464 | 8 | 0 | 5 | 4.8 | CCc1cnc(-c2ccc(N3CCN(C(C(=O)N(CC)CC)c4ccccc4)CC3)c(F)c2)o1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104189 | 111278 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 464 | 8 | 0 | 5 | 4.8 | CCc1cnc(-c2ccc(N3CCN(C(C(=O)N(CC)CC)c4ccccc4)CC3)c(F)c2)o1 | 10.1016/j.bmcl.2013.11.061 | |||
71713784 | 98173 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 478 | 7 | 2 | 5 | 4.8 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
CHEMBL2402909 | 98173 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 478 | 7 | 2 | 5 | 4.8 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
58055738 | 111254 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 507 | 10 | 0 | 6 | 5.5 | CCC(CC)c1nc(-c2ccc(N3CCN(C(C(=O)N(CC)CC)c4ccccc4)CC3)c(F)c2)no1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104117 | 111254 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 507 | 10 | 0 | 6 | 5.5 | CCC(CC)c1nc(-c2ccc(N3CCN(C(C(=O)N(CC)CC)c4ccccc4)CC3)c(F)c2)no1 | 10.1016/j.bmcl.2013.11.061 | |||
11295383 | 168635 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 521 | 8 | 0 | 4 | 5.3 | CC(=O)CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL414827 | 168635 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 521 | 8 | 0 | 4 | 5.3 | CC(=O)CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11387103 | 174086 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 537 | 7 | 0 | 5 | 4.9 | CCOC(=O)C(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL429389 | 174086 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 537 | 7 | 0 | 5 | 4.9 | CCOC(=O)C(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11387103 | 174086 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 537 | 7 | 0 | 5 | 4.9 | CCOC(=O)C(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL429389 | 174086 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 537 | 7 | 0 | 5 | 4.9 | CCOC(=O)C(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL414482 | 219912 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C1CCCCC1 | 10.1016/S0960-894X(00)80696-4 | |||||
16146918 | 168007 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
44342536 | 168007 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
91931438 | 168007 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL411800 | 168007 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL425095 | 220109 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
137637445 | 162583 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1859 | 56 | 29 | 24 | -6.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4059729 | 162583 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1859 | 56 | 29 | 24 | -6.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
137646917 | 164467 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1837 | 57 | 28 | 23 | -5.7 | CC(=O)N[C@@H](CO)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4081767 | 164467 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1837 | 57 | 28 | 23 | -5.7 | CC(=O)N[C@@H](CO)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL405527 | 219343 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
137635909 | 162733 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1675 | 52 | 25 | 19 | -2.3 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4061266 | 162733 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1675 | 52 | 25 | 19 | -2.3 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
58870834 | 111304 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 516 | 10 | 1 | 4 | 5.6 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3cccc(Cl)c3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104215 | 111304 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 516 | 10 | 1 | 4 | 5.6 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3cccc(Cl)c3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
16666511 | 71826 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 482 | 10 | 1 | 4 | 4.9 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccccc3)CC2)c(F)c1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823576 | 71826 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 482 | 10 | 1 | 4 | 4.9 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccccc3)CC2)c(F)c1 | 10.1016/j.bmcl.2011.06.136 | |||
11478324 | 92416 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 544 | 8 | 0 | 5 | 6.0 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C3CCN(CCC4CCCCC4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL22840 | 92416 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 544 | 8 | 0 | 5 | 6.0 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C3CCN(CCC4CCCCC4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
16146918 | 168007 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
44342536 | 168007 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
91931438 | 168007 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL411800 | 168007 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
56673774 | 71798 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 523 | 7 | 1 | 5 | 5.8 | COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823346 | 71798 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 523 | 7 | 1 | 5 | 5.8 | COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
22499399 | 71797 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 505 | 7 | 1 | 5 | 5.6 | COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823345 | 71797 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 505 | 7 | 1 | 5 | 5.6 | COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
16666777 | 71803 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 423 | 8 | 1 | 5 | 4.1 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)OC)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823351 | 71803 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 423 | 8 | 1 | 5 | 4.1 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)OC)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2011.06.136 | |||
11316909 | 82774 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 451 | 6 | 0 | 3 | 5.4 | CN1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL20549 | 82774 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 451 | 6 | 0 | 3 | 5.4 | CN1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11316909 | 82774 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 451 | 6 | 0 | 3 | 5.4 | CN1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL20549 | 82774 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 451 | 6 | 0 | 3 | 5.4 | CN1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
1526 | 9085 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000052z | |||||
CHEMBL438411 | 9085 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000052z | |||||
16146061 | 175736 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CN[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | |||
44342840 | 175736 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CN[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | |||
91931430 | 175736 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CN[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | |||
CHEMBL438923 | 175736 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CN[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | |||
CHEMBL2111764 | 215997 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL266021 | 217452 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm000052z | |||||
11307880 | 103998 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 595 | 7 | 0 | 4 | 5.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc([S+]([O-])C(F)(F)F)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL268554 | 103998 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 595 | 7 | 0 | 4 | 5.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc([S+]([O-])C(F)(F)F)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
16146616 | 173499 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | |||
44342628 | 173499 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | |||
91931428 | 173499 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | |||
CHEMBL428292 | 173499 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | |||
44288395 | 169351 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 517 | 10 | 5 | 3 | 4.0 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc21 | 10.1016/s0960-894x(00)00292-4 | |||
CHEMBL41686 | 169351 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 517 | 10 | 5 | 3 | 4.0 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc21 | 10.1016/s0960-894x(00)00292-4 | |||
25134625 | 71794 | 53 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 565 | 9 | 1 | 5 | 5.9 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL1823342 | 71794 | 53 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 565 | 9 | 1 | 5 | 5.9 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
25134625 | 71794 | 53 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 565 | 9 | 1 | 5 | 5.9 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823342 | 71794 | 53 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 565 | 9 | 1 | 5 | 5.9 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
137634108 | 163110 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1844 | 56 | 28 | 24 | -6.9 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4065752 | 163110 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1844 | 56 | 28 | 24 | -6.9 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL429698 | 220321 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
137635521 | 162915 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1884 | 60 | 29 | 23 | -5.1 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4063520 | 162915 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1884 | 60 | 29 | 23 | -5.1 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
10323693 | 87378 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 499 | 7 | 0 | 3 | 6.1 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCC4CCCCC4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21507 | 87378 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 499 | 7 | 0 | 3 | 6.1 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCC4CCCCC4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
10323693 | 87378 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 499 | 7 | 0 | 3 | 6.1 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCC4CCCCC4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL21507 | 87378 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 499 | 7 | 0 | 3 | 6.1 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCC4CCCCC4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
58055717 | 111253 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 493 | 7 | 0 | 6 | 4.9 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3noc(C(C)(C)C)n3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104116 | 111253 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 493 | 7 | 0 | 6 | 4.9 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3noc(C(C)(C)C)n3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3578017 | 218547 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CC(=O)NC(CNC(=O)CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | |||||
CHEMBL3578017 | 218547 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CC(=O)NC(CNC(=O)CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | |||||
58870766 | 111299 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 482 | 8 | 1 | 5 | 3.5 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)[C@H]3CCOC3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104210 | 111299 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 482 | 8 | 1 | 5 | 3.5 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)[C@H]3CCOC3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
71713783 | 98172 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 537 | 7 | 2 | 3 | 6.0 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
CHEMBL2402908 | 98172 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 537 | 7 | 2 | 3 | 6.0 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
42628851 | 111270 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 475 | 8 | 1 | 6 | 5.0 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3cccc(F)c3)c3ncco3)CC2)c(C#N)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104181 | 111270 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 475 | 8 | 1 | 6 | 5.0 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3cccc(F)c3)c3ncco3)CC2)c(C#N)c1 | 10.1016/j.bmcl.2013.11.061 | |||
71713934 | 98192 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 564 | 9 | 1 | 4 | 7.0 | CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
CHEMBL2403023 | 98192 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 564 | 9 | 1 | 4 | 7.0 | CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
CHEMBL429698 | 220321 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
137641883 | 165118 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1641 | 52 | 25 | 19 | -3.0 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)C)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4089420 | 165118 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1641 | 52 | 25 | 19 | -3.0 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)C)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
137660151 | 165841 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1727 | 53 | 26 | 20 | -2.8 | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)C(CC1CCCCC1)NC(=O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4097131 | 165841 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1727 | 53 | 26 | 20 | -2.8 | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)C(CC1CCCCC1)NC(=O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
137639723 | 163618 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1727 | 53 | 26 | 20 | -2.8 | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4071371 | 163618 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1727 | 53 | 26 | 20 | -2.8 | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4224865 | 220071 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)CC1)C(=O)O)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.12.014 | |||||
CHEMBL4226974 | 220086 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)CC1)C(=O)O)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCNC(=O)C1CCNCC1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.12.014 | |||||
58870759 | 111297 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 468 | 9 | 1 | 4 | 4.5 | CC[C@H](C)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccccc3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104208 | 111297 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 468 | 9 | 1 | 4 | 4.5 | CC[C@H](C)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccccc3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
58870644 | 111302 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 508 | 8 | 1 | 4 | 5.5 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)C3(C)CCCCC3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104213 | 111302 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 508 | 8 | 1 | 4 | 5.5 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)C3(C)CCCCC3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
71713782 | 98171 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 541 | 8 | 2 | 4 | 6.9 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3-c3ccsc3)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
CHEMBL2402907 | 98171 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 541 | 8 | 2 | 4 | 6.9 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3-c3ccsc3)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
58870783 | 111295 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 564 | 9 | 1 | 4 | 6.1 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)C(C)(C)c3ccc(Cl)cc3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104206 | 111295 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 564 | 9 | 1 | 4 | 6.1 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)C(C)(C)c3ccc(Cl)cc3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
69670294 | 111314 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 527 | 9 | 1 | 6 | 6.2 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3nc(-c4ccccc4)no3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104228 | 111314 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 527 | 9 | 1 | 6 | 6.2 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3nc(-c4ccccc4)no3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
42643943 | 111258 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 446 | 7 | 0 | 4 | 4.6 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104121 | 111258 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 446 | 7 | 0 | 4 | 4.6 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
58055745 | 111259 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 475 | 8 | 0 | 4 | 5.2 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3ccccc3OC)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104122 | 111259 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 475 | 8 | 0 | 4 | 5.2 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3ccccc3OC)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
44287938 | 107186 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 631 | 13 | 4 | 4 | 5.4 | N/C(=N/CCCC(NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCCc2cc(O)ccc2C1)NCCCc1ccccc1 | 10.1016/s0960-894x(00)00292-4 | |||
CHEMBL290175 | 107186 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 631 | 13 | 4 | 4 | 5.4 | N/C(=N/CCCC(NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCCc2cc(O)ccc2C1)NCCCc1ccccc1 | 10.1016/s0960-894x(00)00292-4 | |||
CHEMBL269515 | 217572 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC | 10.1021/jm00007a012 | |||||
CHEMBL268351 | 217528 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C1CCCCC1)C1CCCCC1 | 10.1016/S0960-894X(00)80696-4 | |||||
CHEMBL415176 | 219956 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC)C1CCCCC1 | 10.1016/S0960-894X(00)80696-4 | |||||
CHEMBL4227359 | 220089 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)[C@H](CCCCNC(=O)[C@@H](N)CCCCNC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)CC1)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)c1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1016/j.bmc.2017.12.014 | |||||
56680425 | 71811 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 571 | 9 | 1 | 5 | 6.2 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2C#N)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823359 | 71811 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 571 | 9 | 1 | 5 | 6.2 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2C#N)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
137632601 | 163116 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1824 | 57 | 29 | 24 | -8.3 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4065791 | 163116 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1824 | 57 | 29 | 24 | -8.3 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
137650904 | 163995 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1813 | 58 | 28 | 22 | -4.6 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4076091 | 163995 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1813 | 58 | 28 | 22 | -4.6 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL3578016 | 218546 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | |||||
58870701 | 111298 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 480 | 8 | 1 | 4 | 4.7 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)C3CCCC3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104209 | 111298 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 480 | 8 | 1 | 4 | 4.7 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)C3CCCC3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
11179227 | 103589 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 485 | 7 | 0 | 3 | 5.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCC4CCCC4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL265065 | 103589 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 485 | 7 | 0 | 3 | 5.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCC4CCCC4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11179227 | 103589 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 485 | 7 | 0 | 3 | 5.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCC4CCCC4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL265065 | 103589 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 485 | 7 | 0 | 3 | 5.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCC4CCCC4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
58055750 | 111279 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 4.3 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3cc(C)n[nH]3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104190 | 111279 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 449 | 7 | 1 | 4 | 4.3 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3cc(C)n[nH]3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL439534 | 220624 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC | 10.1021/jm00007a012 | |||||
58055719 | 111275 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 478 | 8 | 1 | 5 | 4.5 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nnc(C(C)C)[nH]3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104186 | 111275 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 478 | 8 | 1 | 5 | 4.5 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nnc(C(C)C)[nH]3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
58055741 | 111271 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 3.9 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C)no3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104182 | 111271 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 3.9 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C)no3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
16146919 | 168459 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CN[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)Cc1ccc(O)cc1 | 10.1021/jm000052z | |||
44342654 | 168459 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CN[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)Cc1ccc(O)cc1 | 10.1021/jm000052z | |||
91931418 | 168459 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CN[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)Cc1ccc(O)cc1 | 10.1021/jm000052z | |||
CHEMBL413232 | 168459 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CN[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)Cc1ccc(O)cc1 | 10.1021/jm000052z | |||
11192050 | 84867 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 547 | 6 | 0 | 3 | 6.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C(F)(F)F)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21019 | 84867 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 547 | 6 | 0 | 3 | 6.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C(F)(F)F)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11192050 | 84867 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 547 | 6 | 0 | 3 | 6.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C(F)(F)F)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL21019 | 84867 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 547 | 6 | 0 | 3 | 6.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C(F)(F)F)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
25151876 | 71827 | 23 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 565 | 9 | 1 | 5 | 5.9 | CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823577 | 71827 | 23 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 565 | 9 | 1 | 5 | 5.9 | CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL3578016 | 218546 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | |||||
CHEMBL3578018 | 218548 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | None | None | None | CC(=O)NC(CNC(=O)CCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | |||||
CHEMBL3578018 | 218548 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | None | None | None | CC(=O)NC(CNC(=O)CCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | |||||
58055778 | 111257 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 449 | 7 | 0 | 5 | 4.0 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3cnn(C)c3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104120 | 111257 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 449 | 7 | 0 | 5 | 4.0 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3cnn(C)c3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
11751925 | 169844 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 477 | 4 | 0 | 3 | 4.6 | CC(=O)N1CCc2ccc(N(C(=O)C#Cc3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL417641 | 169844 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 477 | 4 | 0 | 3 | 4.6 | CC(=O)N1CCc2ccc(N(C(=O)C#Cc3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
76313843 | 111312 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 463 | 5 | 0 | 3 | 5.1 | CC(=O)N1CCc2ccc(N(CC#Cc3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104223 | 111312 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 463 | 5 | 0 | 3 | 5.1 | CC(=O)N1CCc2ccc(N(CC#Cc3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
44288390 | 168613 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4.0 | Binding | ChEMBL | 491 | 11 | 5 | 3 | 3.5 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 | 10.1016/s0960-894x(00)00292-4 | |||
CHEMBL41457 | 168613 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4.0 | Binding | ChEMBL | 491 | 11 | 5 | 3 | 3.5 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 | 10.1016/s0960-894x(00)00292-4 | |||
CHEMBL3559527 | 218520 | 0 | None | 112 | 2 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00098a009 | |||||
CHEMBL414947 | 219943 | 0 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N(C)[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC | 10.1021/jm00098a009 | |||||
CHEMBL409167 | 219527 | 2 | None | 426 | 2 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00098a009 | |||||
CHEMBL386202 | 219158 | 0 | None | - | 1 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00098a009 | |||||
44346979 | 103577 | 0 | None | - | 1 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 3556 | 112 | 49 | 49 | -11.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C(C)=O)[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00098a009 | |||
91928647 | 103577 | 0 | None | - | 1 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 3556 | 112 | 49 | 49 | -11.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C(C)=O)[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00098a009 | |||
CHEMBL265008 | 103577 | 0 | None | - | 1 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 3556 | 112 | 49 | 49 | -11.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C(C)=O)[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00098a009 | |||
44346875 | 148423 | 0 | None | - | 1 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 2325 | 58 | 34 | 32 | -10.2 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@]1(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N1)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/jm00098a009 | |||
91928649 | 148423 | 0 | None | - | 1 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 2325 | 58 | 34 | 32 | -10.2 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@]1(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N1)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/jm00098a009 | |||
CHEMBL385339 | 148423 | 0 | None | - | 1 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 2325 | 58 | 34 | 32 | -10.2 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@]1(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N1)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/jm00098a009 | |||
CHEMBL406025 | 219372 | 0 | None | - | 1 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1CCCCNC(=O)CC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC1=O | 10.1021/jm00098a009 | |||||
44346978 | 103658 | 0 | None | - | 1 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 4235 | 131 | 57 | 59 | -17.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C(C)=O)[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00098a009 | |||
91928651 | 103658 | 0 | None | - | 1 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 4235 | 131 | 57 | 59 | -17.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C(C)=O)[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00098a009 | |||
CHEMBL265637 | 103658 | 0 | None | - | 1 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 4235 | 131 | 57 | 59 | -17.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C(C)=O)[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00098a009 | |||
44346928 | 175651 | 0 | None | - | 1 | Human | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 2398 | 64 | 37 | 33 | -10.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@]1(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC1=O | 10.1021/jm00098a009 | |||
91928646 | 175651 | 0 | None | - | 1 | Human | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 2398 | 64 | 37 | 33 | -10.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@]1(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC1=O | 10.1021/jm00098a009 | |||
CHEMBL438211 | 175651 | 0 | None | - | 1 | Human | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 2398 | 64 | 37 | 33 | -10.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@]1(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC1=O | 10.1021/jm00098a009 | |||
CHEMBL425080 | 220107 | 0 | None | - | 1 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1CCCNC(=O)CC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC1=O | 10.1021/jm00098a009 | |||||
1504 | 9583 | 8 | None | -2 | 10 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
1518 | 9583 | 8 | None | -2 | 10 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
1521 | 9583 | 8 | None | -2 | 10 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
24868177 | 9583 | 8 | None | -2 | 10 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
44288922 | 9583 | 8 | None | -2 | 10 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
77068007 | 9583 | 8 | None | -2 | 10 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
90479759 | 9583 | 8 | None | -2 | 10 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
CHEMBL438945 | 9583 | 8 | None | -2 | 10 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
91928728 | 217504 | 17 | None | 7 | 2 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm8007618 | |||||
CHEMBL267633 | 217504 | 17 | None | 7 | 2 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm8007618 | |||||
CHEMBL2392022 | 217192 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2013.01.025 | |||||
CHEMBL3349022 | 218183 | 0 | None | 3 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL429531 | 220316 | 15 | None | -2 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm010031k | |||||
CHEMBL4279794 | 220178 | 0 | None | 63 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
56841989 | 220199 | 6 | None | -2 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4281479 | 220199 | 6 | None | -2 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4279794 | 220178 | 0 | None | 63 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
56841989 | 220199 | 6 | None | -2 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4281479 | 220199 | 6 | None | -2 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
91928728 | 217504 | 17 | None | 7 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL267633 | 217504 | 17 | None | 7 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
1505 | 9656 | 0 | None | -4 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00055a010 | |||||
CHEMBL441396 | 9656 | 0 | None | -4 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00055a010 | |||||
CHEMBL2370625 | 216672 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CNC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||||
CHEMBL2370633 | 216679 | 0 | None | 426 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CNC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||||
CHEMBL2370635 | 216681 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]2CNC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CCC(=O)N2)CCCCNC(=O)CC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC1=O | 10.1021/jm00055a010 | |||||
CHEMBL4292105 | 220292 | 0 | None | 7 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4292105 | 220292 | 0 | None | 7 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL439904 | 220633 | 13 | None | 50 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||||
CHEMBL410007 | 219574 | 0 | None | 1023 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@H](C)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||||
CHEMBL3349022 | 218183 | 0 | None | 3 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL4277590 | 220152 | 0 | None | 1 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL427974 | 220177 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]cn2)C(=O)N1)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O)[C@H](C)O)[C@H](C)CC | 10.1021/jm00055a010 | |||||
CHEMBL437421 | 220496 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc2ccc(O)cc2)CCCCNC(=O)CC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC1=O | 10.1021/jm00055a010 | |||||
CHEMBL4277590 | 220152 | 0 | None | 1 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL429159 | 220286 | 0 | None | 100 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@H](C)CC | 10.1021/jm00055a010 | |||||
CHEMBL4290445 | 220274 | 0 | None | 630 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4290445 | 220274 | 0 | None | 630 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL2311081 | 216283 | 0 | None | 58 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL3349022 | 218183 | 0 | None | 3 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL4277676 | 220154 | 0 | None | 100 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4284905 | 220229 | 0 | None | -3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4277676 | 220154 | 0 | None | 100 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4284905 | 220229 | 0 | None | -3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL3349022 | 218183 | 0 | None | 3 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL437863 | 220516 | 0 | None | 3 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
1504 | 9583 | 8 | None | -2 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | |||||
1518 | 9583 | 8 | None | -2 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | |||||
1521 | 9583 | 8 | None | -2 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | |||||
24868177 | 9583 | 8 | None | -2 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | |||||
44288922 | 9583 | 8 | None | -2 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | |||||
77068007 | 9583 | 8 | None | -2 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | |||||
90479759 | 9583 | 8 | None | -2 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | |||||
CHEMBL438945 | 9583 | 8 | None | -2 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | |||||
1507 | 9658 | 0 | None | 12 | 7 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00055a010 | |||||
44351001 | 9658 | 0 | None | 12 | 7 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00055a010 | |||||
91929182 | 9658 | 0 | None | 12 | 7 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00055a010 | |||||
CHEMBL265849 | 9658 | 0 | None | 12 | 7 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00055a010 | |||||
CHEMBL3349022 | 218183 | 0 | None | 3 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL414051 | 219885 | 0 | None | 323 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||||
CHEMBL3349039 | 218186 | 0 | None | 4 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
44350924 | 175767 | 0 | None | 36 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||
91929378 | 175767 | 0 | None | 36 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||
CHEMBL439122 | 175767 | 0 | None | 36 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||
CHEMBL2370634 | 216680 | 0 | None | 208 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CNC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||||
CHEMBL3349022 | 218183 | 0 | None | 3 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL4279973 | 220180 | 0 | None | -8 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4280392 | 220185 | 0 | None | 100 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4294418 | 220310 | 0 | None | 38 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC1=O | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL3349022 | 218183 | 0 | None | 3 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL4279973 | 220180 | 0 | None | -8 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4280392 | 220185 | 0 | None | 100 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4294418 | 220310 | 0 | None | 38 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC1=O | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL437656 | 220508 | 0 | None | 3 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@H](C)CC | 10.1021/jm00055a010 | |||||
CHEMBL3349022 | 218183 | 0 | None | 3 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL263848 | 217371 | 0 | None | 16 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||||
CHEMBL2370632 | 216678 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CNC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||||
CHEMBL3349022 | 218183 | 0 | None | 3 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL4281010 | 220192 | 0 | None | 12 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4283257 | 220216 | 0 | None | 645 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL2440926 | 217739 | 0 | None | -23 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCCCC(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCCC(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL3040657 | 217739 | 0 | None | -23 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCCCC(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCCC(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL4290488 | 220275 | 0 | None | -1 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4291705 | 220289 | 0 | None | 1 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL411117 | 219644 | 0 | None | -3801 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm010031k | |||||
CHEMBL408891 | 219517 | 0 | None | -199 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm050907d | |||||
3198 | 212292 | 76 | None | -46 | 34 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
CHEMBL1201049 | 212292 | 76 | None | -46 | 34 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
CHEMBL808 | 212292 | 76 | None | -46 | 34 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
44422859 | 175561 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1782 | 56 | 28 | 24 | -5.0 | CSc1ncccc1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm061454v | |||
91971091 | 175561 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1782 | 56 | 28 | 24 | -5.0 | CSc1ncccc1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm061454v | |||
CHEMBL437487 | 175561 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1782 | 56 | 28 | 24 | -5.0 | CSc1ncccc1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm061454v | |||
CHEMBL386823 | 219174 | 10 | None | -2 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC | 10.1021/jm010031k | |||||
CHEMBL591971 | 222582 | 0 | None | -1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.12.068 | |||||
44439570 | 159769 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 1742 | 54 | 29 | 23 | -6.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1CCCC(N)C1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
91936054 | 159769 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 1742 | 54 | 29 | 23 | -6.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1CCCC(N)C1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL397529 | 159769 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 1742 | 54 | 29 | 23 | -6.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1CCCC(N)C1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL2440912 | 217746 | 0 | None | -3 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1)CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL3040729 | 217746 | 0 | None | -3 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1)CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL413426 | 219845 | 0 | None | -234 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC | 10.1021/jm010031k | |||||
44350924 | 175767 | 0 | None | 36 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | |||
91929378 | 175767 | 0 | None | 36 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | |||
CHEMBL439122 | 175767 | 0 | None | 36 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | |||
CHEMBL4280898 | 220189 | 0 | None | -2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(CC(=O)O)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
44350924 | 175767 | 0 | None | 36 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | |||
91929378 | 175767 | 0 | None | 36 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | |||
CHEMBL439122 | 175767 | 0 | None | 36 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | |||
CHEMBL2440925 | 217742 | 0 | None | -32 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCC(=O)NCCCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL3040675 | 217742 | 0 | None | -32 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCC(=O)NCCCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL4280898 | 220189 | 0 | None | -2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(CC(=O)O)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
127030359 | 145985 | 0 | None | -1096 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 1845 | 61 | 29 | 21 | -1.5 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL3787528 | 145985 | 0 | None | -1096 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 1845 | 61 | 29 | 21 | -1.5 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL3787713 | 145985 | 0 | None | -1096 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 1845 | 61 | 29 | 21 | -1.5 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL4535525 | 145985 | 0 | None | -1096 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 1845 | 61 | 29 | 21 | -1.5 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL2440915 | 217744 | 0 | None | -5 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1)CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL3040692 | 217744 | 0 | None | -5 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1)CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL438914 | 220586 | 16 | None | -54 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC)[C@@H](C)CC | 10.1021/jm010031k | |||||
CHEMBL2440928 | 217740 | 0 | None | -39 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL3040658 | 217740 | 0 | None | -39 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL2440185 | 217254 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm4008505 | |||||
CHEMBL3349022 | 218183 | 0 | None | 3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL4289416 | 220265 | 0 | None | 8 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4290891 | 220283 | 0 | None | -5 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4278746 | 220170 | 0 | None | 3 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4287140 | 220247 | 0 | None | -1000 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4289416 | 220265 | 0 | None | 8 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4290891 | 220283 | 0 | None | -5 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4278746 | 220170 | 0 | None | 3 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4287140 | 220247 | 0 | None | -1000 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
10820168 | 103635 | 0 | None | -47 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 1192 | 37 | 16 | 15 | -2.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC | 10.1021/jm010031k | |||
CHEMBL265391 | 103635 | 0 | None | -47 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 1192 | 37 | 16 | 15 | -2.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC | 10.1021/jm010031k | |||
127029975 | 145994 | 0 | None | -338 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 1675 | 55 | 28 | 20 | -1.9 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL3785576 | 145994 | 0 | None | -338 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 1675 | 55 | 28 | 20 | -1.9 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL3787766 | 145994 | 0 | None | -338 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 1675 | 55 | 28 | 20 | -1.9 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
44439571 | 167966 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1762 | 54 | 29 | 23 | -5.8 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1Cc2ccccc2N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
91936055 | 167966 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1762 | 54 | 29 | 23 | -5.8 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1Cc2ccccc2N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL411766 | 167966 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1762 | 54 | 29 | 23 | -5.8 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1Cc2ccccc2N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL3349022 | 218183 | 0 | None | 3 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL2440927 | 217751 | 0 | None | -57 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL3040781 | 217751 | 0 | None | -57 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL3349022 | 218183 | 0 | None | 3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL4290615 | 220276 | 0 | None | 1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4293564 | 220303 | 0 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N(C)[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4281010 | 220192 | 0 | None | 12 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4283257 | 220216 | 0 | None | 645 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL3349038 | 218185 | 0 | None | 6 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL2370624 | 216671 | 0 | None | 95 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CNC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||||
CHEMBL3349022 | 218183 | 0 | None | 3 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL3349022 | 218183 | 0 | None | 3 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL4285633 | 220236 | 0 | None | 39 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4287058 | 220246 | 0 | None | 316 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4294277 | 220309 | 0 | None | 10 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL411979 | 219746 | 0 | None | 83 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@H](C)CC | 10.1021/jm00055a010 | |||||
CHEMBL4285633 | 220236 | 0 | None | 39 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4287058 | 220246 | 0 | None | 316 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4294277 | 220309 | 0 | None | 10 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL127282 | 215449 | 0 | None | 1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL3349022 | 218183 | 0 | None | 3 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
71719108 | 92826 | 1 | None | 125 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 895 | 16 | 6 | 11 | 3.5 | N=C(N)NCCC[C@@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O | 10.1016/j.bmc.2013.08.065 | |||
CHEMBL2307889 | 92826 | 1 | None | 125 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 895 | 16 | 6 | 11 | 3.5 | N=C(N)NCCC[C@@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O | 10.1016/j.bmc.2013.08.065 | |||
44351121 | 165769 | 0 | None | 6 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 3255 | 91 | 45 | 45 | -10.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||
91929374 | 165769 | 0 | None | 6 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 3255 | 91 | 45 | 45 | -10.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||
CHEMBL409634 | 165769 | 0 | None | 6 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 3255 | 91 | 45 | 45 | -10.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||
CHEMBL3349022 | 218183 | 0 | None | 3 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL4290615 | 220276 | 0 | None | 1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL393255 | 219245 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2007.01.045 | |||||
CHEMBL4293564 | 220303 | 0 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N(C)[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL439307 | 220615 | 17 | None | -57 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm950811r | |||||
CHEMBL2440195 | 217263 | 0 | None | -15 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm4008505 | |||||
CHEMBL2440898 | 217743 | 0 | None | -11 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(=O)NCCCCNC(=O)CNC(=O)CCC(=O)NCCN(CCN)CCNC(=O)CCC(=O)NCC(=O)NCCCCNC(=O)NCc2ccc(CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL3040691 | 217743 | 0 | None | -11 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(=O)NCCCCNC(=O)CNC(=O)CCC(=O)NCCN(CCN)CCNC(=O)CCC(=O)NCC(=O)NCCCCNC(=O)NCc2ccc(CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL4289021 | 220262 | 0 | None | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4289021 | 220262 | 0 | None | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4281120 | 220193 | 0 | None | 3 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4283705 | 220220 | 0 | None | -1 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4282616 | 220211 | 0 | None | -50 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4281120 | 220193 | 0 | None | 3 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4283705 | 220220 | 0 | None | -1 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4282616 | 220211 | 0 | None | -50 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL3104111 | 217831 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)NCCCCCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC | 10.1016/j.bmcl.2013.11.061 | |||||
CHEMBL2371910 | 216929 | 0 | None | -69 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm050907d | |||||
CHEMBL268200 | 217521 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||||
CHEMBL238533 | 217172 | 0 | None | 128 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||||
CHEMBL4282168 | 220208 | 0 | None | 199 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL266730 | 217475 | 0 | None | 51 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00055a010 | |||||
CHEMBL4282168 | 220208 | 0 | None | 199 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL3349022 | 218183 | 0 | None | 3 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL3349341 | 218187 | 0 | None | 72 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL427966 | 220176 | 0 | None | 25 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||||
CHEMBL392889 | 219239 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||||
CHEMBL2371910 | 216929 | 0 | None | -69 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm050907d | |||||
CHEMBL4290048 | 220269 | 0 | None | -1995 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4290048 | 220269 | 0 | None | -1995 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL265426 | 217429 | 0 | None | -77 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm950811r | |||||
CHEMBL2371909 | 216928 | 0 | None | -87 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm050907d | |||||
CHEMBL4277697 | 220155 | 0 | None | 1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4283846 | 220222 | 0 | None | 3 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CO)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL2371911 | 216930 | 0 | None | -154 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm050907d | |||||
CHEMBL429071 | 220279 | 0 | None | -81 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm950811r | |||||
16216479 | 92299 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm061454v | |||
91936049 | 92299 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm061454v | |||
CHEMBL227456 | 92299 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm061454v | |||
16216479 | 92299 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
91936049 | 92299 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL227456 | 92299 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
44439564 | 98561 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1cccc(N)c1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
91936057 | 98561 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1cccc(N)c1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL241105 | 98561 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1cccc(N)c1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL3349022 | 218183 | 0 | None | 3 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL3349022 | 218183 | 0 | None | 3 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL4277697 | 220155 | 0 | None | 1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4283846 | 220222 | 0 | None | 3 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CO)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL2440911 | 217750 | 0 | None | -18 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1)CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL3040758 | 217750 | 0 | None | -18 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1)CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
155543070 | 179968 | 0 | None | -257 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1761 | 57 | 30 | 22 | -3.5 | CCC(=O)N[C@@H](CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL4522438 | 179968 | 0 | None | -257 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1761 | 57 | 30 | 22 | -3.5 | CCC(=O)N[C@@H](CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL4570354 | 179968 | 0 | None | -257 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1761 | 57 | 30 | 22 | -3.5 | CCC(=O)N[C@@H](CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL428017 | 220181 | 17 | None | 41 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2013.11.061 | |||||
CHEMBL4286615 | 220243 | 0 | None | -501 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL428017 | 220181 | 17 | None | 41 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2007.01.045 | |||||
44439569 | 167963 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1766 | 55 | 29 | 24 | -5.9 | COc1cc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)ccc1N | 10.1016/j.bmcl.2006.10.007 | |||
91936061 | 167963 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1766 | 55 | 29 | 24 | -5.9 | COc1cc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)ccc1N | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL411765 | 167963 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1766 | 55 | 29 | 24 | -5.9 | COc1cc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)ccc1N | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL4286615 | 220243 | 0 | None | -501 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL604165 | 222600 | 0 | None | -14 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1016/j.bmcl.2009.12.068 | |||||
44351120 | 175589 | 0 | None | 16 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 3255 | 89 | 45 | 45 | -10.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||
91929372 | 175589 | 0 | None | 16 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 3255 | 89 | 45 | 45 | -10.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||
CHEMBL437671 | 175589 | 0 | None | 16 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 3255 | 89 | 45 | 45 | -10.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||
CHEMBL4280250 | 220183 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4287469 | 220249 | 0 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL413871 | 219872 | 0 | None | -12 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm050907d | |||||
CHEMBL4280250 | 220183 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4287469 | 220249 | 0 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4276961 | 220147 | 0 | None | -501187 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4276961 | 220147 | 0 | None | -501187 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL2371911 | 216930 | 0 | None | -154 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm050907d | |||||
CHEMBL2110365 | 215992 | 4 | None | -204 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm010031k | |||||
44439568 | 103804 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1750 | 54 | 29 | 23 | -5.6 | Cc1cc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)ccc1N | 10.1016/j.bmcl.2006.10.007 | |||
91936060 | 103804 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1750 | 54 | 29 | 23 | -5.6 | Cc1cc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)ccc1N | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL266814 | 103804 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1750 | 54 | 29 | 23 | -5.6 | Cc1cc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)ccc1N | 10.1016/j.bmcl.2006.10.007 | |||
44439565 | 159767 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(N)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
91936058 | 159767 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(N)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL397528 | 159767 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(N)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
44439567 | 175469 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1770 | 54 | 29 | 23 | -5.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(N)cc1Cl)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
91936048 | 175469 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1770 | 54 | 29 | 23 | -5.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(N)cc1Cl)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL436630 | 175469 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1770 | 54 | 29 | 23 | -5.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(N)cc1Cl)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
44439566 | 175539 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1721 | 54 | 28 | 22 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
91936059 | 175539 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1721 | 54 | 28 | 22 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL437290 | 175539 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1721 | 54 | 28 | 22 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL4278700 | 220169 | 0 | None | -63 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4288294 | 220257 | 0 | None | 15 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4278700 | 220169 | 0 | None | -63 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4288294 | 220257 | 0 | None | 15 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
44351146 | 175991 | 0 | None | 3 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 3255 | 89 | 45 | 45 | -10.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||
91929377 | 175991 | 0 | None | 3 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 3255 | 89 | 45 | 45 | -10.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||
CHEMBL440824 | 175991 | 0 | None | 3 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 3255 | 89 | 45 | 45 | -10.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||
CHEMBL2440924 | 217269 | 0 | None | -20 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL410780 | 219619 | 0 | None | -6 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm950811r | |||||
44283050 | 166261 | 0 | None | -1348 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 2323 | 60 | 32 | 30 | -6.7 | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm010031k | |||
91931647 | 166261 | 0 | None | -1348 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 2323 | 60 | 32 | 30 | -6.7 | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm010031k | |||
CHEMBL410166 | 166261 | 0 | None | -1348 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 2323 | 60 | 32 | 30 | -6.7 | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm010031k | |||
CHEMBL4291016 | 220284 | 0 | None | -6 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4291016 | 220284 | 0 | None | -6 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL397527 | 219286 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||||
CHEMBL2440922 | 217745 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | NCCCCCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL3040693 | 217745 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | NCCCCCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL2440185 | 217254 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm4008505 | |||||
CHEMBL3349022 | 218183 | 0 | None | 3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL2110196 | 215991 | 0 | None | -4 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm950811r | |||||
CHEMBL2440196 | 217264 | 0 | None | -7 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm4008505 | |||||
127031281 | 145984 | 0 | None | -537 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 1789 | 59 | 29 | 21 | -2.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL3785569 | 145984 | 0 | None | -537 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 1789 | 59 | 29 | 21 | -2.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL3787712 | 145984 | 0 | None | -537 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 1789 | 59 | 29 | 21 | -2.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL411793 | 219735 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CCCCNC(=O)CC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC1=O | 10.1016/j.bmcl.2006.10.007 | |||||
155549336 | 181042 | 0 | None | -269 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 1761 | 57 | 30 | 22 | -3.5 | CCC(=O)N[C@H](CCCC[C@@H](N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL4549208 | 181042 | 0 | None | -269 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 1761 | 57 | 30 | 22 | -3.5 | CCC(=O)N[C@H](CCCC[C@@H](N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL2440913 | 217747 | 0 | None | -14 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)c1ccc(C(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1)CCNC(=O)c1ccc(C(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL3040730 | 217747 | 0 | None | -14 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)c1ccc(C(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1)CCNC(=O)c1ccc(C(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL4276796 | 220145 | 0 | None | 19 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC1=O | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4279133 | 220172 | 0 | None | 7 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CC(=O)O)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4276796 | 220145 | 0 | None | 19 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC1=O | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4279133 | 220172 | 0 | None | 7 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CC(=O)O)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4282216 | 220209 | 0 | None | -1258 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CN(C(=N)N)C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4282216 | 220209 | 0 | None | -1258 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CN(C(=N)N)C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL234198 | 216315 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2007.01.045 | |||||
CHEMBL3349022 | 218183 | 0 | None | 3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
44283143 | 168477 | 0 | None | -363 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 2361 | 75 | 32 | 32 | -6.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm010031k | |||
91931648 | 168477 | 0 | None | -363 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 2361 | 75 | 32 | 32 | -6.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm010031k | |||
CHEMBL413455 | 168477 | 0 | None | -363 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 2361 | 75 | 32 | 32 | -6.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm010031k | |||
155524657 | 177768 | 0 | None | -1513 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 1705 | 55 | 30 | 22 | -4.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)CCCC[C@@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL4456247 | 177768 | 0 | None | -1513 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 1705 | 55 | 30 | 22 | -4.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)CCCC[C@@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL2440899 | 217749 | 0 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O)CCNC(=O)CCC(=O)NCCCCCCNC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL3040747 | 217749 | 0 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O)CCNC(=O)CCC(=O)NCCCCCCNC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL3349022 | 218183 | 0 | None | 3 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL2371908 | 216927 | 0 | None | -17782 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O | 10.1021/jm050907d | |||||
CHEMBL269267 | 217563 | 0 | None | 13 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||||
CHEMBL3104112 | 217832 | 0 | None | 69 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)c1cccnc1SCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2013.11.061 | |||||
CHEMBL3104224 | 217833 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | None | None | None | CCC(=O)NCCNC(=O)CCCC(=O)NC(=N)NCCC[C@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O | 10.1016/j.bmcl.2013.11.061 | |||||
CHEMBL2440914 | 217748 | 0 | None | -26 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1)CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL3040731 | 217748 | 0 | None | -26 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1)CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL429005 | 220270 | 0 | None | 5 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||||
85472343 | 179081 | 0 | None | -154 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 1705 | 55 | 30 | 22 | -4.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL4475071 | 179081 | 0 | None | -154 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 1705 | 55 | 30 | 22 | -4.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL441204 | 220664 | 0 | None | -10 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm950811r | |||||
1504 | 9583 | 8 | None | -2 | 10 | Human | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 7559383 | |||||
1518 | 9583 | 8 | None | -2 | 10 | Human | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 7559383 | |||||
1521 | 9583 | 8 | None | -2 | 10 | Human | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 7559383 | |||||
24868177 | 9583 | 8 | None | -2 | 10 | Human | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 7559383 | |||||
44288922 | 9583 | 8 | None | -2 | 10 | Human | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 7559383 | |||||
77068007 | 9583 | 8 | None | -2 | 10 | Human | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 7559383 | |||||
90479759 | 9583 | 8 | None | -2 | 10 | Human | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 7559383 | |||||
CHEMBL438945 | 9583 | 8 | None | -2 | 10 | Human | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 7559383 | |||||
164509830 | 222834 | 0 | 125I-PYY | 1 | 8 | Guinea pig | 10.5 | pKi | = | 10.5 | Binding | PDSP KiDatabase | 1343 | 78 | 1 | 7 | 27.5 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC | None | |||
164509830 | 222834 | 0 | [125I] - Peptide YY | -2 | 8 | Rat | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 1343 | 78 | 1 | 7 | 27.5 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC | None | |||
164509830 | 222834 | 0 | [125I] - Peptide YY | -2 | 8 | Rat | 10.1 | pKi | = | 10.1 | Binding | PDSP KiDatabase | 1343 | 78 | 1 | 7 | 27.5 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC | None | |||
126455957 | 222833 | 0 | 125I-PYY | -3 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | PDSP KiDatabase | 4307 | 134 | 63 | 59 | -16.4 | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC6=CNC=N6)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC8=CC=C(C=C8)O)C(=O)N)NC(=O)[C@@H]9CCCN9C(=O)[C@H](CC1=CC=C(C=C1)O)N | None | |||
126455957 | 222833 | 0 | 125I-PYY | -3 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 4307 | 134 | 63 | 59 | -16.4 | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC6=CNC=N6)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC8=CC=C(C=C8)O)C(=O)N)NC(=O)[C@@H]9CCCN9C(=O)[C@H](CC1=CC=C(C=C1)O)N | None | |||
164509830 | 222834 | 0 | 125I-PYY | -10 | 8 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 1343 | 78 | 1 | 7 | 27.5 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC | None | |||
164509830 | 222834 | 0 | 125I-PYY | -10 | 8 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 1343 | 78 | 1 | 7 | 27.5 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC | None | |||
126455957 | 222833 | 0 | 125I-NPY | -3 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 4307 | 134 | 63 | 59 | -16.4 | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC6=CNC=N6)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC8=CC=C(C=C8)O)C(=O)N)NC(=O)[C@@H]9CCCN9C(=O)[C@H](CC1=CC=C(C=C1)O)N | None | |||
56841989 | 220199 | 6 | 125I-PYY | -2 | 7 | Mouse | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | None | |||||
CHEMBL4281479 | 220199 | 6 | 125I-PYY | -2 | 7 | Mouse | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | None | |||||
126455957 | 222833 | 0 | 125I-PYY | -3 | 5 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 4307 | 134 | 63 | 59 | -16.4 | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC6=CNC=N6)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC8=CC=C(C=C8)O)C(=O)N)NC(=O)[C@@H]9CCCN9C(=O)[C@H](CC1=CC=C(C=C1)O)N | None | |||
21129772 | 176203 | 4 | [125I] - Peptide YY | -309 | 9 | Chicken | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | |||
CHEMBL44246 | 176203 | 4 | [125I] - Peptide YY | -309 | 9 | Chicken | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | |||
None | 222835 | 0 | [125I] - Peptide YY | -331131 | 13 | Chicken | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
None | 222835 | 0 | 125I-PYY | -501187 | 13 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
None | 222835 | 0 | 3H-Propionyl-NPY | -501187 | 13 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
None | 222835 | 0 | 125I-PYY | -331131 | 13 | Mouse | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
None | 222835 | 0 | [125I] - Peptide YY | -331131 | 13 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
None | 222836 | 0 | 125I-PYY | -165958 | 4 | Guinea pig | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
None | 222837 | 0 | [125I] - Peptide YY | -371535 | 8 | Chicken | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 444 | 3 | 1 | 3 | 7.0 | C1C(CC2=CC=CC=C2C1C3=C(OC4=CC=CC=C4C3=O)O)C5=CC=C(C=C5)C6=CC=CC=C6 | None | |||
None | 222837 | 0 | [125I] - Peptide YY | -371535 | 8 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 444 | 3 | 1 | 3 | 7.0 | C1C(CC2=CC=CC=C2C1C3=C(OC4=CC=CC=C4C3=O)O)C5=CC=C(C=C5)C6=CC=CC=C6 | None | |||
None | 223267 | 0 | [125I] - Peptide YY | -1258 | 3 | Chicken | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 750 | 15 | 3 | 6 | 5.2 | CN(C)CC1CCC(CC1)CN=C(C2=CC=C(C=C2)CC(C(=O)N3CCCC3)NC(=O)C(CC4=CC=CC=C4)NS(=O)(=O)C5=CC6=CC=CC=C6C=C5)N | None | |||
3075702 | 224111 | 0 | 125I-Peptide YY | -2 | 37 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 198 | 3 | 1 | 3 | 1.5 | C1CNC1COC2=CN=C(C=C2)Cl | None | |||
44208932 | 147485 | 7 | UNDEFINED | -89125 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 475 | 5 | 1 | 3 | 6.8 | Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 | None | |||
CHEMBL381689 | 147485 | 7 | UNDEFINED | -89125 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 475 | 5 | 1 | 3 | 6.8 | Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 | None | |||
21129772 | 176203 | 4 | 125I-PYY | -3090 | 9 | Guinea pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | |||
CHEMBL44246 | 176203 | 4 | 125I-PYY | -3090 | 9 | Guinea pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | |||
1973 | 210262 | 15 | 125I-NEUROPEPTIDE Y | -3 | 36 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | |||
CHEMBL1394464 | 210262 | 15 | 125I-NEUROPEPTIDE Y | -3 | 36 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | |||
CHEMBL66089 | 210262 | 15 | 125I-NEUROPEPTIDE Y | -3 | 36 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | |||
None | 222835 | 0 | 125I-PYY | -501187 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
56841989 | 220199 | 6 | 125I-PYY | -2 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | None | |||||
CHEMBL4281479 | 220199 | 6 | 125I-PYY | -2 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | None | |||||
126455957 | 222833 | 0 | 125I-PYY | -3 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 4307 | 134 | 63 | 59 | -16.4 | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC6=CNC=N6)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC8=CC=C(C=C8)O)C(=O)N)NC(=O)[C@@H]9CCCN9C(=O)[C@H](CC1=CC=C(C=C1)O)N | None | |||
None | 222835 | 0 | 125I-PYY | -501187 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
3198 | 212292 | 76 | None | -46 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | |||
CHEMBL1201049 | 212292 | 76 | None | -46 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | |||
CHEMBL808 | 212292 | 76 | None | -46 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | |||
None | 223014 | 0 | [125I] - Peptide YY | 83 | 3 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 895 | 16 | 5 | 11 | 3.3 | C1CCC(C1)(CC(=O)NC(CCCN=C(N)N)C(=O)NCCN2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)N5CCN(CC5)C6C7=CC=CC=C7C(=O)NC8=CC=CC=C68 | None | |||
None | 223014 | 0 | [125I] - Peptide YY | -83 | 3 | Chicken | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 895 | 16 | 5 | 11 | 3.3 | C1CCC(C1)(CC(=O)NC(CCCN=C(N)N)C(=O)NCCN2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)N5CCN(CC5)C6C7=CC=CC=C7C(=O)NC8=CC=CC=C68 | None | |||
None | 223014 | 0 | [125I] - Peptide YY | 83 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 895 | 16 | 5 | 11 | 3.3 | C1CCC(C1)(CC(=O)NC(CCCN=C(N)N)C(=O)NCCN2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)N5CCN(CC5)C6C7=CC=CC=C7C(=O)NC8=CC=CC=C68 | None | |||
1515 | 9826 | 0 | None | -1 | 6 | Rat | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
CHEMBL269503 | 9826 | 0 | None | -1 | 6 | Rat | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
1532 | 8812 | 0 | None | - | 1 | Rat | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
1549 | 9663 | 0 | None | -2 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
155817422 | 9663 | 0 | None | -2 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1516 | 10016 | 0 | None | 39 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1516 | 10016 | 0 | None | 39 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
57339564 | 10016 | 0 | None | 39 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
57339564 | 10016 | 0 | None | 39 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
91898411 | 10016 | 0 | None | 39 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
91898411 | 10016 | 0 | None | 39 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
1504 | 9583 | 8 | None | -2 | 10 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1504 | 9583 | 8 | None | -2 | 10 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
1518 | 9583 | 8 | None | -2 | 10 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1518 | 9583 | 8 | None | -2 | 10 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
1521 | 9583 | 8 | None | -2 | 10 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1521 | 9583 | 8 | None | -2 | 10 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
24868177 | 9583 | 8 | None | -2 | 10 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
24868177 | 9583 | 8 | None | -2 | 10 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
44288922 | 9583 | 8 | None | -2 | 10 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
44288922 | 9583 | 8 | None | -2 | 10 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
77068007 | 9583 | 8 | None | -2 | 10 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
77068007 | 9583 | 8 | None | -2 | 10 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
90479759 | 9583 | 8 | None | -2 | 10 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
90479759 | 9583 | 8 | None | -2 | 10 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
CHEMBL438945 | 9583 | 8 | None | -2 | 10 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
CHEMBL438945 | 9583 | 8 | None | -2 | 10 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
1504 | 9583 | 8 | None | -2 | 10 | Rat | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
1518 | 9583 | 8 | None | -2 | 10 | Rat | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
1521 | 9583 | 8 | None | -2 | 10 | Rat | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
24868177 | 9583 | 8 | None | -2 | 10 | Rat | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
44288922 | 9583 | 8 | None | -2 | 10 | Rat | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
77068007 | 9583 | 8 | None | -2 | 10 | Rat | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
90479759 | 9583 | 8 | None | -2 | 10 | Rat | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
CHEMBL438945 | 9583 | 8 | None | -2 | 10 | Rat | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
1517 | 10017 | 0 | None | 70 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1517 | 10017 | 0 | None | 70 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
1515 | 9826 | 0 | None | -5 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
CHEMBL269503 | 9826 | 0 | None | -5 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1524 | 9083 | 0 | None | -1000 | 3 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
1545 | 9082 | 0 | None | -25118 | 4 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1527 | 9084 | 0 | None | -9999 | 5 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
1546 | 9965 | 0 | None | -1584 | 4 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
1540 | 9665 | 0 | None | - | 1 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
155817421 | 9665 | 0 | None | - | 1 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1544 | 8282 | 0 | None | -25 | 4 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
1544 | 8282 | 0 | None | -7 | 4 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
1539 | 9662 | 0 | None | 128 | 2 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
44265059 | 9662 | 0 | None | 128 | 2 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
91932206 | 9662 | 0 | None | 128 | 2 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
CHEMBL428276 | 9662 | 0 | None | 128 | 2 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1547 | 7420 | 0 | None | - | 1 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 895 | 16 | 5 | 11 | 3.3 | NC(=NCCC[C@@H](C(=O)NCCn1c(=O)n(n(c1=O)c1ccccc1)c1ccccc1)NC(=O)CC1(CCCC1)CC(=O)N1CCN(CC1)C1c2ccccc2NC(=O)c2c1cccc2)N | 11408607 | |||
9811493 | 7420 | 0 | None | - | 1 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 895 | 16 | 5 | 11 | 3.3 | NC(=NCCC[C@@H](C(=O)NCCn1c(=O)n(n(c1=O)c1ccccc1)c1ccccc1)NC(=O)CC1(CCCC1)CC(=O)N1CCN(CC1)C1c2ccccc2NC(=O)c2c1cccc2)N | 11408607 | |||
CHEMBL540989 | 7420 | 0 | None | - | 1 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 895 | 16 | 5 | 11 | 3.3 | NC(=NCCC[C@@H](C(=O)NCCn1c(=O)n(n(c1=O)c1ccccc1)c1ccccc1)NC(=O)CC1(CCCC1)CC(=O)N1CCN(CC1)C1c2ccccc2NC(=O)c2c1cccc2)N | 11408607 | |||
1536 | 9659 | 0 | None | - | 1 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
155817419 | 9659 | 0 | None | - | 1 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1534 | 7551 | 0 | None | - | 1 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1538 | 9661 | 0 | None | - | 1 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
155817420 | 9661 | 0 | None | - | 1 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1507 | 9658 | 0 | None | 12 | 7 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1507 | 9658 | 0 | None | 12 | 7 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
44351001 | 9658 | 0 | None | 12 | 7 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
44351001 | 9658 | 0 | None | 12 | 7 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
91929182 | 9658 | 0 | None | 12 | 7 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
91929182 | 9658 | 0 | None | 12 | 7 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
CHEMBL265849 | 9658 | 0 | None | 12 | 7 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
CHEMBL265849 | 9658 | 0 | None | 12 | 7 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
134813886 | 9657 | 0 | None | - | 1 | Rat | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
1535 | 9657 | 0 | None | - | 1 | Rat | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
3903 | 9657 | 0 | None | - | 1 | Rat | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
1508 | 9664 | 0 | None | 35 | 2 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1508 | 9664 | 0 | None | 35 | 2 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
155817417 | 9664 | 0 | None | 35 | 2 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
155817417 | 9664 | 0 | None | 35 | 2 | Human | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
1533 | 8813 | 0 | None | - | 1 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
1510 | 9666 | 0 | None | -1 | 6 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
155817418 | 9666 | 0 | None | -1 | 6 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
16142730 | 9666 | 0 | None | -1 | 6 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
1505 | 9656 | 0 | None | -4 | 4 | Human | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1505 | 9656 | 0 | None | -4 | 4 | Human | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
CHEMBL441396 | 9656 | 0 | None | -4 | 4 | Human | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
CHEMBL441396 | 9656 | 0 | None | -4 | 4 | Human | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
1510 | 9666 | 0 | None | 1 | 6 | Human | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
155817418 | 9666 | 0 | None | 1 | 6 | Human | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
16142730 | 9666 | 0 | None | 1 | 6 | Human | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
1514 | 9827 | 0 | None | 7 | 3 | Human | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1514 | 9827 | 0 | None | 7 | 3 | Human | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
1543 | 10019 | 0 | None | - | 1 | Rat | 9.9 | pKi | None | 9.9 | Binding | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
91663466 | 10019 | 0 | None | - | 1 | Rat | 9.9 | pKi | None | 9.9 | Binding | Guide to Pharmacology | None | None | None | None | 11408607 |