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 |
10883396 | 10421 | 45 | None | -2 | 15 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/ml400194r | ||
5283560 | 10421 | 45 | None | -2 | 15 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/ml400194r | ||
911 | 10421 | 45 | None | -2 | 15 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/ml400194r | ||
CHEMBL225155 | 10421 | 45 | None | -2 | 15 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/ml400194r | ||
9593133 | 115893 | 6 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 468 | 6 | 1 | 9 | 3.5 | Clc1ccc(-c2ccc(/C=N/Nc3cc(N4CCOCC4)nc(N4CCOCC4)n3)o2)cc1 | nan | ||
CHEMBL3213728 | 115893 | 6 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 468 | 6 | 1 | 9 | 3.5 | Clc1ccc(-c2ccc(/C=N/Nc3cc(N4CCOCC4)nc(N4CCOCC4)n3)o2)cc1 | nan | ||
58344778 | 161316 | 0 | None | -6309 | 5 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 360 | 4 | 1 | 6 | 4.0 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)cc1C#N | nan | ||
CHEMBL3902160 | 161316 | 0 | None | -6309 | 5 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 360 | 4 | 1 | 6 | 4.0 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)cc1C#N | nan | ||
CHEMBL3990889 | 161316 | 0 | None | -6309 | 5 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 360 | 4 | 1 | 6 | 4.0 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)cc1C#N | nan | ||
2113511 | 38393 | 30 | None | 10 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 324 | 5 | 0 | 4 | 2.5 | Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc1ccccc1 | nan | ||
CHEMBL1404553 | 38393 | 30 | None | 10 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 324 | 5 | 0 | 4 | 2.5 | Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc1ccccc1 | nan | ||
977094 | 29612 | 9 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 284 | 2 | 0 | 4 | 2.1 | COc1cc2c(cc1OC)C1=C(C#N)CCC(=O)N1CC2 | nan | ||
CHEMBL1328358 | 29612 | 9 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 284 | 2 | 0 | 4 | 2.1 | COc1cc2c(cc1OC)C1=C(C#N)CCC(=O)N1CC2 | nan | ||
658787 | 53460 | 23 | None | 9 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 324 | 2 | 1 | 4 | 3.4 | Clc1ccc2nc(N3CCNCC3)nc(-c3ccccc3)c2c1 | nan | ||
CHEMBL1539075 | 53460 | 23 | None | 9 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 324 | 2 | 1 | 4 | 3.4 | Clc1ccc2nc(N3CCNCC3)nc(-c3ccccc3)c2c1 | nan | ||
67194420 | 149790 | 0 | None | -31622 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 468 | 8 | 2 | 8 | 3.0 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCO)no2)cc1C#N | nan | ||
CHEMBL3894716 | 149790 | 0 | None | -31622 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 468 | 8 | 2 | 8 | 3.0 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCO)no2)cc1C#N | nan | ||
2056575 | 115507 | 8 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 421 | 3 | 0 | 4 | 4.5 | COc1cc2c(cc1OC)C1=C(C#N)CC/C(=N\C(=O)c3ccc(Cl)cc3)N1CC2 | nan | ||
CHEMBL3208498 | 115507 | 8 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 421 | 3 | 0 | 4 | 4.5 | COc1cc2c(cc1OC)C1=C(C#N)CC/C(=N\C(=O)c3ccc(Cl)cc3)N1CC2 | nan | ||
1891819 | 43264 | 8 | None | 7 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 431 | 6 | 2 | 7 | 3.7 | CC(C)CCNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 | nan | ||
CHEMBL1447632 | 43264 | 8 | None | 7 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 431 | 6 | 2 | 7 | 3.7 | CC(C)CCNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 | nan | ||
3093171 | 52852 | 13 | None | 1 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 423 | 8 | 2 | 6 | 1.9 | O=S(=O)(c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1)N(CCO)CCO | nan | ||
CHEMBL1533401 | 52852 | 13 | None | 1 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 423 | 8 | 2 | 6 | 1.9 | O=S(=O)(c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1)N(CCO)CCO | nan | ||
733831 | 39016 | 10 | None | -2 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 328 | 4 | 0 | 7 | 2.8 | CCOC(=O)c1cc2ccc(OC(=O)c3ccco3)cc2oc1=O | nan | ||
CHEMBL1409828 | 39016 | 10 | None | -2 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 328 | 4 | 0 | 7 | 2.8 | CCOC(=O)c1cc2ccc(OC(=O)c3ccco3)cc2oc1=O | nan | ||
4669891 | 58583 | 16 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 386 | 3 | 0 | 4 | 5.5 | O=c1c(-c2nc3ccccc3s2)cccn1Cc1ccc(Cl)c(Cl)c1 | nan | ||
CHEMBL1585097 | 58583 | 16 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 386 | 3 | 0 | 4 | 5.5 | O=c1c(-c2nc3ccccc3s2)cccn1Cc1ccc(Cl)c(Cl)c1 | nan | ||
2016176 | 49237 | 8 | None | 9 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 441 | 7 | 2 | 6 | 4.6 | Nc1c(C(=O)NCCCc2ccccc2)c2nc3ccccc3nc2n1Cc1cccs1 | nan | ||
CHEMBL1499346 | 49237 | 8 | None | 9 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 441 | 7 | 2 | 6 | 4.6 | Nc1c(C(=O)NCCCc2ccccc2)c2nc3ccccc3nc2n1Cc1cccs1 | nan | ||
7756956 | 46418 | 6 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 353 | 5 | 0 | 5 | 1.8 | Cc1cc(C(=O)CN2C(=O)C(=O)N(C)C2=O)c(C)n1Cc1ccccc1 | nan | ||
CHEMBL1474501 | 46418 | 6 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 353 | 5 | 0 | 5 | 1.8 | Cc1cc(C(=O)CN2C(=O)C(=O)N(C)C2=O)c(C)n1Cc1ccccc1 | nan | ||
662039 | 27039 | 7 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 417 | 5 | 2 | 7 | 3.5 | CCC(C)NC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 | nan | ||
CHEMBL1305537 | 27039 | 7 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 417 | 5 | 2 | 7 | 3.5 | CCC(C)NC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 | nan | ||
3800606 | 41694 | 8 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 417 | 5 | 2 | 7 | 3.3 | CC(C)CNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 | nan | ||
CHEMBL1432243 | 41694 | 8 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 417 | 5 | 2 | 7 | 3.3 | CC(C)CNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 | nan | ||
44422601 | 92356 | 0 | None | -74 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 398 | 14 | 4 | 3 | 4.2 | CCCCCCCCCCc1ccc(NC(=O)[C@H](N)CCP(=O)(O)O)cc1 | 10.1016/j.bmc.2006.10.060 | ||
CHEMBL228139 | 92356 | 0 | None | -74 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 398 | 14 | 4 | 3 | 4.2 | CCCCCCCCCCc1ccc(NC(=O)[C@H](N)CCP(=O)(O)O)cc1 | 10.1016/j.bmc.2006.10.060 | ||
2842931 | 53326 | 14 | None | 2 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 328 | 3 | 0 | 4 | 5.4 | Clc1ccc(N2N=C(c3cccs3)CC2c2ccco2)cc1 | nan | ||
CHEMBL1537907 | 53326 | 14 | None | 2 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 328 | 3 | 0 | 4 | 5.4 | Clc1ccc(N2N=C(c3cccs3)CC2c2ccco2)cc1 | nan | ||
2113511 | 38393 | 30 | None | 10 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 324 | 5 | 0 | 4 | 2.5 | Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc1ccccc1 | nan | ||
CHEMBL1404553 | 38393 | 30 | None | 10 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 324 | 5 | 0 | 4 | 2.5 | Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc1ccccc1 | nan | ||
1472014 | 27405 | 12 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 352 | 3 | 0 | 4 | 4.8 | O=c1c(-c2nc3ccccc3s2)cccn1Cc1ccc(Cl)cc1 | nan | ||
CHEMBL1308408 | 27405 | 12 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 352 | 3 | 0 | 4 | 4.8 | O=c1c(-c2nc3ccccc3s2)cccn1Cc1ccc(Cl)cc1 | nan | ||
2460650 | 29574 | 13 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 341 | 6 | 0 | 7 | 2.7 | Cc1cc(C(=O)CSc2nnnn2C)c(C)n1Cc1ccccc1 | nan | ||
CHEMBL1328093 | 29574 | 13 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 341 | 6 | 0 | 7 | 2.7 | Cc1cc(C(=O)CSc2nnnn2C)c(C)n1Cc1ccccc1 | nan | ||
5398663 | 52616 | 20 | None | -1 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 285 | 3 | 2 | 5 | 2.0 | O=C(NCc1ccco1)c1cc2ccc(O)cc2oc1=O | nan | ||
CHEMBL1531320 | 52616 | 20 | None | -1 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 285 | 3 | 2 | 5 | 2.0 | O=C(NCc1ccco1)c1cc2ccc(O)cc2oc1=O | nan | ||
2837694 | 52559 | 6 | None | 74 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 420 | 8 | 1 | 5 | 3.2 | CN(C)CCCNS(=O)(=O)c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1 | nan | ||
CHEMBL1530797 | 52559 | 6 | None | 74 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 420 | 8 | 1 | 5 | 3.2 | CN(C)CCCNS(=O)(=O)c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1 | nan | ||
57390239 | 74683 | 0 | None | -25 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 339 | 3 | 0 | 4 | 3.7 | C/N=C1\S/C(=C\c2cc(C)n(Cc3ccccc3)c2C)C(=O)N1C | 10.1016/j.bmcl.2011.09.049 | ||
CHEMBL1910687 | 74683 | 0 | None | -25 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 339 | 3 | 0 | 4 | 3.7 | C/N=C1\S/C(=C\c2cc(C)n(Cc3ccccc3)c2C)C(=O)N1C | 10.1016/j.bmcl.2011.09.049 | ||
1950276 | 42794 | 8 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 474 | 8 | 2 | 8 | 2.8 | COc1ccccc1CNC(=O)c1c(N)n(CCCN2CCOCC2)c2nc3ccccc3nc12 | nan | ||
CHEMBL1443309 | 42794 | 8 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 474 | 8 | 2 | 8 | 2.8 | COc1ccccc1CNC(=O)c1c(N)n(CCCN2CCOCC2)c2nc3ccccc3nc12 | nan | ||
1472015 | 58227 | 16 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 332 | 3 | 0 | 4 | 4.5 | Cc1ccc(Cn2cccc(-c3nc4ccccc4s3)c2=O)cc1 | nan | ||
CHEMBL1582179 | 58227 | 16 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 332 | 3 | 0 | 4 | 4.5 | Cc1ccc(Cn2cccc(-c3nc4ccccc4s3)c2=O)cc1 | nan | ||
10883396 | 10421 | 45 | None | -2 | 15 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/jm100181s | ||
5283560 | 10421 | 45 | None | -2 | 15 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/jm100181s | ||
911 | 10421 | 45 | None | -2 | 15 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/jm100181s | ||
CHEMBL225155 | 10421 | 45 | None | -2 | 15 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/jm100181s | ||
5201463 | 58542 | 11 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 481 | 8 | 2 | 8 | 2.7 | Cc1cccn2c(=O)c3cc(C(=O)NCCc4ccccc4)c(=N)n(CCCn4ccnc4)c3nc12 | nan | ||
CHEMBL1584869 | 58542 | 11 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 481 | 8 | 2 | 8 | 2.7 | Cc1cccn2c(=O)c3cc(C(=O)NCCc4ccccc4)c(=N)n(CCCn4ccnc4)c3nc12 | nan | ||
4101144 | 35359 | 2 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 369 | 4 | 1 | 5 | 4.7 | CCC(C)n1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc21 | nan | ||
CHEMBL1376622 | 35359 | 2 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 369 | 4 | 1 | 5 | 4.7 | CCC(C)n1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc21 | nan | ||
2956626 | 59879 | 11 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 385 | 7 | 1 | 7 | 2.9 | CCOC(=O)c1c(C)n(C)c2ccc(OCC(O)Cn3nc(C)cc3C)cc12 | nan | ||
CHEMBL1597823 | 59879 | 11 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 385 | 7 | 1 | 7 | 2.9 | CCOC(=O)c1c(C)n(C)c2ccc(OCC(O)Cn3nc(C)cc3C)cc12 | nan | ||
647592 | 40204 | 17 | None | 1 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 401 | 5 | 2 | 6 | 2.7 | CC(C)n1c(=N)c(C(=O)NCCc2ccccc2)cc2c(=O)n3ccccc3nc21 | nan | ||
CHEMBL1419836 | 40204 | 17 | None | 1 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 401 | 5 | 2 | 6 | 2.7 | CC(C)n1c(=N)c(C(=O)NCCc2ccccc2)cc2c(=O)n3ccccc3nc21 | nan | ||
44422604 | 92223 | 0 | None | -234 | 5 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 432 | 15 | 4 | 4 | 4.4 | CCCCCCCCCCc1ccc(NC(=O)[C@H](N)CC(F)OP(=O)(O)O)cc1 | 10.1016/j.bmc.2006.10.060 | ||
CHEMBL226612 | 92223 | 0 | None | -234 | 5 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 432 | 15 | 4 | 4 | 4.4 | CCCCCCCCCCc1ccc(NC(=O)[C@H](N)CC(F)OP(=O)(O)O)cc1 | 10.1016/j.bmc.2006.10.060 | ||
44422606 | 92348 | 0 | None | -11 | 5 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 329 | 11 | 3 | 3 | 3.1 | CCCCCCc1ccc(OC[C@H](N)CCP(=O)(O)O)cc1 | 10.1016/j.bmc.2006.10.060 | ||
CHEMBL228049 | 92348 | 0 | None | -11 | 5 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 329 | 11 | 3 | 3 | 3.1 | CCCCCCc1ccc(OC[C@H](N)CCP(=O)(O)O)cc1 | 10.1016/j.bmc.2006.10.060 | ||
25110382 | 152887 | 0 | None | -34673 | 5 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 366 | 6 | 1 | 6 | 4.2 | CCOc1ccc(-c2nc(-c3cccc4c3CCC4O)no2)cc1OCC | nan | ||
CHEMBL3919445 | 152887 | 0 | None | -34673 | 5 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 366 | 6 | 1 | 6 | 4.2 | CCOc1ccc(-c2nc(-c3cccc4c3CCC4O)no2)cc1OCC | nan | ||
58344526 | 156907 | 4 | None | -35481 | 5 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 404 | 7 | 2 | 7 | 3.6 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCCO)no2)cc1C#N | nan | ||
CHEMBL3951270 | 156907 | 4 | None | -35481 | 5 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 404 | 7 | 2 | 7 | 3.6 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCCO)no2)cc1C#N | nan | ||
3239161 | 26439 | 11 | None | -10 | 3 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 278 | 2 | 0 | 6 | 1.1 | C=CCn1c(=O)c(C#N)cc2c(=O)n3ccccc3nc21 | nan | ||
CHEMBL1300662 | 26439 | 11 | None | -10 | 3 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 278 | 2 | 0 | 6 | 1.1 | C=CCn1c(=O)c(C#N)cc2c(=O)n3ccccc3nc21 | nan | ||
58344592 | 161345 | 0 | None | -51286 | 4 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 445 | 7 | 1 | 7 | 3.7 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N(C)C)no2)cc1C#N | nan | ||
CHEMBL3921214 | 161345 | 0 | None | -51286 | 4 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 445 | 7 | 1 | 7 | 3.7 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N(C)C)no2)cc1C#N | nan | ||
CHEMBL3991184 | 161345 | 0 | None | -51286 | 4 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 445 | 7 | 1 | 7 | 3.7 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N(C)C)no2)cc1C#N | nan | ||
7802604 | 33215 | 22 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 388 | 5 | 0 | 4 | 4.2 | Cc1cc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)c(C)n1Cc1ccccc1 | nan | ||
CHEMBL1359777 | 33215 | 22 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 388 | 5 | 0 | 4 | 4.2 | Cc1cc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)c(C)n1Cc1ccccc1 | nan | ||
1472012 | 58500 | 17 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 318 | 3 | 0 | 4 | 4.2 | O=c1c(-c2nc3ccccc3s2)cccn1Cc1ccccc1 | nan | ||
CHEMBL1584523 | 58500 | 17 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 318 | 3 | 0 | 4 | 4.2 | O=c1c(-c2nc3ccccc3s2)cccn1Cc1ccccc1 | nan | ||
9550812 | 31289 | 9 | None | -2 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 328 | 1 | 0 | 6 | 2.2 | Cc1ccccc1-n1c(=O)c(C#N)cc2c(=O)n3ccccc3nc21 | nan | ||
CHEMBL1342332 | 31289 | 9 | None | -2 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 328 | 1 | 0 | 6 | 2.2 | Cc1ccccc1-n1c(=O)c(C#N)cc2c(=O)n3ccccc3nc21 | nan | ||
52938426 | 10149 | 12 | None | -33884 | 5 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 360 | 4 | 1 | 6 | 4.0 | N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CC[C@@H]2N | nan | ||
9889 | 10149 | 12 | None | -33884 | 5 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 360 | 4 | 1 | 6 | 4.0 | N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CC[C@@H]2N | nan | ||
CHEMBL3899384 | 10149 | 12 | None | -33884 | 5 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 360 | 4 | 1 | 6 | 4.0 | N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CC[C@@H]2N | nan | ||
2864688 | 43208 | 9 | None | 2 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 473 | 4 | 1 | 4 | 4.6 | NS(=O)(=O)c1ccc(N2N=C(c3ccc(Br)cc3)CC2c2ccc(F)cc2)cc1 | nan | ||
CHEMBL1447076 | 43208 | 9 | None | 2 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 473 | 4 | 1 | 4 | 4.6 | NS(=O)(=O)c1ccc(N2N=C(c3ccc(Br)cc3)CC2c2ccc(F)cc2)cc1 | nan | ||
52938427 | 9758 | 55 | None | -1621 | 5 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | nan | ||
5383 | 9758 | 55 | None | -1621 | 5 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | nan | ||
8709 | 9758 | 55 | None | -1621 | 5 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | nan | ||
CHEMBL3707247 | 9758 | 55 | None | -1621 | 5 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | nan | ||
DB12612 | 9758 | 55 | None | -1621 | 5 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | nan | ||
164626769 | 193099 | 0 | None | - | 1 | Human | 10.5 | pIC50 | = | 10.5 | Functional | ChEMBL | 414 | 6 | 2 | 6 | 3.9 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C)cn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4874736 | 193099 | 0 | None | - | 1 | Human | 10.5 | pIC50 | = | 10.5 | Functional | ChEMBL | 414 | 6 | 2 | 6 | 3.9 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C)cn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
164623189 | 192407 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 403 | 4 | 2 | 4 | 4.7 | Cc1cc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4864274 | 192407 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 403 | 4 | 2 | 4 | 4.7 | Cc1cc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
164623189 | 192407 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 403 | 4 | 2 | 4 | 4.7 | Cc1cc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4864274 | 192407 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 403 | 4 | 2 | 4 | 4.7 | Cc1cc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
164626769 | 193099 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 414 | 6 | 2 | 6 | 3.9 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C)cn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4874736 | 193099 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 414 | 6 | 2 | 6 | 3.9 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C)cn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
164628551 | 193322 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 400 | 4 | 2 | 5 | 4.9 | Cc1cc(CNc2nc3cc(Cl)c(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4877932 | 193322 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 400 | 4 | 2 | 5 | 4.9 | Cc1cc(CNc2nc3cc(Cl)c(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
164628551 | 193322 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 400 | 4 | 2 | 5 | 4.9 | Cc1cc(CNc2nc3cc(Cl)c(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4877932 | 193322 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 400 | 4 | 2 | 5 | 4.9 | Cc1cc(CNc2nc3cc(Cl)c(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
164613342 | 191500 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 427 | 4 | 2 | 4 | 4.8 | Cc1cc(CNC(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4850513 | 191500 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 427 | 4 | 2 | 4 | 4.8 | Cc1cc(CNC(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
164613342 | 191500 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 427 | 4 | 2 | 4 | 4.8 | Cc1cc(CNC(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4850513 | 191500 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 427 | 4 | 2 | 4 | 4.8 | Cc1cc(CNC(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
164608769 | 191261 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 404 | 4 | 2 | 5 | 4.1 | Cc1cc(CNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4847056 | 191261 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 404 | 4 | 2 | 5 | 4.1 | Cc1cc(CNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
164608769 | 191261 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 404 | 4 | 2 | 5 | 4.1 | Cc1cc(CNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4847056 | 191261 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 404 | 4 | 2 | 5 | 4.1 | Cc1cc(CNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
164616769 | 191612 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 405 | 4 | 3 | 6 | 3.9 | Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4852127 | 191612 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 405 | 4 | 3 | 6 | 3.9 | Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
71547630 | 139913 | 0 | None | 3 | 2 | Rat | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 592 | 9 | 3 | 6 | 6.6 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(C(=O)Oc3ccc(C(C)(C)C(=O)O)cc3)c2)CC1 | nan | ||
CHEMBL3703202 | 139913 | 0 | None | 3 | 2 | Rat | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 592 | 9 | 3 | 6 | 6.6 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(C(=O)Oc3ccc(C(C)(C)C(=O)O)cc3)c2)CC1 | nan | ||
CHEMBL5076031 | 221188 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | None | None | None | CC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
164627170 | 193063 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 428 | 4 | 2 | 5 | 4.2 | Cc1cc(CNC(=O)c2cc3c(Cl)nc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4874151 | 193063 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 428 | 4 | 2 | 5 | 4.2 | Cc1cc(CNC(=O)c2cc3c(Cl)nc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
164627170 | 193063 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 428 | 4 | 2 | 5 | 4.2 | Cc1cc(CNC(=O)c2cc3c(Cl)nc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4874151 | 193063 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 428 | 4 | 2 | 5 | 4.2 | Cc1cc(CNC(=O)c2cc3c(Cl)nc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
71547558 | 139912 | 0 | None | 4 | 2 | Rat | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 536 | 9 | 3 | 5 | 6.4 | CC(C)CC1(O)CN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)C1 | nan | ||
CHEMBL3703201 | 139912 | 0 | None | 4 | 2 | Rat | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 536 | 9 | 3 | 5 | 6.4 | CC(C)CC1(O)CN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)C1 | nan | ||
CHEMBL5091304 | 222082 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | None | None | None | CCOc1cc2[nH]c(Cc3nn(CC(=O)N4CCOCC4)c(=O)c4ccccc34)nc2cc1Cl | 10.1021/acs.jmedchem.1c01066 | ||||
570353 | 49838 | 6 | None | 15 | 4 | Human | 7.0 | pIC50 | = | 7 | 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 | 15 | 4 | Human | 7.0 | pIC50 | = | 7 | 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 | ||
CHEMBL5087855 | 221901 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | None | None | None | O=C(Cc1nn(CC(=O)N2CCOCC2)c(=O)c2ccccc12)Nc1ccc(OC(F)(F)F)c(Cl)c1 | 10.1021/acs.jmedchem.1c01066 | ||||
CHEMBL5093130 | 222188 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | None | None | None | CC(C)(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
164609902 | 192035 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 433 | 6 | 2 | 6 | 3.8 | CCOc1cc(NC(=O)NCc2cc(C)c(N3CC(C)OC(C)C3)cn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4858509 | 192035 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 433 | 6 | 2 | 6 | 3.8 | CCOc1cc(NC(=O)NCc2cc(C)c(N3CC(C)OC(C)C3)cn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
164609902 | 192035 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 433 | 6 | 2 | 6 | 3.8 | CCOc1cc(NC(=O)NCc2cc(C)c(N3CC(C)OC(C)C3)cn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4858509 | 192035 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 433 | 6 | 2 | 6 | 3.8 | CCOc1cc(NC(=O)NCc2cc(C)c(N3CC(C)OC(C)C3)cn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
4325987 | 53063 | 13 | None | 2 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 512 | 3 | 3 | 8 | 6.4 | Cc1nn(-c2ccccc2)c2c1C(c1ccc(O)c(O)c1)N1C(=N2)C(Nc2ccccc2)=Nc2ccccc21 | nan | ||
CHEMBL1535539 | 53063 | 13 | None | 2 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 512 | 3 | 3 | 8 | 6.4 | Cc1nn(-c2ccccc2)c2c1C(c1ccc(O)c(O)c1)N1C(=N2)C(Nc2ccccc2)=Nc2ccccc21 | nan | ||
663168 | 28890 | 9 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 302 | 2 | 0 | 6 | 3.3 | COc1cccc(-c2nnc3n2N=C(C(C)(C)C)CS3)c1 | nan | ||
CHEMBL1322078 | 28890 | 9 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 302 | 2 | 0 | 6 | 3.3 | COc1cccc(-c2nnc3n2N=C(C(C)(C)C)CS3)c1 | nan | ||
5464573 | 20847 | 25 | None | 4 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 327 | 3 | 0 | 1 | 5.0 | CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 | nan | ||
5484463 | 20847 | 25 | None | 4 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 327 | 3 | 0 | 1 | 5.0 | CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 | nan | ||
75463 | 20847 | 25 | None | 4 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 327 | 3 | 0 | 1 | 5.0 | CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 | nan | ||
CHEMBL1197556 | 20847 | 25 | None | 4 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 327 | 3 | 0 | 1 | 5.0 | CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 | nan | ||
CHEMBL576409 | 20847 | 25 | None | 4 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 327 | 3 | 0 | 1 | 5.0 | CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 | nan | ||
CHEMBL5088734 | 221952 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | None | None | None | CCOc1cc2[nH]c(Cc3nn(CC(=O)O)c(=O)c4ccccc34)nc2cc1Cl | 10.1021/acs.jmedchem.1c01066 | ||||
90309119 | 144501 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 552 | 9 | 3 | 6 | 6.5 | COc1cc(Oc2cc(NC(=O)N3CCC(O)(CC(C)C)CC3)cc(Oc3ccc(F)cc3)c2)ccc1C(=O)O | 10.1016/j.bmcl.2016.01.031 | ||
CHEMBL3758974 | 144501 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 552 | 9 | 3 | 6 | 6.5 | COc1cc(Oc2cc(NC(=O)N3CCC(O)(CC(C)C)CC3)cc(Oc3ccc(F)cc3)c2)ccc1C(=O)O | 10.1016/j.bmcl.2016.01.031 | ||
CHEMBL5079608 | 221405 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | None | None | None | O=C(O)Cn1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
164613342 | 191500 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 427 | 4 | 2 | 4 | 4.8 | Cc1cc(CNC(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4850513 | 191500 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 427 | 4 | 2 | 4 | 4.8 | Cc1cc(CNC(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
53388307 | 71929 | 0 | None | -18 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 335 | 3 | 1 | 2 | 5.9 | Cc1ccc(C)c(-c2ccc(C(=O)Nc3c(C)cccc3C)s2)c1 | 10.1016/j.bmcl.2011.06.132 | ||
CHEMBL1824254 | 71929 | 0 | None | -18 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 335 | 3 | 1 | 2 | 5.9 | Cc1ccc(C)c(-c2ccc(C(=O)Nc3c(C)cccc3C)s2)c1 | 10.1016/j.bmcl.2011.06.132 | ||
122190861 | 130340 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 387 | 5 | 2 | 3 | 4.9 | CCC(CC)CC1(O)CCN(c2nc3c(F)cc(C(F)(F)F)cc3[nH]2)CC1 | 10.1016/j.bmcl.2015.09.022 | ||
CHEMBL3618191 | 130340 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 387 | 5 | 2 | 3 | 4.9 | CCC(CC)CC1(O)CCN(c2nc3c(F)cc(C(F)(F)F)cc3[nH]2)CC1 | 10.1016/j.bmcl.2015.09.022 | ||
44437418 | 21601 | 0 | None | -87 | 4 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 612 | 17 | 3 | 7 | 6.9 | CCCCOc1ccc(Sc2ccc(-c3ccccc3C(O)C#CCOCCCCCCCO)cc2S(=O)(=O)O)cc1 | 10.1016/j.bmc.2007.02.048 | ||
CHEMBL1207343 | 21601 | 0 | None | -87 | 4 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 612 | 17 | 3 | 7 | 6.9 | CCCCOc1ccc(Sc2ccc(-c3ccccc3C(O)C#CCOCCCCCCCO)cc2S(=O)(=O)O)cc1 | 10.1016/j.bmc.2007.02.048 | ||
CHEMBL397081 | 21601 | 0 | None | -87 | 4 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 612 | 17 | 3 | 7 | 6.9 | CCCCOc1ccc(Sc2ccc(-c3ccccc3C(O)C#CCOCCCCCCCO)cc2S(=O)(=O)O)cc1 | 10.1016/j.bmc.2007.02.048 | ||
164609247 | 191169 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 468 | 6 | 2 | 6 | 4.6 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)cn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4845783 | 191169 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 468 | 6 | 2 | 6 | 4.6 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)cn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
137377721 | 192133 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 460 | 6 | 2 | 8 | 3.2 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C#N)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4860157 | 192133 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 460 | 6 | 2 | 8 | 3.2 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C#N)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL5088495 | 221943 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | None | None | None | CCOc1cc2nn(Cc3nn(CC(=O)O)c(=O)c4ccccc34)cc2cc1Cl | 10.1021/acs.jmedchem.1c01066 | ||||
CHEMBL5088730 | 221951 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | None | None | None | CCOc1cc2cn(Cc3nn(CC(=O)O)c(=O)c4ccccc34)nc2cc1Cl | 10.1021/acs.jmedchem.1c01066 | ||||
5740802 | 60838 | 6 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 310 | 3 | 0 | 3 | 4.9 | N#C/C(=C/c1ccc(N2CCCCCC2)o1)c1ccc(F)cc1 | nan | ||
CHEMBL1606330 | 60838 | 6 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 310 | 3 | 0 | 3 | 4.9 | N#C/C(=C/c1ccc(N2CCCCCC2)o1)c1ccc(F)cc1 | nan | ||
CHEMBL5090411 | 222040 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | None | None | None | COc1ccc(Cl)cc1NC(=O)Cc1nn(CC(=O)O)c(=O)c2ccccc12 | 10.1021/acs.jmedchem.1c01066 | ||||
71547628 | 144410 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 550 | 10 | 3 | 5 | 7.3 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)O)cc3)c2)CC1 | 10.1016/j.bmcl.2016.01.031 | ||
CHEMBL3758214 | 144410 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 550 | 10 | 3 | 5 | 7.3 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)O)cc3)c2)CC1 | 10.1016/j.bmcl.2016.01.031 | ||
CHEMBL5091947 | 222114 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | None | None | None | O=C(O)Cn1nc(Cc2nc3cc(Cl)c(OCC(F)F)cc3[nH]2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
23072144 | 124277 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 410 | 7 | 2 | 3 | 6.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccc(C)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
CHEMBL3400191 | 124277 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 410 | 7 | 2 | 3 | 6.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccc(C)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
23072092 | 124279 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 410 | 7 | 2 | 3 | 6.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccccc3C)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
CHEMBL3400193 | 124279 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 410 | 7 | 2 | 3 | 6.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccccc3C)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
23071856 | 124461 | 0 | None | -44 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 414 | 7 | 2 | 3 | 5.8 | CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccc(F)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
CHEMBL3401375 | 124461 | 0 | None | -44 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 414 | 7 | 2 | 3 | 5.8 | CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccc(F)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
23071856 | 124461 | 0 | None | -44 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 414 | 7 | 2 | 3 | 5.8 | CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccc(F)cc3)c2)CC1 | nan | ||
CHEMBL3401375 | 124461 | 0 | None | -44 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 414 | 7 | 2 | 3 | 5.8 | CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccc(F)cc3)c2)CC1 | nan | ||
1941609 | 31166 | 34 | None | -3 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 440 | 1 | 1 | 6 | 2.7 | Cn1c2c(c(=O)n(C)c1=O)C(C(F)(F)F)(C(F)(F)F)NC(c1ccc(Cl)cc1)=N2 | nan | ||
CHEMBL1341270 | 31166 | 34 | None | -3 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 440 | 1 | 1 | 6 | 2.7 | Cn1c2c(c(=O)n(C)c1=O)C(C(F)(F)F)(C(F)(F)F)NC(c1ccc(Cl)cc1)=N2 | nan | ||
164621933 | 192756 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 463 | 7 | 3 | 7 | 4.3 | CCOc1cc(NC(=O)NCc2cc(C)c(Nc3cn(C)nc3C)cn2)cc(C(F)(F)F)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4869752 | 192756 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 463 | 7 | 3 | 7 | 4.3 | CCOc1cc(NC(=O)NCc2cc(C)c(Nc3cn(C)nc3C)cn2)cc(C(F)(F)F)n1 | 10.1021/acs.jmedchem.1c00138 | ||
122190864 | 130345 | 0 | None | -8 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 517 | 6 | 2 | 5 | 6.5 | O=C(Nc1cc(Oc2ccncc2)cc(Oc2ccc(F)cc2)c1)N1CCC(O)(c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2015.09.022 | ||
CHEMBL3618198 | 130345 | 0 | None | -8 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 517 | 6 | 2 | 5 | 6.5 | O=C(Nc1cc(Oc2ccncc2)cc(Oc2ccc(F)cc2)c1)N1CCC(O)(c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2015.09.022 | ||
9550933 | 56140 | 6 | None | 138 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 257 | 8 | 1 | 3 | 4.4 | CCCCCCCCNc1ncnc2ccccc12 | nan | ||
CHEMBL1563943 | 56140 | 6 | None | 138 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 257 | 8 | 1 | 3 | 4.4 | CCCCCCCCNc1ncnc2ccccc12 | nan | ||
5863319 | 50299 | 16 | None | 3 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 462 | 5 | 0 | 4 | 7.4 | COc1ccc(-c2c(Sc3cccc(C(F)(F)F)c3)c3ccc(OC)cc3[s+]2[O-])cc1 | nan | ||
CHEMBL1508593 | 50299 | 16 | None | 3 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 462 | 5 | 0 | 4 | 7.4 | COc1ccc(-c2c(Sc3cccc(C(F)(F)F)c3)c3ccc(OC)cc3[s+]2[O-])cc1 | nan | ||
659822 | 61007 | 9 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 390 | 3 | 2 | 4 | 4.0 | CCC(NC(=O)Nc1nnc(C(F)(F)F)s1)(C(F)(F)F)C(F)(F)F | nan | ||
CHEMBL1607568 | 61007 | 9 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 390 | 3 | 2 | 4 | 4.0 | CCC(NC(=O)Nc1nnc(C(F)(F)F)s1)(C(F)(F)F)C(F)(F)F | nan | ||
460747 | 207722 | 38 | None | 1 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 207 | 0 | 0 | 7 | -1.3 | Cc1nc2c(=O)n(C)c(=O)nc-2n(C)n1 | nan | ||
CHEMBL601757 | 207722 | 38 | None | 1 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 207 | 0 | 0 | 7 | -1.3 | Cc1nc2c(=O)n(C)c(=O)nc-2n(C)n1 | nan | ||
1472216 | 57387 | 12 | None | 1 | 4 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 384 | 6 | 1 | 4 | 3.6 | COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccccc2)cn1 | nan | ||
CHEMBL1574879 | 57387 | 12 | None | 1 | 4 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 384 | 6 | 1 | 4 | 3.6 | COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccccc2)cn1 | nan | ||
90309206 | 130343 | 0 | None | 6 | 2 | Rat | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 575 | 7 | 3 | 5 | 6.7 | NC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1016/j.bmcl.2015.09.022 | ||
CHEMBL3618196 | 130343 | 0 | None | 6 | 2 | Rat | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 575 | 7 | 3 | 5 | 6.7 | NC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1016/j.bmcl.2015.09.022 | ||
164622072 | 193016 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 405 | 4 | 3 | 4 | 5.0 | Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc(-c2ccc(F)cc2)c1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4873481 | 193016 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 405 | 4 | 3 | 4 | 5.0 | Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc(-c2ccc(F)cc2)c1 | 10.1021/acs.jmedchem.1c00138 | ||
118727601 | 124278 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 410 | 7 | 2 | 3 | 6.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3cccc(C)c3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
CHEMBL3400192 | 124278 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 410 | 7 | 2 | 3 | 6.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3cccc(C)c3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
44607582 | 42041 | 0 | None | -45 | 3 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 437 | 4 | 1 | 4 | 5.5 | Cc1ccc(S(C)(=O)=O)c(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 | nan | ||
CHEMBL1436066 | 42041 | 0 | None | -45 | 3 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 437 | 4 | 1 | 4 | 5.5 | Cc1ccc(S(C)(=O)=O)c(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 | nan | ||
1472003 | 51245 | 16 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 352 | 2 | 1 | 5 | 4.8 | FC(F)(F)c1cnc2c(-c3cccs3)c(-c3nc[nH]n3)sc2c1 | nan | ||
CHEMBL1519087 | 51245 | 16 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 352 | 2 | 1 | 5 | 4.8 | FC(F)(F)c1cnc2c(-c3cccs3)c(-c3nc[nH]n3)sc2c1 | nan | ||
122190864 | 130345 | 0 | None | 8 | 2 | Rat | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 517 | 6 | 2 | 5 | 6.5 | O=C(Nc1cc(Oc2ccncc2)cc(Oc2ccc(F)cc2)c1)N1CCC(O)(c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2015.09.022 | ||
CHEMBL3618198 | 130345 | 0 | None | 8 | 2 | Rat | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 517 | 6 | 2 | 5 | 6.5 | O=C(Nc1cc(Oc2ccncc2)cc(Oc2ccc(F)cc2)c1)N1CCC(O)(c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2015.09.022 | ||
118728427 | 124464 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 458 | 9 | 2 | 4 | 6.2 | CCOc1cc(NC(=O)N2CCC(O)(CC(CC)CC)CC2)cc(Oc2ccc(F)cc2)c1 | 10.1016/j.bmcl.2015.02.029 | ||
CHEMBL3401378 | 124464 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 458 | 9 | 2 | 4 | 6.2 | CCOc1cc(NC(=O)N2CCC(O)(CC(CC)CC)CC2)cc(Oc2ccc(F)cc2)c1 | 10.1016/j.bmcl.2015.02.029 | ||
460747 | 207722 | 38 | None | 1 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 207 | 0 | 0 | 7 | -1.3 | Cc1nc2c(=O)n(C)c(=O)nc-2n(C)n1 | nan | ||
CHEMBL601757 | 207722 | 38 | None | 1 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 207 | 0 | 0 | 7 | -1.3 | Cc1nc2c(=O)n(C)c(=O)nc-2n(C)n1 | nan | ||
663146 | 48852 | 8 | None | 5 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 417 | 4 | 1 | 7 | 3.2 | COc1ccc2c(c1)[nH]c1c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc12 | nan | ||
CHEMBL1496004 | 48852 | 8 | None | 5 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 417 | 4 | 1 | 7 | 3.2 | COc1ccc2c(c1)[nH]c1c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc12 | nan | ||
1363299 | 39717 | 10 | None | -54 | 5 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 359 | 3 | 1 | 2 | 6.1 | Cc1cccc(C)c1NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 | nan | ||
CHEMBL1415555 | 39717 | 10 | None | -54 | 5 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 359 | 3 | 1 | 2 | 6.1 | Cc1cccc(C)c1NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 | nan | ||
1475337 | 27503 | 12 | None | 1 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 414 | 6 | 1 | 5 | 3.6 | COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccc(C)cc2)cn1 | nan | ||
CHEMBL1309232 | 27503 | 12 | None | 1 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 414 | 6 | 1 | 5 | 3.6 | COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccc(C)cc2)cn1 | nan | ||
1475337 | 27503 | 12 | None | 1 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 414 | 6 | 1 | 5 | 3.6 | COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccc(C)cc2)cn1 | nan | ||
CHEMBL1309232 | 27503 | 12 | None | 1 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 414 | 6 | 1 | 5 | 3.6 | COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccc(C)cc2)cn1 | nan | ||
2319091 | 62780 | 2 | None | 3 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 466 | 2 | 0 | 2 | 6.1 | Cc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2CCc2ccc4cccnc4c2-3)cc1 | nan | ||
CHEMBL1546374 | 62780 | 2 | None | 3 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 466 | 2 | 0 | 2 | 6.1 | Cc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2CCc2ccc4cccnc4c2-3)cc1 | nan | ||
CHEMBL1624511 | 62780 | 2 | None | 3 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 466 | 2 | 0 | 2 | 6.1 | Cc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2CCc2ccc4cccnc4c2-3)cc1 | nan | ||
11958855 | 37344 | 13 | None | 3 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 388 | 3 | 2 | 5 | 4.1 | Nc1nc(Cl)cc(N2CCC(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)n1 | nan | ||
CHEMBL1393625 | 37344 | 13 | None | 3 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 388 | 3 | 2 | 5 | 4.1 | Nc1nc(Cl)cc(N2CCC(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)n1 | nan | ||
CHEMBL5088730 | 221951 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CCOc1cc2cn(Cc3nn(CC(=O)O)c(=O)c4ccccc34)nc2cc1Cl | 10.1021/acs.jmedchem.1c01066 | ||||
CHEMBL5076031 | 221188 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
CHEMBL5079623 | 221407 | 5 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | None | None | None | C[C@H](C(=O)O)n1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
CHEMBL5091947 | 222114 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | None | None | None | O=C(O)Cn1nc(Cc2nc3cc(Cl)c(OCC(F)F)cc3[nH]2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
137377828 | 192057 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | CCOc1nc(Cl)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4858923 | 192057 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | CCOc1nc(Cl)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C | 10.1021/acs.jmedchem.1c00138 | ||
137377828 | 192057 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | CCOc1nc(Cl)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4858923 | 192057 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | CCOc1nc(Cl)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C | 10.1021/acs.jmedchem.1c00138 | ||
118728430 | 124470 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 549 | 10 | 3 | 5 | 6.7 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3cccc(C(N)=O)c3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
CHEMBL3401384 | 124470 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 549 | 10 | 3 | 5 | 6.7 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3cccc(C(N)=O)c3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
118728424 | 124460 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 410 | 7 | 2 | 3 | 6.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2ccc(C)c(Oc3ccccc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
CHEMBL3401374 | 124460 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 410 | 7 | 2 | 3 | 6.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2ccc(C)c(Oc3ccccc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
1472218 | 34386 | 13 | None | 1 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 400 | 6 | 1 | 5 | 3.3 | COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccccc2)cn1 | nan | ||
CHEMBL1369655 | 34386 | 13 | None | 1 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 400 | 6 | 1 | 5 | 3.3 | COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccccc2)cn1 | nan | ||
CHEMBL5082556 | 221589 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | None | None | None | C[C@H](C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
CHEMBL5094625 | 222283 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | None | None | None | O=C(O)C1(c2nn(Cc3cn4cc(OCC5CC5)c(Cl)cc4n3)c3ccccc3c2=O)CC1 | 10.1021/acs.jmedchem.1c01066 | ||||
137377763 | 191730 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 463 | 6 | 2 | 7 | 3.9 | CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4853790 | 191730 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 463 | 6 | 2 | 7 | 3.9 | CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C | 10.1021/acs.jmedchem.1c00138 | ||
137377763 | 191730 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 463 | 6 | 2 | 7 | 3.9 | CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4853790 | 191730 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 463 | 6 | 2 | 7 | 3.9 | CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C | 10.1021/acs.jmedchem.1c00138 | ||
164623189 | 192407 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 403 | 4 | 2 | 4 | 4.7 | Cc1cc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4864274 | 192407 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 403 | 4 | 2 | 4 | 4.7 | Cc1cc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
137377728 | 192562 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 533 | 7 | 3 | 8 | 3.6 | Cc1cc(CNC(=O)Nc2cc(C(F)(F)F)nc(OCCO)c2C)nnc1-c1cn(C)nc1C(F)(F)F | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4866666 | 192562 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 533 | 7 | 3 | 8 | 3.6 | Cc1cc(CNC(=O)Nc2cc(C(F)(F)F)nc(OCCO)c2C)nnc1-c1cn(C)nc1C(F)(F)F | 10.1021/acs.jmedchem.1c00138 | ||
23071977 | 130337 | 0 | None | -21 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 390 | 5 | 2 | 2 | 5.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(F)cc(C(F)(F)F)c2)CC1 | 10.1016/j.bmcl.2015.09.022 | ||
CHEMBL3618189 | 130337 | 0 | None | -21 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 390 | 5 | 2 | 2 | 5.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(F)cc(C(F)(F)F)c2)CC1 | 10.1016/j.bmcl.2015.09.022 | ||
91826297 | 139915 | 0 | None | -21 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 482 | 7 | 2 | 3 | 6.8 | CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3cc(F)cc(C(F)(F)F)c3)c2)CC1 | nan | ||
CHEMBL3703204 | 139915 | 0 | None | -21 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 482 | 7 | 2 | 3 | 6.8 | CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3cc(F)cc(C(F)(F)F)c3)c2)CC1 | nan | ||
164609902 | 192035 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 433 | 6 | 2 | 6 | 3.8 | CCOc1cc(NC(=O)NCc2cc(C)c(N3CC(C)OC(C)C3)cn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4858509 | 192035 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 433 | 6 | 2 | 6 | 3.8 | CCOc1cc(NC(=O)NCc2cc(C)c(N3CC(C)OC(C)C3)cn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL5088730 | 221951 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | None | None | None | CCOc1cc2cn(Cc3nn(CC(=O)O)c(=O)c4ccccc34)nc2cc1Cl | 10.1021/acs.jmedchem.1c01066 | ||||
1475343 | 41695 | 14 | None | -2 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 430 | 7 | 1 | 6 | 3.3 | COc1ccc(CS(=O)(=O)/C(Cl)=C(/Cl)C(=O)Nc2ccc(OC)nc2)cc1 | nan | ||
CHEMBL1432251 | 41695 | 14 | None | -2 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 430 | 7 | 1 | 6 | 3.3 | COc1ccc(CS(=O)(=O)/C(Cl)=C(/Cl)C(=O)Nc2ccc(OC)nc2)cc1 | nan | ||
137377728 | 192562 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 533 | 7 | 3 | 8 | 3.6 | Cc1cc(CNC(=O)Nc2cc(C(F)(F)F)nc(OCCO)c2C)nnc1-c1cn(C)nc1C(F)(F)F | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4866666 | 192562 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 533 | 7 | 3 | 8 | 3.6 | Cc1cc(CNC(=O)Nc2cc(C(F)(F)F)nc(OCCO)c2C)nnc1-c1cn(C)nc1C(F)(F)F | 10.1021/acs.jmedchem.1c00138 | ||
44607573 | 50871 | 0 | None | -54 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 327 | 3 | 1 | 2 | 5.1 | Cc1cccc(C)c1NC(=O)c1ccc(-c2cc(F)ccc2F)o1 | nan | ||
CHEMBL1514981 | 50871 | 0 | None | -54 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 327 | 3 | 1 | 2 | 5.1 | Cc1cccc(C)c1NC(=O)c1ccc(-c2cc(F)ccc2F)o1 | nan | ||
10223146 | 8936 | 60 | None | -1 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 407 | 4 | 3 | 6 | 4.3 | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C | 10.1021/acs.jmedchem.1c01066 | ||
2917 | 8936 | 60 | None | -1 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 407 | 4 | 3 | 6 | 4.3 | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C | 10.1021/acs.jmedchem.1c01066 | ||
CHEMBL1368758 | 8936 | 60 | None | -1 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 407 | 4 | 3 | 6 | 4.3 | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C | 10.1021/acs.jmedchem.1c01066 | ||
90309435 | 144481 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 576 | 8 | 3 | 5 | 7.3 | CC(C)(C(=O)O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(C4CCCCC4)C3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1016/j.bmcl.2016.01.031 | ||
CHEMBL3758803 | 144481 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 576 | 8 | 3 | 5 | 7.3 | CC(C)(C(=O)O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(C4CCCCC4)C3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1016/j.bmcl.2016.01.031 | ||
90309191 | 144596 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 540 | 8 | 3 | 5 | 6.7 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)O)cc3F)c2)CC1 | 10.1016/j.bmcl.2016.01.031 | ||
CHEMBL3759799 | 144596 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 540 | 8 | 3 | 5 | 6.7 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)O)cc3F)c2)CC1 | 10.1016/j.bmcl.2016.01.031 | ||
CHEMBL5088734 | 221952 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CCOc1cc2[nH]c(Cc3nn(CC(=O)O)c(=O)c4ccccc34)nc2cc1Cl | 10.1021/acs.jmedchem.1c01066 | ||||
90309056 | 130344 | 0 | None | 4 | 2 | Rat | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 559 | 7 | 3 | 5 | 6.2 | NC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1016/j.bmcl.2015.09.022 | ||
CHEMBL3618197 | 130344 | 0 | None | 4 | 2 | Rat | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 559 | 7 | 3 | 5 | 6.2 | NC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1016/j.bmcl.2015.09.022 | ||
137377731 | 193287 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 474 | 6 | 2 | 8 | 3.5 | CCOc1nc(C#N)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4877484 | 193287 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 474 | 6 | 2 | 8 | 3.5 | CCOc1nc(C#N)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C | 10.1021/acs.jmedchem.1c00138 | ||
662276 | 40516 | 12 | None | 4 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 343 | 5 | 1 | 7 | 3.2 | CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NC1CCCCC1 | nan | ||
CHEMBL1422386 | 40516 | 12 | None | 4 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 343 | 5 | 1 | 7 | 3.2 | CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NC1CCCCC1 | nan | ||
1472218 | 34386 | 13 | None | 1 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 400 | 6 | 1 | 5 | 3.3 | COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccccc2)cn1 | nan | ||
CHEMBL1369655 | 34386 | 13 | None | 1 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 400 | 6 | 1 | 5 | 3.3 | COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccccc2)cn1 | nan | ||
CHEMBL5088715 | 221950 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | None | None | None | COc1cc(OC)c(NC(=O)Cc2cn(CC(=O)O)c3ccccc23)cc1Cl | 10.1021/acs.jmedchem.1c01066 | ||||
CHEMBL5077930 | 221302 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | None | None | None | O=C(O)Cn1nc(Cc2nc3cc(F)c(OCC4CC4)cc3[nH]2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
CHEMBL5077930 | 221302 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | None | None | None | O=C(O)Cn1nc(Cc2nc3cc(F)c(OCC4CC4)cc3[nH]2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
649706 | 27266 | 2 | None | -3 | 5 | Human | 5.7 | pIC50 | = | 5.7 | 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 | -3 | 5 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 420 | 5 | 0 | 7 | 4.3 | CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nnc(Cn2nnc3ccccc32)s1 | nan | ||
658731 | 37362 | 8 | None | 3 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 280 | 1 | 1 | 3 | 3.8 | Cc1ccc2[nH]c3c(N4CCCCCC4)ncnc3c2c1 | nan | ||
CHEMBL1393783 | 37362 | 8 | None | 3 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 280 | 1 | 1 | 3 | 3.8 | Cc1ccc2[nH]c3c(N4CCCCCC4)ncnc3c2c1 | nan | ||
6897238 | 74050 | 4 | None | 3 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 448 | 5 | 1 | 5 | 5.0 | Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(Br)o2)cc1 | nan | ||
CHEMBL1881714 | 74050 | 4 | None | 3 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 448 | 5 | 1 | 5 | 5.0 | Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(Br)o2)cc1 | nan | ||
CHEMBL5084509 | 221700 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | None | None | None | C[C@@H](C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
1475343 | 41695 | 14 | None | -2 | 4 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 430 | 7 | 1 | 6 | 3.3 | COc1ccc(CS(=O)(=O)/C(Cl)=C(/Cl)C(=O)Nc2ccc(OC)nc2)cc1 | nan | ||
CHEMBL1432251 | 41695 | 14 | None | -2 | 4 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 430 | 7 | 1 | 6 | 3.3 | COc1ccc(CS(=O)(=O)/C(Cl)=C(/Cl)C(=O)Nc2ccc(OC)nc2)cc1 | nan | ||
1480237 | 28425 | 16 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 443 | 5 | 1 | 4 | 5.1 | O=C(Nc1ccc(F)cc1)c1sccc1S(=O)(=O)Cc1cccc(C(F)(F)F)c1 | nan | ||
CHEMBL1317987 | 28425 | 16 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 443 | 5 | 1 | 4 | 5.1 | O=C(Nc1ccc(F)cc1)c1sccc1S(=O)(=O)Cc1cccc(C(F)(F)F)c1 | nan | ||
CHEMBL5076177 | 221197 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | None | None | None | COc1cc(OC)c(NC(=O)Cc2nn(CC(=O)O)c(=O)c3ccccc23)cc1Cl | 10.1021/acs.jmedchem.1c01066 | ||||
CHEMBL5082556 | 221589 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | None | None | None | C[C@H](C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
CHEMBL5071275 | 221034 | 6 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | None | None | None | COc1cc(OC)c(NC(=O)Cc2cn(C)c3ccccc23)cc1Cl | 10.1021/acs.jmedchem.1c01066 | ||||
5286934 | 56075 | 8 | None | -2 | 5 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 294 | 9 | 0 | 4 | 2.4 | CCCCS(=O)(=O)/C=C\C=C/S(=O)(=O)CCCC | nan | ||
CHEMBL1563483 | 56075 | 8 | None | -2 | 5 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 294 | 9 | 0 | 4 | 2.4 | CCCCS(=O)(=O)/C=C\C=C/S(=O)(=O)CCCC | nan | ||
CHEMBL5079623 | 221407 | 5 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | None | None | None | C[C@H](C(=O)O)n1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
CHEMBL5080142 | 221445 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CCn1nc(CC(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
CHEMBL5082556 | 221589 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | None | None | None | C[C@H](C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
164616041 | 192152 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 383 | 5 | 3 | 6 | 3.4 | CCOC(=O)c1cc(C)cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4860509 | 192152 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 383 | 5 | 3 | 6 | 3.4 | CCOC(=O)c1cc(C)cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)n1 | 10.1021/acs.jmedchem.1c00138 | ||
164625126 | 192646 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 411 | 6 | 2 | 7 | 4.0 | CCOc1nc(Cl)cc2nc(NCc3cc(C)c(-c4cn(C)nc4C)cn3)[nH]c12 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4868016 | 192646 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 411 | 6 | 2 | 7 | 4.0 | CCOc1nc(Cl)cc2nc(NCc3cc(C)c(-c4cn(C)nc4C)cn3)[nH]c12 | 10.1021/acs.jmedchem.1c00138 | ||
164625126 | 192646 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 411 | 6 | 2 | 7 | 4.0 | CCOc1nc(Cl)cc2nc(NCc3cc(C)c(-c4cn(C)nc4C)cn3)[nH]c12 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4868016 | 192646 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 411 | 6 | 2 | 7 | 4.0 | CCOc1nc(Cl)cc2nc(NCc3cc(C)c(-c4cn(C)nc4C)cn3)[nH]c12 | 10.1021/acs.jmedchem.1c00138 | ||
71547556 | 139914 | 0 | None | 1 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 564 | 9 | 3 | 5 | 7.2 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)CC1 | 10.1016/j.bmcl.2016.01.031 | ||
CHEMBL3703203 | 139914 | 0 | None | 1 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 564 | 9 | 3 | 5 | 7.2 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)CC1 | 10.1016/j.bmcl.2016.01.031 | ||
71547556 | 139914 | 0 | None | 1 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 564 | 9 | 3 | 5 | 7.2 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)CC1 | nan | ||
CHEMBL3703203 | 139914 | 0 | None | 1 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 564 | 9 | 3 | 5 | 7.2 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)CC1 | nan | ||
71547556 | 139914 | 0 | None | -1 | 2 | Rat | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 564 | 9 | 3 | 5 | 7.2 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)CC1 | nan | ||
CHEMBL3703203 | 139914 | 0 | None | -1 | 2 | Rat | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 564 | 9 | 3 | 5 | 7.2 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)CC1 | nan | ||
90309065 | 144567 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 540 | 8 | 3 | 5 | 6.7 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(C(=O)O)cc3)cc(Oc3ccc(F)cc3F)c2)CC1 | 10.1016/j.bmcl.2016.01.031 | ||
CHEMBL3759551 | 144567 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 540 | 8 | 3 | 5 | 6.7 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(C(=O)O)cc3)cc(Oc3ccc(F)cc3F)c2)CC1 | 10.1016/j.bmcl.2016.01.031 | ||
10223146 | 8936 | 60 | None | -1 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 407 | 4 | 3 | 6 | 4.3 | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C | 10.1021/acs.jmedchem.8b00294 | ||
2917 | 8936 | 60 | None | -1 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 407 | 4 | 3 | 6 | 4.3 | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C | 10.1021/acs.jmedchem.8b00294 | ||
CHEMBL1368758 | 8936 | 60 | None | -1 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 407 | 4 | 3 | 6 | 4.3 | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C | 10.1021/acs.jmedchem.8b00294 | ||
CHEMBL5078844 | 221368 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | None | None | None | O=C(O)Cc1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
10223146 | 8936 | 60 | None | 1 | 2 | Rat | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 407 | 4 | 3 | 6 | 4.3 | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C | 10.1021/acs.jmedchem.8b00294 | ||
2917 | 8936 | 60 | None | 1 | 2 | Rat | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 407 | 4 | 3 | 6 | 4.3 | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C | 10.1021/acs.jmedchem.8b00294 | ||
CHEMBL1368758 | 8936 | 60 | None | 1 | 2 | Rat | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 407 | 4 | 3 | 6 | 4.3 | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C | 10.1021/acs.jmedchem.8b00294 | ||
137377865 | 192861 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 469 | 6 | 2 | 7 | 4.0 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4871481 | 192861 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 469 | 6 | 2 | 7 | 4.0 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
137377865 | 192861 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 469 | 6 | 2 | 7 | 4.0 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4871481 | 192861 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 469 | 6 | 2 | 7 | 4.0 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
2765371 | 43303 | 15 | None | 5 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 422 | 3 | 1 | 4 | 6.4 | O=C(Nc1ccc(F)cc1)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1 | nan | ||
CHEMBL1447924 | 43303 | 15 | None | 5 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 422 | 3 | 1 | 4 | 6.4 | O=C(Nc1ccc(F)cc1)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1 | nan | ||
44607576 | 54882 | 0 | None | -50 | 3 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 391 | 5 | 1 | 4 | 5.5 | COc1cccc(OC)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 | nan | ||
CHEMBL1550998 | 54882 | 0 | None | -50 | 3 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 391 | 5 | 1 | 4 | 5.5 | COc1cccc(OC)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 | nan | ||
90309098 | 144559 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 536 | 9 | 3 | 5 | 6.4 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(CC(=O)O)cc3)c2)CC1 | 10.1016/j.bmcl.2016.01.031 | ||
CHEMBL3759492 | 144559 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 536 | 9 | 3 | 5 | 6.4 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(CC(=O)O)cc3)c2)CC1 | 10.1016/j.bmcl.2016.01.031 | ||
CHEMBL5093130 | 222188 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | None | None | None | CC(C)(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
90308914 | 124468 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 585 | 10 | 3 | 6 | 6.2 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(S(N)(=O)=O)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
CHEMBL3401382 | 124468 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 585 | 10 | 3 | 6 | 6.2 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(S(N)(=O)=O)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
118728433 | 124475 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 507 | 9 | 2 | 5 | 7.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3cccnc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
CHEMBL3401389 | 124475 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 507 | 9 | 2 | 5 | 7.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3cccnc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
118727602 | 124280 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 410 | 7 | 2 | 3 | 6.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccccc3)c2C)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
CHEMBL3400194 | 124280 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 410 | 7 | 2 | 3 | 6.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccccc3)c2C)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
CHEMBL5081161 | 221509 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | None | None | None | COC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
CHEMBL5074979 | 221126 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | None | None | None | O=C(Cc1nn(C2CC2)c(=O)c2ccccc12)Nc1ccc(OC(F)(F)F)c(Cl)c1 | 10.1021/acs.jmedchem.1c01066 | ||||
CHEMBL5091304 | 222082 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | None | None | None | CCOc1cc2[nH]c(Cc3nn(CC(=O)N4CCOCC4)c(=O)c4ccccc34)nc2cc1Cl | 10.1021/acs.jmedchem.1c01066 | ||||
164609247 | 191169 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 468 | 6 | 2 | 6 | 4.6 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)cn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4845783 | 191169 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 468 | 6 | 2 | 6 | 4.6 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)cn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
164609247 | 191169 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 468 | 6 | 2 | 6 | 4.6 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)cn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4845783 | 191169 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 468 | 6 | 2 | 6 | 4.6 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)cn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
23072004 | 124276 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 396 | 7 | 2 | 3 | 5.7 | CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccccc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
CHEMBL3400190 | 124276 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 396 | 7 | 2 | 3 | 5.7 | CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccccc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
979629 | 56297 | 20 | None | 2 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 459 | 6 | 1 | 7 | 3.1 | COc1ccccc1C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 | nan | ||
CHEMBL1565349 | 56297 | 20 | None | 2 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 459 | 6 | 1 | 7 | 3.1 | COc1ccccc1C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 | nan | ||
1211724 | 39907 | 20 | None | 1 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 251 | 2 | 0 | 3 | 2.8 | O=C(C#Cc1cccc([N+](=O)[O-])c1)c1ccccc1 | nan | ||
CHEMBL1417204 | 39907 | 20 | None | 1 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 251 | 2 | 0 | 3 | 2.8 | O=C(C#Cc1cccc([N+](=O)[O-])c1)c1ccccc1 | nan | ||
CHEMBL5088730 | 221951 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | None | None | None | CCOc1cc2cn(Cc3nn(CC(=O)O)c(=O)c4ccccc34)nc2cc1Cl | 10.1021/acs.jmedchem.1c01066 | ||||
CHEMBL5081161 | 221509 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | None | None | None | COC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
2328694 | 60502 | 3 | None | -15 | 5 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 408 | 6 | 2 | 3 | 5.2 | O=C(Nc1ccccc1)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 | nan | ||
CHEMBL1603615 | 60502 | 3 | None | -15 | 5 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 408 | 6 | 2 | 3 | 5.2 | O=C(Nc1ccccc1)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 | nan | ||
666746 | 26880 | 10 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 382 | 2 | 1 | 6 | 4.8 | Cn1c(-c2c(N)n(C3CCCC3)c3nc4ccccc4nc23)nc2ccccc21 | nan | ||
CHEMBL1304169 | 26880 | 10 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 382 | 2 | 1 | 6 | 4.8 | Cn1c(-c2c(N)n(C3CCCC3)c3nc4ccccc4nc23)nc2ccccc21 | nan | ||
5663704 | 79159 | 6 | None | -1 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 291 | 3 | 0 | 5 | 2.2 | CC1=C/C(=N\OS(=O)(=O)c2ccccc2)C(C)=CC1=O | nan | ||
CHEMBL1986259 | 79159 | 6 | None | -1 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 291 | 3 | 0 | 5 | 2.2 | CC1=C/C(=N\OS(=O)(=O)c2ccccc2)C(C)=CC1=O | nan | ||
CHEMBL5084509 | 221700 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | None | None | None | C[C@@H](C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
137377731 | 193287 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 474 | 6 | 2 | 8 | 3.5 | CCOc1nc(C#N)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4877484 | 193287 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 474 | 6 | 2 | 8 | 3.5 | CCOc1nc(C#N)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C | 10.1021/acs.jmedchem.1c00138 | ||
137377731 | 193287 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 474 | 6 | 2 | 8 | 3.5 | CCOc1nc(C#N)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4877484 | 193287 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 474 | 6 | 2 | 8 | 3.5 | CCOc1nc(C#N)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C | 10.1021/acs.jmedchem.1c00138 | ||
44437393 | 21478 | 0 | None | -54 | 4 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 608 | 17 | 2 | 5 | 9.5 | CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(S(=O)(=O)O)c1 | 10.1016/j.bmc.2007.02.048 | ||
CHEMBL1206181 | 21478 | 0 | None | -54 | 4 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 608 | 17 | 2 | 5 | 9.5 | CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(S(=O)(=O)O)c1 | 10.1016/j.bmc.2007.02.048 | ||
CHEMBL239659 | 21478 | 0 | None | -54 | 4 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 608 | 17 | 2 | 5 | 9.5 | CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(S(=O)(=O)O)c1 | 10.1016/j.bmc.2007.02.048 | ||
CHEMBL5087518 | 221884 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | None | None | None | COc1cc2[nH]c(Cc3nn(CC(=O)O)c(=O)c4ccccc34)nc2cc1Cl | 10.1021/acs.jmedchem.1c01066 | ||||
137377733 | 193385 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 449 | 6 | 2 | 7 | 3.6 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4878889 | 193385 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 449 | 6 | 2 | 7 | 3.6 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C)n1 | 10.1021/acs.jmedchem.1c00138 | ||
137377733 | 193385 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 449 | 6 | 2 | 7 | 3.6 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4878889 | 193385 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 449 | 6 | 2 | 7 | 3.6 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C)n1 | 10.1021/acs.jmedchem.1c00138 | ||
5235407 | 46101 | 11 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 524 | 8 | 1 | 7 | 4.5 | CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1 | nan | ||
CHEMBL1470979 | 46101 | 11 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 524 | 8 | 1 | 7 | 4.5 | CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1 | nan | ||
127027731 | 144425 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 540 | 8 | 3 | 5 | 6.7 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(C(=O)O)cc3)cc(Oc3ccc(F)c(F)c3)c2)CC1 | 10.1016/j.bmcl.2016.01.031 | ||
CHEMBL3758346 | 144425 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 540 | 8 | 3 | 5 | 6.7 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(C(=O)O)cc3)cc(Oc3ccc(F)c(F)c3)c2)CC1 | 10.1016/j.bmcl.2016.01.031 | ||
CHEMBL5073747 | 221083 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | None | None | None | CCC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
CHEMBL5076737 | 221241 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | None | None | None | O=C(O)Cn1nc(Cc2nc3cc(Cl)c(OCC4CC4)cc3[nH]2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
CHEMBL5084509 | 221700 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | None | None | None | C[C@@H](C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
648878 | 56503 | 9 | None | -1 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 329 | 3 | 0 | 3 | 4.1 | CCN(CC)c1ccc2c(Cl)c(Br)c(=O)oc2c1 | nan | ||
CHEMBL1566928 | 56503 | 9 | None | -1 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 329 | 3 | 0 | 3 | 4.1 | CCN(CC)c1ccc2c(Cl)c(Br)c(=O)oc2c1 | nan | ||
1474461 | 54025 | 20 | None | 1 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 332 | 3 | 0 | 5 | 3.0 | O=C(OCn1ncc(Cl)c(Cl)c1=O)c1ccccc1Cl | nan | ||
CHEMBL1543839 | 54025 | 20 | None | 1 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 332 | 3 | 0 | 5 | 3.0 | O=C(OCn1ncc(Cl)c(Cl)c1=O)c1ccccc1Cl | nan | ||
137377874 | 191282 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1Cl | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4847407 | 191282 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1Cl | 10.1021/acs.jmedchem.1c00138 | ||
137377874 | 191282 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1Cl | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4847407 | 191282 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1Cl | 10.1021/acs.jmedchem.1c00138 | ||
118728434 | 124476 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 507 | 9 | 2 | 5 | 7.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccccn3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
CHEMBL3401390 | 124476 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 507 | 9 | 2 | 5 | 7.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccccn3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
164622777 | 192599 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 391 | 4 | 3 | 6 | 3.6 | Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cnn(C)c1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4867313 | 192599 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 391 | 4 | 3 | 6 | 3.6 | Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cnn(C)c1 | 10.1021/acs.jmedchem.1c00138 | ||
1474465 | 31429 | 24 | None | -2 | 5 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 312 | 3 | 0 | 5 | 2.7 | Cc1ccc(C(=O)OCn2ncc(Cl)c(Cl)c2=O)cc1 | nan | ||
CHEMBL1343392 | 31429 | 24 | None | -2 | 5 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 312 | 3 | 0 | 5 | 2.7 | Cc1ccc(C(=O)OCn2ncc(Cl)c(Cl)c2=O)cc1 | nan | ||
5547949 | 115014 | 6 | None | 1 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 291 | 3 | 0 | 5 | 2.2 | CC1=C(C)/C(=N\OS(=O)(=O)c2ccccc2)C=CC1=O | nan | ||
CHEMBL3196976 | 115014 | 6 | None | 1 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 291 | 3 | 0 | 5 | 2.2 | CC1=C(C)/C(=N\OS(=O)(=O)c2ccccc2)C=CC1=O | nan | ||
90309040 | 124472 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 563 | 10 | 3 | 5 | 7.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NC)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
CHEMBL3401386 | 124472 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 563 | 10 | 3 | 5 | 7.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NC)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
23071856 | 124461 | 0 | None | 44 | 2 | Rat | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 414 | 7 | 2 | 3 | 5.8 | CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccc(F)cc3)c2)CC1 | nan | ||
CHEMBL3401375 | 124461 | 0 | None | 44 | 2 | Rat | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 414 | 7 | 2 | 3 | 5.8 | CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccc(F)cc3)c2)CC1 | nan | ||
2765371 | 43303 | 15 | None | 5 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 422 | 3 | 1 | 4 | 6.4 | O=C(Nc1ccc(F)cc1)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1 | nan | ||
CHEMBL1447924 | 43303 | 15 | None | 5 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 422 | 3 | 1 | 4 | 6.4 | O=C(Nc1ccc(F)cc1)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1 | nan | ||
CHEMBL5070413 | 221015 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | None | None | None | O=C(O)Cn1nc(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
3609942 | 53656 | 1 | None | -4 | 4 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 415 | 2 | 0 | 5 | 4.6 | COC(=O)C1CN(C#N)N(c2ccc(Cl)cc2)C12c1ccccc1-c1ccccc12 | nan | ||
CHEMBL1540682 | 53656 | 1 | None | -4 | 4 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 415 | 2 | 0 | 5 | 4.6 | COC(=O)C1CN(C#N)N(c2ccc(Cl)cc2)C12c1ccccc1-c1ccccc12 | nan | ||
CHEMBL5094625 | 222283 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | None | None | None | O=C(O)C1(c2nn(Cc3cn4cc(OCC5CC5)c(Cl)cc4n3)c3ccccc3c2=O)CC1 | 10.1021/acs.jmedchem.1c01066 | ||||
164627170 | 193063 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 428 | 4 | 2 | 5 | 4.2 | Cc1cc(CNC(=O)c2cc3c(Cl)nc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4874151 | 193063 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 428 | 4 | 2 | 5 | 4.2 | Cc1cc(CNC(=O)c2cc3c(Cl)nc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
164628551 | 193322 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 400 | 4 | 2 | 5 | 4.9 | Cc1cc(CNc2nc3cc(Cl)c(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4877932 | 193322 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 400 | 4 | 2 | 5 | 4.9 | Cc1cc(CNc2nc3cc(Cl)c(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
23071887 | 130339 | 0 | None | -4 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 460 | 2 | 2 | 2 | 5.1 | O=C(Nc1cc(F)cc(C(F)(F)F)c1)N1CCC(O)(c2ccc(Br)cc2)CC1 | 10.1016/j.bmcl.2015.09.022 | ||
CHEMBL3618190 | 130339 | 0 | None | -4 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 460 | 2 | 2 | 2 | 5.1 | O=C(Nc1cc(F)cc(C(F)(F)F)c1)N1CCC(O)(c2ccc(Br)cc2)CC1 | 10.1016/j.bmcl.2015.09.022 | ||
90309218 | 144628 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 536 | 8 | 3 | 5 | 6.4 | CC(C)C1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)C1 | 10.1016/j.bmcl.2016.01.031 | ||
CHEMBL3760061 | 144628 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 536 | 8 | 3 | 5 | 6.4 | CC(C)C1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)C1 | 10.1016/j.bmcl.2016.01.031 | ||
137377911 | 192639 | 22 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 503 | 6 | 2 | 7 | 4.3 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C(F)(F)F)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4867946 | 192639 | 22 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 503 | 6 | 2 | 7 | 4.3 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C(F)(F)F)n1 | 10.1021/acs.jmedchem.1c00138 | ||
137377911 | 192639 | 22 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 503 | 6 | 2 | 7 | 4.3 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C(F)(F)F)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4867946 | 192639 | 22 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 503 | 6 | 2 | 7 | 4.3 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C(F)(F)F)n1 | 10.1021/acs.jmedchem.1c00138 | ||
54692915 | 52850 | 9 | None | -9 | 2 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 348 | 3 | 3 | 5 | 2.9 | CCn1c(=O)c(C(=O)Nc2nc3ccccc3[nH]2)c(O)c2ccccc21 | nan | ||
CHEMBL1533366 | 52850 | 9 | None | -9 | 2 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 348 | 3 | 3 | 5 | 2.9 | CCn1c(=O)c(C(=O)Nc2nc3ccccc3[nH]2)c(O)c2ccccc21 | nan | ||
5759185 | 45451 | 5 | None | -4 | 5 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 300 | 4 | 0 | 6 | 2.8 | CC(C)(C)C(=O)/C(=C\c1cccc([N+](=O)[O-])c1)n1cncn1 | nan | ||
CHEMBL1465592 | 45451 | 5 | None | -4 | 5 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 300 | 4 | 0 | 6 | 2.8 | CC(C)(C)C(=O)/C(=C\c1cccc([N+](=O)[O-])c1)n1cncn1 | nan | ||
5654285 | 115227 | 9 | None | 2 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 277 | 3 | 0 | 5 | 1.8 | CC1=C/C(=N\OS(=O)(=O)c2ccccc2)C=CC1=O | nan | ||
CHEMBL3199050 | 115227 | 9 | None | 2 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 277 | 3 | 0 | 5 | 1.8 | CC1=C/C(=N\OS(=O)(=O)c2ccccc2)C=CC1=O | nan | ||
4112227 | 40257 | 10 | None | 2 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 392 | 3 | 0 | 7 | 4.0 | Fc1ccc(-n2nnnc2-c2cnc(-c3cccs3)nc2C(F)(F)F)cc1 | nan | ||
CHEMBL1420175 | 40257 | 10 | None | 2 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 392 | 3 | 0 | 7 | 4.0 | Fc1ccc(-n2nnnc2-c2cnc(-c3cccs3)nc2C(F)(F)F)cc1 | nan | ||
3146467 | 62202 | 6 | None | 7 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 347 | 3 | 0 | 2 | 5.4 | CCN1/C(=C/c2ccc3cccc(C)c3[n+]2CC)Sc2ccccc21 | nan | ||
5767645 | 62202 | 6 | None | 7 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 347 | 3 | 0 | 2 | 5.4 | CCN1/C(=C/c2ccc3cccc(C)c3[n+]2CC)Sc2ccccc21 | nan | ||
5847067 | 62202 | 6 | None | 7 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 347 | 3 | 0 | 2 | 5.4 | CCN1/C(=C/c2ccc3cccc(C)c3[n+]2CC)Sc2ccccc21 | nan | ||
CHEMBL1404792 | 62202 | 6 | None | 7 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 347 | 3 | 0 | 2 | 5.4 | CCN1/C(=C/c2ccc3cccc(C)c3[n+]2CC)Sc2ccccc21 | nan | ||
CHEMBL1619624 | 62202 | 6 | None | 7 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 347 | 3 | 0 | 2 | 5.4 | CCN1/C(=C/c2ccc3cccc(C)c3[n+]2CC)Sc2ccccc21 | nan | ||
1568843 | 62595 | 11 | None | 25 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 314 | 9 | 1 | 2 | 5.1 | CCCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 | nan | ||
CHEMBL1481347 | 62595 | 11 | None | 25 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 314 | 9 | 1 | 2 | 5.1 | CCCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 | nan | ||
CHEMBL1622994 | 62595 | 11 | None | 25 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 314 | 9 | 1 | 2 | 5.1 | CCCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 | nan | ||
2944643 | 40837 | 10 | None | 6 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 425 | 5 | 1 | 4 | 4.8 | CCCC(=O)N1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2Cl)CC1 | nan | ||
CHEMBL1424968 | 40837 | 10 | None | 6 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 425 | 5 | 1 | 4 | 4.8 | CCCC(=O)N1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2Cl)CC1 | nan | ||
89484778 | 139909 | 0 | None | 1 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 590 | 11 | 3 | 5 | 7.7 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C4(C(=O)O)CC4)cc3)c2)CC1 | nan | ||
89484778 | 139909 | 0 | None | -1 | 2 | Rat | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 590 | 11 | 3 | 5 | 7.7 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C4(C(=O)O)CC4)cc3)c2)CC1 | nan | ||
CHEMBL3703198 | 139909 | 0 | None | 1 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 590 | 11 | 3 | 5 | 7.7 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C4(C(=O)O)CC4)cc3)c2)CC1 | nan | ||
CHEMBL3703198 | 139909 | 0 | None | -1 | 2 | Rat | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 590 | 11 | 3 | 5 | 7.7 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C4(C(=O)O)CC4)cc3)c2)CC1 | nan | ||
164628297 | 193321 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 391 | 4 | 3 | 6 | 3.6 | Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc(-c2cnn(C)c2)c1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4877928 | 193321 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 391 | 4 | 3 | 6 | 3.6 | Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc(-c2cnn(C)c2)c1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL5079623 | 221407 | 5 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | None | None | None | C[C@H](C(=O)O)n1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
CHEMBL5082556 | 221589 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | None | None | None | C[C@H](C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
71547555 | 130348 | 1 | None | 15 | 2 | Rat | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 560 | 7 | 3 | 5 | 6.8 | O=C(O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1016/j.bmcl.2015.09.022 | ||
CHEMBL3618201 | 130348 | 1 | None | 15 | 2 | Rat | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 560 | 7 | 3 | 5 | 6.8 | O=C(O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1016/j.bmcl.2015.09.022 | ||
71547555 | 130348 | 1 | None | 15 | 2 | Rat | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 560 | 7 | 3 | 5 | 6.8 | O=C(O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | nan | ||
CHEMBL3618201 | 130348 | 1 | None | 15 | 2 | Rat | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 560 | 7 | 3 | 5 | 6.8 | O=C(O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | nan | ||
CHEMBL5090966 | 222066 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(C(F)(F)F)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
164622777 | 192599 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 391 | 4 | 3 | 6 | 3.6 | Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cnn(C)c1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4867313 | 192599 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 391 | 4 | 3 | 6 | 3.6 | Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cnn(C)c1 | 10.1021/acs.jmedchem.1c00138 | ||
71547630 | 139913 | 0 | None | -3 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 592 | 9 | 3 | 6 | 6.6 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(C(=O)Oc3ccc(C(C)(C)C(=O)O)cc3)c2)CC1 | nan | ||
CHEMBL3703202 | 139913 | 0 | None | -3 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 592 | 9 | 3 | 6 | 6.6 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(C(=O)Oc3ccc(C(C)(C)C(=O)O)cc3)c2)CC1 | nan | ||
CHEMBL5079623 | 221407 | 5 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | None | None | None | C[C@H](C(=O)O)n1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
90308956 | 144507 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 556 | 8 | 3 | 5 | 7.2 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)O)c(Cl)c3)c2)CC1 | 10.1016/j.bmcl.2016.01.031 | ||
CHEMBL3759037 | 144507 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 556 | 8 | 3 | 5 | 7.2 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)O)c(Cl)c3)c2)CC1 | 10.1016/j.bmcl.2016.01.031 | ||
CHEMBL5078844 | 221368 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | None | None | None | O=C(O)Cc1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
CHEMBL5087855 | 221901 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | None | None | None | O=C(Cc1nn(CC(=O)N2CCOCC2)c(=O)c2ccccc12)Nc1ccc(OC(F)(F)F)c(Cl)c1 | 10.1021/acs.jmedchem.1c01066 | ||||
164608769 | 191261 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 404 | 4 | 2 | 5 | 4.1 | Cc1cc(CNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4847056 | 191261 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 404 | 4 | 2 | 5 | 4.1 | Cc1cc(CNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
164609392 | 191242 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 546 | 8 | 2 | 8 | 3.9 | Cc1cc(CNC(=O)Nc2cc(OCCN(C)C)nc(C(F)(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4846795 | 191242 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 546 | 8 | 2 | 8 | 3.9 | Cc1cc(CNC(=O)Nc2cc(OCCN(C)C)nc(C(F)(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F | 10.1021/acs.jmedchem.1c00138 | ||
164613342 | 191500 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 427 | 4 | 2 | 4 | 4.8 | Cc1cc(CNC(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4850513 | 191500 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 427 | 4 | 2 | 4 | 4.8 | Cc1cc(CNC(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL5094625 | 222283 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | None | None | None | O=C(O)C1(c2nn(Cc3cn4cc(OCC5CC5)c(Cl)cc4n3)c3ccccc3c2=O)CC1 | 10.1021/acs.jmedchem.1c01066 | ||||
5389617 | 45440 | 1 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 352 | 6 | 1 | 5 | 1.8 | O=S(=O)(C/C(=C/CO)S(=O)(=O)c1ccccc1)c1ccccc1 | nan | ||
CHEMBL1465527 | 45440 | 1 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 352 | 6 | 1 | 5 | 1.8 | O=S(=O)(C/C(=C/CO)S(=O)(=O)c1ccccc1)c1ccccc1 | nan | ||
1474465 | 31429 | 24 | None | -2 | 5 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 312 | 3 | 0 | 5 | 2.7 | Cc1ccc(C(=O)OCn2ncc(Cl)c(Cl)c2=O)cc1 | nan | ||
CHEMBL1343392 | 31429 | 24 | None | -2 | 5 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 312 | 3 | 0 | 5 | 2.7 | Cc1ccc(C(=O)OCn2ncc(Cl)c(Cl)c2=O)cc1 | nan | ||
CHEMBL5076031 | 221188 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
CHEMBL5074164 | 221092 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | None | None | None | O=C(O)Cn1nc(Cc2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
164621519 | 192764 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 341 | 4 | 4 | 5 | 2.7 | Cc1cc(CO)nc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)c1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4870007 | 192764 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 341 | 4 | 4 | 5 | 2.7 | Cc1cc(CO)nc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)c1 | 10.1021/acs.jmedchem.1c00138 | ||
5464573 | 20847 | 25 | None | 4 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 327 | 3 | 0 | 1 | 5.0 | CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 | nan | ||
5484463 | 20847 | 25 | None | 4 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 327 | 3 | 0 | 1 | 5.0 | CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 | nan | ||
75463 | 20847 | 25 | None | 4 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 327 | 3 | 0 | 1 | 5.0 | CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 | nan | ||
CHEMBL1197556 | 20847 | 25 | None | 4 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 327 | 3 | 0 | 1 | 5.0 | CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 | nan | ||
CHEMBL576409 | 20847 | 25 | None | 4 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 327 | 3 | 0 | 1 | 5.0 | CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 | nan | ||
1474461 | 54025 | 20 | None | 1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 332 | 3 | 0 | 5 | 3.0 | O=C(OCn1ncc(Cl)c(Cl)c1=O)c1ccccc1Cl | nan | ||
CHEMBL1543839 | 54025 | 20 | None | 1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 332 | 3 | 0 | 5 | 3.0 | O=C(OCn1ncc(Cl)c(Cl)c1=O)c1ccccc1Cl | nan | ||
CHEMBL5084509 | 221700 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | None | None | None | C[C@@H](C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
164623189 | 192407 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 403 | 4 | 2 | 4 | 4.7 | Cc1cc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4864274 | 192407 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 403 | 4 | 2 | 4 | 4.7 | Cc1cc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
137377828 | 192057 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | CCOc1nc(Cl)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4858923 | 192057 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | CCOc1nc(Cl)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C | 10.1021/acs.jmedchem.1c00138 | ||
164625126 | 192646 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 411 | 6 | 2 | 7 | 4.0 | CCOc1nc(Cl)cc2nc(NCc3cc(C)c(-c4cn(C)nc4C)cn3)[nH]c12 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4868016 | 192646 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 411 | 6 | 2 | 7 | 4.0 | CCOc1nc(Cl)cc2nc(NCc3cc(C)c(-c4cn(C)nc4C)cn3)[nH]c12 | 10.1021/acs.jmedchem.1c00138 | ||
663168 | 28890 | 9 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 302 | 2 | 0 | 6 | 3.3 | COc1cccc(-c2nnc3n2N=C(C(C)(C)C)CS3)c1 | nan | ||
CHEMBL1322078 | 28890 | 9 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 302 | 2 | 0 | 6 | 3.3 | COc1cccc(-c2nnc3n2N=C(C(C)(C)C)CS3)c1 | nan | ||
1568843 | 62595 | 11 | None | 25 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 314 | 9 | 1 | 2 | 5.1 | CCCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 | nan | ||
CHEMBL1481347 | 62595 | 11 | None | 25 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 314 | 9 | 1 | 2 | 5.1 | CCCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 | nan | ||
CHEMBL1622994 | 62595 | 11 | None | 25 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 314 | 9 | 1 | 2 | 5.1 | CCCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 | nan | ||
597363 | 42509 | 12 | None | 2 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 293 | 3 | 1 | 8 | 1.0 | CC(=O)Nc1cc(OC(C)=O)c2nonc2c1OC(C)=O | nan | ||
CHEMBL1440703 | 42509 | 12 | None | 2 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 293 | 3 | 1 | 8 | 1.0 | CC(=O)Nc1cc(OC(C)=O)c2nonc2c1OC(C)=O | nan | ||
6897238 | 74050 | 4 | None | 3 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 448 | 5 | 1 | 5 | 5.0 | Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(Br)o2)cc1 | nan | ||
CHEMBL1881714 | 74050 | 4 | None | 3 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 448 | 5 | 1 | 5 | 5.0 | Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(Br)o2)cc1 | nan | ||
CHEMBL5094933 | 222301 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | None | None | None | COc1cc(OC)c(NC(=O)Cn2nc(CC(=O)O)c3ccccc32)cc1Cl | 10.1021/acs.jmedchem.1c01066 | ||||
127029521 | 144525 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 540 | 8 | 3 | 5 | 6.7 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)O)c(F)c3)c2)CC1 | 10.1016/j.bmcl.2016.01.031 | ||
CHEMBL3759218 | 144525 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 540 | 8 | 3 | 5 | 6.7 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)O)c(F)c3)c2)CC1 | 10.1016/j.bmcl.2016.01.031 | ||
CHEMBL5074164 | 221092 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | None | None | None | O=C(O)Cn1nc(Cc2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
658731 | 37362 | 8 | None | 3 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 280 | 1 | 1 | 3 | 3.8 | Cc1ccc2[nH]c3c(N4CCCCCC4)ncnc3c2c1 | nan | ||
CHEMBL1393783 | 37362 | 8 | None | 3 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 280 | 1 | 1 | 3 | 3.8 | Cc1ccc2[nH]c3c(N4CCCCCC4)ncnc3c2c1 | nan | ||
2928973 | 52588 | 4 | None | 1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 349 | 2 | 0 | 5 | 4.4 | O=S1(=O)C=C(Sc2nc3cc(Cl)ccc3o2)c2ccccc21 | nan | ||
CHEMBL1531073 | 52588 | 4 | None | 1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 349 | 2 | 0 | 5 | 4.4 | O=S1(=O)C=C(Sc2nc3cc(Cl)ccc3o2)c2ccccc21 | nan | ||
137377721 | 192133 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 460 | 6 | 2 | 8 | 3.2 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C#N)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4860157 | 192133 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 460 | 6 | 2 | 8 | 3.2 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C#N)n1 | 10.1021/acs.jmedchem.1c00138 | ||
137377721 | 192133 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 460 | 6 | 2 | 8 | 3.2 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C#N)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4860157 | 192133 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 460 | 6 | 2 | 8 | 3.2 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C#N)n1 | 10.1021/acs.jmedchem.1c00138 | ||
164608769 | 191261 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 404 | 4 | 2 | 5 | 4.1 | Cc1cc(CNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4847056 | 191261 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 404 | 4 | 2 | 5 | 4.1 | Cc1cc(CNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
137377912 | 192119 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 499 | 8 | 2 | 8 | 3.6 | COCCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4859853 | 192119 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 499 | 8 | 2 | 8 | 3.6 | COCCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
141537981 | 192201 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 505 | 7 | 2 | 7 | 4.2 | Cc1cc(CNC(=O)Nc2cc(Cl)nc(OCC(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4861377 | 192201 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 505 | 7 | 2 | 7 | 4.2 | Cc1cc(CNC(=O)Nc2cc(Cl)nc(OCC(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F | 10.1021/acs.jmedchem.1c00138 | ||
141537981 | 192201 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 505 | 7 | 2 | 7 | 4.2 | Cc1cc(CNC(=O)Nc2cc(Cl)nc(OCC(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4861377 | 192201 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 505 | 7 | 2 | 7 | 4.2 | Cc1cc(CNC(=O)Nc2cc(Cl)nc(OCC(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F | 10.1021/acs.jmedchem.1c00138 | ||
164621155 | 192858 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 354 | 4 | 3 | 5 | 3.3 | Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1N(C)C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4871414 | 192858 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 354 | 4 | 3 | 5 | 3.3 | Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1N(C)C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL5093130 | 222188 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC(C)(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
6859942 | 79132 | 10 | None | 2 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 405 | 6 | 0 | 6 | 4.8 | Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 | nan | ||
CHEMBL1985061 | 79132 | 10 | None | 2 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 405 | 6 | 0 | 6 | 4.8 | Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 | nan | ||
917237 | 31903 | 7 | None | 7 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 314 | 1 | 1 | 3 | 4.0 | Cc1ccc2[nH]c3c(N4CCc5ccccc5C4)ncnc3c2c1 | nan | ||
CHEMBL1347469 | 31903 | 7 | None | 7 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 314 | 1 | 1 | 3 | 4.0 | Cc1ccc2[nH]c3c(N4CCc5ccccc5C4)ncnc3c2c1 | nan | ||
1445420 | 39490 | 5 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 455 | 7 | 1 | 8 | 4.2 | COc1ccc(OC)c(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2Cl)c1 | nan | ||
CHEMBL1413625 | 39490 | 5 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 455 | 7 | 1 | 8 | 4.2 | COc1ccc(OC)c(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2Cl)c1 | nan | ||
1211724 | 39907 | 20 | None | 1 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 251 | 2 | 0 | 3 | 2.8 | O=C(C#Cc1cccc([N+](=O)[O-])c1)c1ccccc1 | nan | ||
CHEMBL1417204 | 39907 | 20 | None | 1 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 251 | 2 | 0 | 3 | 2.8 | O=C(C#Cc1cccc([N+](=O)[O-])c1)c1ccccc1 | nan | ||
5389617 | 45440 | 1 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 352 | 6 | 1 | 5 | 1.8 | O=S(=O)(C/C(=C/CO)S(=O)(=O)c1ccccc1)c1ccccc1 | nan | ||
CHEMBL1465527 | 45440 | 1 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 352 | 6 | 1 | 5 | 1.8 | O=S(=O)(C/C(=C/CO)S(=O)(=O)c1ccccc1)c1ccccc1 | nan | ||
5663704 | 79159 | 6 | None | -1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 291 | 3 | 0 | 5 | 2.2 | CC1=C/C(=N\OS(=O)(=O)c2ccccc2)C(C)=CC1=O | nan | ||
CHEMBL1986259 | 79159 | 6 | None | -1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 291 | 3 | 0 | 5 | 2.2 | CC1=C/C(=N\OS(=O)(=O)c2ccccc2)C(C)=CC1=O | nan | ||
1474462 | 57202 | 22 | None | 2 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 316 | 3 | 0 | 5 | 2.5 | O=C(OCn1ncc(Cl)c(Cl)c1=O)c1ccc(F)cc1 | nan | ||
CHEMBL1572967 | 57202 | 22 | None | 2 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 316 | 3 | 0 | 5 | 2.5 | O=C(OCn1ncc(Cl)c(Cl)c1=O)c1ccc(F)cc1 | nan | ||
1288978 | 39271 | 14 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 491 | 6 | 1 | 5 | 3.5 | O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 | nan | ||
CHEMBL1411912 | 39271 | 14 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 491 | 6 | 1 | 5 | 3.5 | O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 | nan | ||
1941609 | 31166 | 34 | None | -3 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 440 | 1 | 1 | 6 | 2.7 | Cn1c2c(c(=O)n(C)c1=O)C(C(F)(F)F)(C(F)(F)F)NC(c1ccc(Cl)cc1)=N2 | nan | ||
CHEMBL1341270 | 31166 | 34 | None | -3 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 440 | 1 | 1 | 6 | 2.7 | Cn1c2c(c(=O)n(C)c1=O)C(C(F)(F)F)(C(F)(F)F)NC(c1ccc(Cl)cc1)=N2 | nan | ||
5759185 | 45451 | 5 | None | -4 | 5 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 300 | 4 | 0 | 6 | 2.8 | CC(C)(C)C(=O)/C(=C\c1cccc([N+](=O)[O-])c1)n1cncn1 | nan | ||
CHEMBL1465592 | 45451 | 5 | None | -4 | 5 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 300 | 4 | 0 | 6 | 2.8 | CC(C)(C)C(=O)/C(=C\c1cccc([N+](=O)[O-])c1)n1cncn1 | nan | ||
979629 | 56297 | 20 | None | 2 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 459 | 6 | 1 | 7 | 3.1 | COc1ccccc1C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 | nan | ||
CHEMBL1565349 | 56297 | 20 | None | 2 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 459 | 6 | 1 | 7 | 3.1 | COc1ccccc1C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 | nan | ||
1474462 | 57202 | 22 | None | 2 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 316 | 3 | 0 | 5 | 2.5 | O=C(OCn1ncc(Cl)c(Cl)c1=O)c1ccc(F)cc1 | nan | ||
CHEMBL1572967 | 57202 | 22 | None | 2 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 316 | 3 | 0 | 5 | 2.5 | O=C(OCn1ncc(Cl)c(Cl)c1=O)c1ccc(F)cc1 | nan | ||
CHEMBL5093933 | 222234 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | None | None | None | O=C(O)Cn1nc(CC(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
89484779 | 124469 | 0 | None | -2 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 549 | 10 | 3 | 5 | 6.7 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1 | 10.1016/j.bmcl.2015.09.022 | ||
CHEMBL3401383 | 124469 | 0 | None | -2 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 549 | 10 | 3 | 5 | 6.7 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1 | 10.1016/j.bmcl.2015.09.022 | ||
90309054 | 130346 | 0 | None | -8 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 594 | 7 | 2 | 6 | 6.5 | CS(=O)(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1016/j.bmcl.2015.09.022 | ||
CHEMBL3618199 | 130346 | 0 | None | -8 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 594 | 7 | 2 | 6 | 6.5 | CS(=O)(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1016/j.bmcl.2015.09.022 | ||
90309510 | 130347 | 0 | None | -6 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 595 | 7 | 3 | 6 | 5.7 | NS(=O)(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1016/j.bmcl.2015.09.022 | ||
CHEMBL3618200 | 130347 | 0 | None | -6 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 595 | 7 | 3 | 6 | 5.7 | NS(=O)(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1016/j.bmcl.2015.09.022 | ||
89484779 | 124469 | 0 | None | -2 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 549 | 10 | 3 | 5 | 6.7 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
CHEMBL3401383 | 124469 | 0 | None | -2 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 549 | 10 | 3 | 5 | 6.7 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
23071917 | 130341 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 416 | 2 | 2 | 2 | 5.0 | O=C(Nc1cc(F)cc(C(F)(F)F)c1)N1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2015.09.022 | ||
CHEMBL3618192 | 130341 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 416 | 2 | 2 | 2 | 5.0 | O=C(Nc1cc(F)cc(C(F)(F)F)c1)N1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2015.09.022 | ||
659623 | 26928 | 7 | None | 5 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 405 | 3 | 1 | 6 | 3.3 | Fc1ccc2[nH]c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc3c2c1 | nan | ||
CHEMBL1304582 | 26928 | 7 | None | 5 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 405 | 3 | 1 | 6 | 3.3 | Fc1ccc2[nH]c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc3c2c1 | nan | ||
90309325 | 144495 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 522 | 8 | 3 | 5 | 6.5 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)O)cc3)c2)CC1 | 10.1016/j.bmcl.2016.01.031 | ||
CHEMBL3758929 | 144495 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 522 | 8 | 3 | 5 | 6.5 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)O)cc3)c2)CC1 | 10.1016/j.bmcl.2016.01.031 | ||
90309054 | 130346 | 0 | None | 8 | 2 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 594 | 7 | 2 | 6 | 6.5 | CS(=O)(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1016/j.bmcl.2015.09.022 | ||
CHEMBL3618199 | 130346 | 0 | None | 8 | 2 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 594 | 7 | 2 | 6 | 6.5 | CS(=O)(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1016/j.bmcl.2015.09.022 | ||
CHEMBL5078844 | 221368 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | None | None | None | O=C(O)Cc1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
89484779 | 124469 | 0 | None | 2 | 2 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 549 | 10 | 3 | 5 | 6.7 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1 | 10.1016/j.bmcl.2015.09.022 | ||
CHEMBL3401383 | 124469 | 0 | None | 2 | 2 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 549 | 10 | 3 | 5 | 6.7 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1 | 10.1016/j.bmcl.2015.09.022 | ||
164626769 | 193099 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 414 | 6 | 2 | 6 | 3.9 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C)cn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4874736 | 193099 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 414 | 6 | 2 | 6 | 3.9 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C)cn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
137377799 | 192146 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 519 | 7 | 3 | 8 | 3.3 | Cc1cc(CNC(=O)Nc2cc(OCCO)nc(C(F)(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4860408 | 192146 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 519 | 7 | 3 | 8 | 3.3 | Cc1cc(CNC(=O)Nc2cc(OCCO)nc(C(F)(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F | 10.1021/acs.jmedchem.1c00138 | ||
164623201 | 192434 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 391 | 4 | 3 | 6 | 3.6 | Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1ccn(C)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4864744 | 192434 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 391 | 4 | 3 | 6 | 3.6 | Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1ccn(C)n1 | 10.1021/acs.jmedchem.1c00138 | ||
663146 | 48852 | 8 | None | 5 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 417 | 4 | 1 | 7 | 3.2 | COc1ccc2c(c1)[nH]c1c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc12 | nan | ||
CHEMBL1496004 | 48852 | 8 | None | 5 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 417 | 4 | 1 | 7 | 3.2 | COc1ccc2c(c1)[nH]c1c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc12 | nan | ||
2928973 | 52588 | 4 | None | 1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 349 | 2 | 0 | 5 | 4.4 | O=S1(=O)C=C(Sc2nc3cc(Cl)ccc3o2)c2ccccc21 | nan | ||
CHEMBL1531073 | 52588 | 4 | None | 1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 349 | 2 | 0 | 5 | 4.4 | O=S1(=O)C=C(Sc2nc3cc(Cl)ccc3o2)c2ccccc21 | nan | ||
9550933 | 56140 | 6 | None | 138 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 257 | 8 | 1 | 3 | 4.4 | CCCCCCCCNc1ncnc2ccccc12 | nan | ||
CHEMBL1563943 | 56140 | 6 | None | 138 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 257 | 8 | 1 | 3 | 4.4 | CCCCCCCCNc1ncnc2ccccc12 | nan | ||
CHEMBL5086993 | 221841 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | None | None | None | O=C(Cc1nn(C2CCNC2)c(=O)c2ccccc12)Nc1ccc(OC(F)(F)F)c(Cl)c1 | 10.1021/acs.jmedchem.1c01066 | ||||
164609902 | 192035 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 433 | 6 | 2 | 6 | 3.8 | CCOc1cc(NC(=O)NCc2cc(C)c(N3CC(C)OC(C)C3)cn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4858509 | 192035 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 433 | 6 | 2 | 6 | 3.8 | CCOc1cc(NC(=O)NCc2cc(C)c(N3CC(C)OC(C)C3)cn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
164625126 | 192646 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 411 | 6 | 2 | 7 | 4.0 | CCOc1nc(Cl)cc2nc(NCc3cc(C)c(-c4cn(C)nc4C)cn3)[nH]c12 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4868016 | 192646 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 411 | 6 | 2 | 7 | 4.0 | CCOc1nc(Cl)cc2nc(NCc3cc(C)c(-c4cn(C)nc4C)cn3)[nH]c12 | 10.1021/acs.jmedchem.1c00138 | ||
2319091 | 62780 | 2 | None | 3 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 466 | 2 | 0 | 2 | 6.1 | Cc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2CCc2ccc4cccnc4c2-3)cc1 | nan | ||
CHEMBL1546374 | 62780 | 2 | None | 3 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 466 | 2 | 0 | 2 | 6.1 | Cc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2CCc2ccc4cccnc4c2-3)cc1 | nan | ||
CHEMBL1624511 | 62780 | 2 | None | 3 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 466 | 2 | 0 | 2 | 6.1 | Cc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2CCc2ccc4cccnc4c2-3)cc1 | nan | ||
CHEMBL5073747 | 221083 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | None | None | None | CCC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
118728431 | 124473 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 577 | 10 | 2 | 5 | 7.3 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N(C)C)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
CHEMBL3401387 | 124473 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 577 | 10 | 2 | 5 | 7.3 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N(C)C)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
5547949 | 115014 | 6 | None | 1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 291 | 3 | 0 | 5 | 2.2 | CC1=C(C)/C(=N\OS(=O)(=O)c2ccccc2)C=CC1=O | nan | ||
CHEMBL3196976 | 115014 | 6 | None | 1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 291 | 3 | 0 | 5 | 2.2 | CC1=C(C)/C(=N\OS(=O)(=O)c2ccccc2)C=CC1=O | nan | ||
648878 | 56503 | 9 | None | -1 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 329 | 3 | 0 | 3 | 4.1 | CCN(CC)c1ccc2c(Cl)c(Br)c(=O)oc2c1 | nan | ||
CHEMBL1566928 | 56503 | 9 | None | -1 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 329 | 3 | 0 | 3 | 4.1 | CCN(CC)c1ccc2c(Cl)c(Br)c(=O)oc2c1 | nan | ||
3449225 | 41197 | 10 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 526 | 3 | 3 | 8 | 6.7 | Cc1cccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)C3c2ccc(O)c(O)c2)c1 | nan | ||
CHEMBL1428153 | 41197 | 10 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 526 | 3 | 3 | 8 | 6.7 | Cc1cccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)C3c2ccc(O)c(O)c2)c1 | nan | ||
662276 | 40516 | 12 | None | 4 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 343 | 5 | 1 | 7 | 3.2 | CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NC1CCCCC1 | nan | ||
CHEMBL1422386 | 40516 | 12 | None | 4 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 343 | 5 | 1 | 7 | 3.2 | CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NC1CCCCC1 | nan | ||
164609247 | 191169 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 468 | 6 | 2 | 6 | 4.6 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)cn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4845783 | 191169 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 468 | 6 | 2 | 6 | 4.6 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)cn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
137377728 | 192562 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 533 | 7 | 3 | 8 | 3.6 | Cc1cc(CNC(=O)Nc2cc(C(F)(F)F)nc(OCCO)c2C)nnc1-c1cn(C)nc1C(F)(F)F | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4866666 | 192562 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 533 | 7 | 3 | 8 | 3.6 | Cc1cc(CNC(=O)Nc2cc(C(F)(F)F)nc(OCCO)c2C)nnc1-c1cn(C)nc1C(F)(F)F | 10.1021/acs.jmedchem.1c00138 | ||
137377733 | 193385 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 449 | 6 | 2 | 7 | 3.6 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4878889 | 193385 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 449 | 6 | 2 | 7 | 3.6 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C)n1 | 10.1021/acs.jmedchem.1c00138 | ||
5286934 | 56075 | 8 | None | -2 | 5 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 294 | 9 | 0 | 4 | 2.4 | CCCCS(=O)(=O)/C=C\C=C/S(=O)(=O)CCCC | nan | ||
CHEMBL1563483 | 56075 | 8 | None | -2 | 5 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 294 | 9 | 0 | 4 | 2.4 | CCCCS(=O)(=O)/C=C\C=C/S(=O)(=O)CCCC | nan | ||
137377763 | 191730 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 463 | 6 | 2 | 7 | 3.9 | CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4853790 | 191730 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 463 | 6 | 2 | 7 | 3.9 | CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C | 10.1021/acs.jmedchem.1c00138 | ||
164627572 | 193050 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 394 | 5 | 4 | 5 | 3.1 | Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc(C(=O)NC2CC2)c1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4873977 | 193050 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 394 | 5 | 4 | 5 | 3.1 | Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc(C(=O)NC2CC2)c1 | 10.1021/acs.jmedchem.1c00138 | ||
137377865 | 192861 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 469 | 6 | 2 | 7 | 4.0 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4871481 | 192861 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 469 | 6 | 2 | 7 | 4.0 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
4269692 | 45736 | 10 | None | 2 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 526 | 3 | 3 | 8 | 6.7 | Cc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)C3c2ccc(O)c(O)c2)cc1 | nan | ||
CHEMBL1467961 | 45736 | 10 | None | 2 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 526 | 3 | 3 | 8 | 6.7 | Cc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)C3c2ccc(O)c(O)c2)cc1 | nan | ||
1720828 | 62906 | 10 | None | 3 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 300 | 8 | 1 | 2 | 4.7 | CCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 | nan | ||
CHEMBL1596681 | 62906 | 10 | None | 3 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 300 | 8 | 1 | 2 | 4.7 | CCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 | nan | ||
CHEMBL1625618 | 62906 | 10 | None | 3 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 300 | 8 | 1 | 2 | 4.7 | CCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 | nan | ||
CHEMBL5076177 | 221197 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | None | None | None | COc1cc(OC)c(NC(=O)Cc2nn(CC(=O)O)c(=O)c3ccccc23)cc1Cl | 10.1021/acs.jmedchem.1c01066 | ||||
2944643 | 40837 | 10 | None | 6 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 425 | 5 | 1 | 4 | 4.8 | CCCC(=O)N1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2Cl)CC1 | nan | ||
CHEMBL1424968 | 40837 | 10 | None | 6 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 425 | 5 | 1 | 4 | 4.8 | CCCC(=O)N1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2Cl)CC1 | nan | ||
4325987 | 53063 | 13 | None | 2 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 512 | 3 | 3 | 8 | 6.4 | Cc1nn(-c2ccccc2)c2c1C(c1ccc(O)c(O)c1)N1C(=N2)C(Nc2ccccc2)=Nc2ccccc21 | nan | ||
CHEMBL1535539 | 53063 | 13 | None | 2 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 512 | 3 | 3 | 8 | 6.4 | Cc1nn(-c2ccccc2)c2c1C(c1ccc(O)c(O)c1)N1C(=N2)C(Nc2ccccc2)=Nc2ccccc21 | nan | ||
164626769 | 193099 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 414 | 6 | 2 | 6 | 3.9 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C)cn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4874736 | 193099 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 414 | 6 | 2 | 6 | 3.9 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C)cn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL5080142 | 221445 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CCn1nc(CC(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
44607575 | 59321 | 0 | None | -29 | 5 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 375 | 4 | 1 | 3 | 5.8 | COc1cccc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 | nan | ||
CHEMBL1592119 | 59321 | 0 | None | -29 | 5 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 375 | 4 | 1 | 3 | 5.8 | COc1cccc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 | nan | ||
659822 | 61007 | 9 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 390 | 3 | 2 | 4 | 4.0 | CCC(NC(=O)Nc1nnc(C(F)(F)F)s1)(C(F)(F)F)C(F)(F)F | nan | ||
CHEMBL1607568 | 61007 | 9 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 390 | 3 | 2 | 4 | 4.0 | CCC(NC(=O)Nc1nnc(C(F)(F)F)s1)(C(F)(F)F)C(F)(F)F | nan | ||
137377828 | 192057 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | CCOc1nc(Cl)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4858923 | 192057 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | CCOc1nc(Cl)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C | 10.1021/acs.jmedchem.1c00138 | ||
164621933 | 192756 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 463 | 7 | 3 | 7 | 4.3 | CCOc1cc(NC(=O)NCc2cc(C)c(Nc3cn(C)nc3C)cn2)cc(C(F)(F)F)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4869752 | 192756 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 463 | 7 | 3 | 7 | 4.3 | CCOc1cc(NC(=O)NCc2cc(C)c(Nc3cn(C)nc3C)cn2)cc(C(F)(F)F)n1 | 10.1021/acs.jmedchem.1c00138 | ||
137377874 | 191282 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1Cl | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4847407 | 191282 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1Cl | 10.1021/acs.jmedchem.1c00138 | ||
137377911 | 192639 | 22 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 503 | 6 | 2 | 7 | 4.3 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C(F)(F)F)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4867946 | 192639 | 22 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 503 | 6 | 2 | 7 | 4.3 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C(F)(F)F)n1 | 10.1021/acs.jmedchem.1c00138 | ||
137377874 | 191282 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1Cl | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4847407 | 191282 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1Cl | 10.1021/acs.jmedchem.1c00138 | ||
137377763 | 191730 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 463 | 6 | 2 | 7 | 3.9 | CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4853790 | 191730 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 463 | 6 | 2 | 7 | 3.9 | CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C | 10.1021/acs.jmedchem.1c00138 | ||
6859942 | 79132 | 10 | None | 2 | 2 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 405 | 6 | 0 | 6 | 4.8 | Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 | nan | ||
CHEMBL1985061 | 79132 | 10 | None | 2 | 2 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 405 | 6 | 0 | 6 | 4.8 | Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 | nan | ||
CHEMBL5090966 | 222066 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(C(F)(F)F)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
89484784 | 139911 | 0 | None | 1 | 2 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 633 | 10 | 3 | 6 | 7.2 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N4CCCC(O)C4)cc3)c2)CC1 | nan | ||
CHEMBL3703200 | 139911 | 0 | None | 1 | 2 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 633 | 10 | 3 | 6 | 7.2 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N4CCCC(O)C4)cc3)c2)CC1 | nan | ||
89484784 | 139911 | 0 | None | -1 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 633 | 10 | 3 | 6 | 7.2 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N4CCCC(O)C4)cc3)c2)CC1 | nan | ||
CHEMBL3703200 | 139911 | 0 | None | -1 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 633 | 10 | 3 | 6 | 7.2 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N4CCCC(O)C4)cc3)c2)CC1 | nan | ||
71547558 | 139912 | 0 | None | -4 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 536 | 9 | 3 | 5 | 6.4 | CC(C)CC1(O)CN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)C1 | 10.1016/j.bmcl.2016.01.031 | ||
CHEMBL3703201 | 139912 | 0 | None | -4 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 536 | 9 | 3 | 5 | 6.4 | CC(C)CC1(O)CN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)C1 | 10.1016/j.bmcl.2016.01.031 | ||
164621155 | 192858 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 354 | 4 | 3 | 5 | 3.3 | Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1N(C)C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4871414 | 192858 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 354 | 4 | 3 | 5 | 3.3 | Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1N(C)C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL5073747 | 221083 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CCC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
CHEMBL5073747 | 221083 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CCC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
90309510 | 130347 | 0 | None | 6 | 2 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 595 | 7 | 3 | 6 | 5.7 | NS(=O)(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1016/j.bmcl.2015.09.022 | ||
CHEMBL3618200 | 130347 | 0 | None | 6 | 2 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 595 | 7 | 3 | 6 | 5.7 | NS(=O)(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1016/j.bmcl.2015.09.022 | ||
11452022 | 10368 | 39 | None | -20 | 6 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2011.10.088 | ||
6996 | 10368 | 39 | None | -20 | 6 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2011.10.088 | ||
CHEMBL366208 | 10368 | 39 | None | -20 | 6 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2011.10.088 | ||
118728425 | 124462 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 428 | 7 | 2 | 3 | 6.1 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(C)cc(Oc3ccc(F)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
CHEMBL3401376 | 124462 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 428 | 7 | 2 | 3 | 6.1 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(C)cc(Oc3ccc(F)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
137377865 | 192861 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 469 | 6 | 2 | 7 | 4.0 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4871481 | 192861 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 469 | 6 | 2 | 7 | 4.0 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
666746 | 26880 | 10 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 382 | 2 | 1 | 6 | 4.8 | Cn1c(-c2c(N)n(C3CCCC3)c3nc4ccccc4nc23)nc2ccccc21 | nan | ||
CHEMBL1304169 | 26880 | 10 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 382 | 2 | 1 | 6 | 4.8 | Cn1c(-c2c(N)n(C3CCCC3)c3nc4ccccc4nc23)nc2ccccc21 | nan | ||
CHEMBL5090966 | 222066 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(C(F)(F)F)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
141537981 | 192201 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 505 | 7 | 2 | 7 | 4.2 | Cc1cc(CNC(=O)Nc2cc(Cl)nc(OCC(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4861377 | 192201 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 505 | 7 | 2 | 7 | 4.2 | Cc1cc(CNC(=O)Nc2cc(Cl)nc(OCC(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F | 10.1021/acs.jmedchem.1c00138 | ||
4112227 | 40257 | 10 | None | 2 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 392 | 3 | 0 | 7 | 4.0 | Fc1ccc(-n2nnnc2-c2cnc(-c3cccs3)nc2C(F)(F)F)cc1 | nan | ||
CHEMBL1420175 | 40257 | 10 | None | 2 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 392 | 3 | 0 | 7 | 4.0 | Fc1ccc(-n2nnnc2-c2cnc(-c3cccs3)nc2C(F)(F)F)cc1 | nan | ||
137377763 | 191730 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 463 | 6 | 2 | 7 | 3.9 | CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4853790 | 191730 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 463 | 6 | 2 | 7 | 3.9 | CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL5079608 | 221405 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | None | None | None | O=C(O)Cn1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
137377733 | 193385 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 449 | 6 | 2 | 7 | 3.6 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4878889 | 193385 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 449 | 6 | 2 | 7 | 3.6 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C)n1 | 10.1021/acs.jmedchem.1c00138 | ||
164621933 | 192756 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 463 | 7 | 3 | 7 | 4.3 | CCOc1cc(NC(=O)NCc2cc(C)c(Nc3cn(C)nc3C)cn2)cc(C(F)(F)F)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4869752 | 192756 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 463 | 7 | 3 | 7 | 4.3 | CCOc1cc(NC(=O)NCc2cc(C)c(Nc3cn(C)nc3C)cn2)cc(C(F)(F)F)n1 | 10.1021/acs.jmedchem.1c00138 | ||
164621933 | 192756 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 463 | 7 | 3 | 7 | 4.3 | CCOc1cc(NC(=O)NCc2cc(C)c(Nc3cn(C)nc3C)cn2)cc(C(F)(F)F)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4869752 | 192756 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 463 | 7 | 3 | 7 | 4.3 | CCOc1cc(NC(=O)NCc2cc(C)c(Nc3cn(C)nc3C)cn2)cc(C(F)(F)F)n1 | 10.1021/acs.jmedchem.1c00138 | ||
137377721 | 192133 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 460 | 6 | 2 | 8 | 3.2 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C#N)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4860157 | 192133 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 460 | 6 | 2 | 8 | 3.2 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C#N)n1 | 10.1021/acs.jmedchem.1c00138 | ||
137377731 | 193287 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 474 | 6 | 2 | 8 | 3.5 | CCOc1nc(C#N)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4877484 | 193287 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 474 | 6 | 2 | 8 | 3.5 | CCOc1nc(C#N)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL5090966 | 222066 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(C(F)(F)F)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
CHEMBL5074979 | 221126 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | None | None | None | O=C(Cc1nn(C2CC2)c(=O)c2ccccc12)Nc1ccc(OC(F)(F)F)c(Cl)c1 | 10.1021/acs.jmedchem.1c01066 | ||||
917237 | 31903 | 7 | None | 7 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 314 | 1 | 1 | 3 | 4.0 | Cc1ccc2[nH]c3c(N4CCc5ccccc5C4)ncnc3c2c1 | nan | ||
CHEMBL1347469 | 31903 | 7 | None | 7 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 314 | 1 | 1 | 3 | 4.0 | Cc1ccc2[nH]c3c(N4CCc5ccccc5C4)ncnc3c2c1 | nan | ||
1108211 | 60697 | 21 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 369 | 1 | 1 | 3 | 3.7 | Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(Br)ccc(c23)C1=O | nan | ||
CHEMBL1605274 | 60697 | 21 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 369 | 1 | 1 | 3 | 3.7 | Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(Br)ccc(c23)C1=O | nan | ||
CHEMBL5081161 | 221509 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | None | None | None | COC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
90309524 | 124467 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 584 | 10 | 2 | 6 | 7.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(S(C)(=O)=O)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
CHEMBL3401381 | 124467 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 584 | 10 | 2 | 6 | 7.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(S(C)(=O)=O)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
105193 | 19272 | 5 | None | 81 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 385 | 4 | 0 | 1 | 6.3 | CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | nan | ||
5982226 | 19272 | 5 | None | 81 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 385 | 4 | 0 | 1 | 6.3 | CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | nan | ||
6912924 | 19272 | 5 | None | 81 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 385 | 4 | 0 | 1 | 6.3 | CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | nan | ||
6914143 | 19272 | 5 | None | 81 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 385 | 4 | 0 | 1 | 6.3 | CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | nan | ||
91972152 | 19272 | 5 | None | 81 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 385 | 4 | 0 | 1 | 6.3 | CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | nan | ||
CHEMBL1186511 | 19272 | 5 | None | 81 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 385 | 4 | 0 | 1 | 6.3 | CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | nan | ||
CHEMBL1518905 | 19272 | 5 | None | 81 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 385 | 4 | 0 | 1 | 6.3 | CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | nan | ||
5654285 | 115227 | 9 | None | 2 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 277 | 3 | 0 | 5 | 1.8 | CC1=C/C(=N\OS(=O)(=O)c2ccccc2)C=CC1=O | nan | ||
CHEMBL3199050 | 115227 | 9 | None | 2 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 277 | 3 | 0 | 5 | 1.8 | CC1=C/C(=N\OS(=O)(=O)c2ccccc2)C=CC1=O | nan | ||
CHEMBL5076031 | 221188 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
71547555 | 130348 | 1 | None | -15 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 560 | 7 | 3 | 5 | 6.8 | O=C(O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1016/j.bmcl.2016.01.031 | ||
CHEMBL3618201 | 130348 | 1 | None | -15 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 560 | 7 | 3 | 5 | 6.8 | O=C(O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1016/j.bmcl.2016.01.031 | ||
71547555 | 130348 | 1 | None | -15 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 560 | 7 | 3 | 5 | 6.8 | O=C(O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1016/j.bmcl.2015.09.022 | ||
CHEMBL3618201 | 130348 | 1 | None | -15 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 560 | 7 | 3 | 5 | 6.8 | O=C(O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1016/j.bmcl.2015.09.022 | ||
164622072 | 193016 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 405 | 4 | 3 | 4 | 5.0 | Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc(-c2ccc(F)cc2)c1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4873481 | 193016 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 405 | 4 | 3 | 4 | 5.0 | Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc(-c2ccc(F)cc2)c1 | 10.1021/acs.jmedchem.1c00138 | ||
71547555 | 130348 | 1 | None | -15 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 560 | 7 | 3 | 5 | 6.8 | O=C(O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | nan | ||
CHEMBL3618201 | 130348 | 1 | None | -15 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 560 | 7 | 3 | 5 | 6.8 | O=C(O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | nan | ||
90343274 | 144604 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 562 | 9 | 3 | 5 | 6.9 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C4(C(=O)O)CC4)cc3)c2)CC1 | 10.1016/j.bmcl.2016.01.031 | ||
CHEMBL3759864 | 144604 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 562 | 9 | 3 | 5 | 6.9 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C4(C(=O)O)CC4)cc3)c2)CC1 | 10.1016/j.bmcl.2016.01.031 | ||
CHEMBL5081728 | 221542 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | None | None | None | O=C(O)Cn1nc(Cc2nc3cc(C(F)(F)F)c(OCC4CC4)cc3[nH]2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
CHEMBL5078844 | 221368 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | None | None | None | O=C(O)Cc1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
164609590 | 191179 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 336 | 3 | 3 | 5 | 3.1 | Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1C#N | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4845863 | 191179 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 336 | 3 | 3 | 5 | 3.1 | Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1C#N | 10.1021/acs.jmedchem.1c00138 | ||
3609942 | 53656 | 1 | None | -4 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 415 | 2 | 0 | 5 | 4.6 | COC(=O)C1CN(C#N)N(c2ccc(Cl)cc2)C12c1ccccc1-c1ccccc12 | nan | ||
CHEMBL1540682 | 53656 | 1 | None | -4 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 415 | 2 | 0 | 5 | 4.6 | COC(=O)C1CN(C#N)N(c2ccc(Cl)cc2)C12c1ccccc1-c1ccccc12 | nan | ||
CHEMBL5087518 | 221884 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | None | None | None | COc1cc2[nH]c(Cc3nn(CC(=O)O)c(=O)c4ccccc34)nc2cc1Cl | 10.1021/acs.jmedchem.1c01066 | ||||
6217704 | 39357 | 3 | None | -18 | 6 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 490 | 7 | 0 | 8 | 5.2 | CCOC(=O)/C(=C\c1ccc(OC(F)F)cc1)C1=Nn2c(nnc2-c2ccc(Cl)cc2)SC1 | nan | ||
CHEMBL1412583 | 39357 | 3 | None | -18 | 6 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 490 | 7 | 0 | 8 | 5.2 | CCOC(=O)/C(=C\c1ccc(OC(F)F)cc1)C1=Nn2c(nnc2-c2ccc(Cl)cc2)SC1 | nan | ||
597363 | 42509 | 12 | None | 2 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 293 | 3 | 1 | 8 | 1.0 | CC(=O)Nc1cc(OC(C)=O)c2nonc2c1OC(C)=O | nan | ||
CHEMBL1440703 | 42509 | 12 | None | 2 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 293 | 3 | 1 | 8 | 1.0 | CC(=O)Nc1cc(OC(C)=O)c2nonc2c1OC(C)=O | nan | ||
460749 | 30321 | 8 | None | -1 | 6 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 303 | 1 | 0 | 7 | 0.7 | Cn1nc(-c2ccc(Cl)cc2)nc2c(=O)n(C)c(=O)nc1-2 | nan | ||
CHEMBL1334062 | 30321 | 8 | None | -1 | 6 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 303 | 1 | 0 | 7 | 0.7 | Cn1nc(-c2ccc(Cl)cc2)nc2c(=O)n(C)c(=O)nc1-2 | nan | ||
105193 | 19272 | 5 | None | 81 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 385 | 4 | 0 | 1 | 6.3 | CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | nan | ||
5982226 | 19272 | 5 | None | 81 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 385 | 4 | 0 | 1 | 6.3 | CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | nan | ||
6912924 | 19272 | 5 | None | 81 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 385 | 4 | 0 | 1 | 6.3 | CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | nan | ||
6914143 | 19272 | 5 | None | 81 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 385 | 4 | 0 | 1 | 6.3 | CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | nan | ||
91972152 | 19272 | 5 | None | 81 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 385 | 4 | 0 | 1 | 6.3 | CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | nan | ||
CHEMBL1186511 | 19272 | 5 | None | 81 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 385 | 4 | 0 | 1 | 6.3 | CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | nan | ||
CHEMBL1518905 | 19272 | 5 | None | 81 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 385 | 4 | 0 | 1 | 6.3 | CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | nan | ||
137377912 | 192119 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 499 | 8 | 2 | 8 | 3.6 | COCCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4859853 | 192119 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 499 | 8 | 2 | 8 | 3.6 | COCCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
137377912 | 192119 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 499 | 8 | 2 | 8 | 3.6 | COCCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4859853 | 192119 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 499 | 8 | 2 | 8 | 3.6 | COCCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
1445420 | 39490 | 5 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 455 | 7 | 1 | 8 | 4.2 | COc1ccc(OC)c(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2Cl)c1 | nan | ||
CHEMBL1413625 | 39490 | 5 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 455 | 7 | 1 | 8 | 4.2 | COc1ccc(OC)c(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2Cl)c1 | nan | ||
CHEMBL5079608 | 221405 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | None | None | None | O=C(O)Cn1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
CHEMBL5081728 | 221542 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | None | None | None | O=C(O)Cn1nc(Cc2nc3cc(C(F)(F)F)c(OCC4CC4)cc3[nH]2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
137377721 | 192133 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 460 | 6 | 2 | 8 | 3.2 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C#N)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4860157 | 192133 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 460 | 6 | 2 | 8 | 3.2 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C#N)n1 | 10.1021/acs.jmedchem.1c00138 | ||
570353 | 49838 | 6 | None | 15 | 4 | Human | 6.2 | pIC50 | = | 6.2 | 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 | 15 | 4 | Human | 6.2 | pIC50 | = | 6.2 | 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 | ||
3146467 | 62202 | 6 | None | 7 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 347 | 3 | 0 | 2 | 5.4 | CCN1/C(=C/c2ccc3cccc(C)c3[n+]2CC)Sc2ccccc21 | nan | ||
5767645 | 62202 | 6 | None | 7 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 347 | 3 | 0 | 2 | 5.4 | CCN1/C(=C/c2ccc3cccc(C)c3[n+]2CC)Sc2ccccc21 | nan | ||
5847067 | 62202 | 6 | None | 7 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 347 | 3 | 0 | 2 | 5.4 | CCN1/C(=C/c2ccc3cccc(C)c3[n+]2CC)Sc2ccccc21 | nan | ||
CHEMBL1404792 | 62202 | 6 | None | 7 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 347 | 3 | 0 | 2 | 5.4 | CCN1/C(=C/c2ccc3cccc(C)c3[n+]2CC)Sc2ccccc21 | nan | ||
CHEMBL1619624 | 62202 | 6 | None | 7 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 347 | 3 | 0 | 2 | 5.4 | CCN1/C(=C/c2ccc3cccc(C)c3[n+]2CC)Sc2ccccc21 | nan | ||
23071887 | 130339 | 0 | None | 4 | 2 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 460 | 2 | 2 | 2 | 5.1 | O=C(Nc1cc(F)cc(C(F)(F)F)c1)N1CCC(O)(c2ccc(Br)cc2)CC1 | 10.1016/j.bmcl.2015.09.022 | ||
CHEMBL3618190 | 130339 | 0 | None | 4 | 2 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 460 | 2 | 2 | 2 | 5.1 | O=C(Nc1cc(F)cc(C(F)(F)F)c1)N1CCC(O)(c2ccc(Br)cc2)CC1 | 10.1016/j.bmcl.2015.09.022 | ||
164609590 | 191179 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 336 | 3 | 3 | 5 | 3.1 | Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1C#N | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4845863 | 191179 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 336 | 3 | 3 | 5 | 3.1 | Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1C#N | 10.1021/acs.jmedchem.1c00138 | ||
89484793 | 139910 | 0 | None | 1 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 577 | 11 | 3 | 5 | 7.3 | CCNC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC(CC)CC)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | nan | ||
CHEMBL3703199 | 139910 | 0 | None | 1 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 577 | 11 | 3 | 5 | 7.3 | CCNC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC(CC)CC)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | nan | ||
CHEMBL5070413 | 221015 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | None | None | None | O=C(O)Cn1nc(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
CHEMBL5079623 | 221407 | 5 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | None | None | None | C[C@H](C(=O)O)n1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
CHEMBL5093130 | 222188 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC(C)(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
11958855 | 37344 | 13 | None | 3 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 388 | 3 | 2 | 5 | 4.1 | Nc1nc(Cl)cc(N2CCC(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)n1 | nan | ||
CHEMBL1393625 | 37344 | 13 | None | 3 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 388 | 3 | 2 | 5 | 4.1 | Nc1nc(Cl)cc(N2CCC(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)n1 | nan | ||
137377799 | 192146 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 519 | 7 | 3 | 8 | 3.3 | Cc1cc(CNC(=O)Nc2cc(OCCO)nc(C(F)(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4860408 | 192146 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 519 | 7 | 3 | 8 | 3.3 | Cc1cc(CNC(=O)Nc2cc(OCCO)nc(C(F)(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F | 10.1021/acs.jmedchem.1c00138 | ||
137377799 | 192146 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 519 | 7 | 3 | 8 | 3.3 | Cc1cc(CNC(=O)Nc2cc(OCCO)nc(C(F)(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4860408 | 192146 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 519 | 7 | 3 | 8 | 3.3 | Cc1cc(CNC(=O)Nc2cc(OCCO)nc(C(F)(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F | 10.1021/acs.jmedchem.1c00138 | ||
137377731 | 193287 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 474 | 6 | 2 | 8 | 3.5 | CCOc1nc(C#N)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4877484 | 193287 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 474 | 6 | 2 | 8 | 3.5 | CCOc1nc(C#N)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C | 10.1021/acs.jmedchem.1c00138 | ||
141537981 | 192201 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 505 | 7 | 2 | 7 | 4.2 | Cc1cc(CNC(=O)Nc2cc(Cl)nc(OCC(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4861377 | 192201 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 505 | 7 | 2 | 7 | 4.2 | Cc1cc(CNC(=O)Nc2cc(Cl)nc(OCC(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F | 10.1021/acs.jmedchem.1c00138 | ||
5863319 | 50299 | 16 | None | 3 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 462 | 5 | 0 | 4 | 7.4 | COc1ccc(-c2c(Sc3cccc(C(F)(F)F)c3)c3ccc(OC)cc3[s+]2[O-])cc1 | nan | ||
CHEMBL1508593 | 50299 | 16 | None | 3 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 462 | 5 | 0 | 4 | 7.4 | COc1ccc(-c2c(Sc3cccc(C(F)(F)F)c3)c3ccc(OC)cc3[s+]2[O-])cc1 | nan | ||
23071977 | 130337 | 0 | None | 21 | 2 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 390 | 5 | 2 | 2 | 5.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(F)cc(C(F)(F)F)c2)CC1 | 10.1016/j.bmcl.2015.09.022 | ||
CHEMBL3618189 | 130337 | 0 | None | 21 | 2 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 390 | 5 | 2 | 2 | 5.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(F)cc(C(F)(F)F)c2)CC1 | 10.1016/j.bmcl.2015.09.022 | ||
91826297 | 139915 | 0 | None | 21 | 2 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 482 | 7 | 2 | 3 | 6.8 | CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3cc(F)cc(C(F)(F)F)c3)c2)CC1 | nan | ||
CHEMBL3703204 | 139915 | 0 | None | 21 | 2 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 482 | 7 | 2 | 3 | 6.8 | CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3cc(F)cc(C(F)(F)F)c3)c2)CC1 | nan | ||
141537981 | 192201 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 505 | 7 | 2 | 7 | 4.2 | Cc1cc(CNC(=O)Nc2cc(Cl)nc(OCC(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4861377 | 192201 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 505 | 7 | 2 | 7 | 4.2 | Cc1cc(CNC(=O)Nc2cc(Cl)nc(OCC(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F | 10.1021/acs.jmedchem.1c00138 | ||
1472225 | 31516 | 11 | None | -2 | 7 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 398 | 6 | 1 | 4 | 3.9 | COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccc(C)cc2)cn1 | nan | ||
CHEMBL1344225 | 31516 | 11 | None | -2 | 7 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 398 | 6 | 1 | 4 | 3.9 | COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccc(C)cc2)cn1 | nan | ||
CHEMBL5093933 | 222234 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | None | None | None | O=C(O)Cn1nc(CC(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
90309056 | 130344 | 0 | None | -4 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 559 | 7 | 3 | 5 | 6.2 | NC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1016/j.bmcl.2015.09.022 | ||
CHEMBL3618197 | 130344 | 0 | None | -4 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 559 | 7 | 3 | 5 | 6.2 | NC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1016/j.bmcl.2015.09.022 | ||
164616041 | 192152 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 383 | 5 | 3 | 6 | 3.4 | CCOC(=O)c1cc(C)cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4860509 | 192152 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 383 | 5 | 3 | 6 | 3.4 | CCOC(=O)c1cc(C)cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)n1 | 10.1021/acs.jmedchem.1c00138 | ||
137377865 | 192861 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 469 | 6 | 2 | 7 | 4.0 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4871481 | 192861 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 469 | 6 | 2 | 7 | 4.0 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c00138 | ||
1288978 | 39271 | 14 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 491 | 6 | 1 | 5 | 3.5 | O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 | nan | ||
CHEMBL1411912 | 39271 | 14 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 491 | 6 | 1 | 5 | 3.5 | O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 | nan | ||
4492589 | 37681 | 6 | None | -102 | 4 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 359 | 3 | 1 | 2 | 6.1 | Cc1cccc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 | nan | ||
CHEMBL1397874 | 37681 | 6 | None | -102 | 4 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 359 | 3 | 1 | 2 | 6.1 | Cc1cccc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 | nan | ||
4287683 | 27537 | 10 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 543 | 5 | 2 | 3 | 6.6 | O=C(c1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1)N1CCCCC1 | nan | ||
CHEMBL1309450 | 27537 | 10 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 543 | 5 | 2 | 3 | 6.6 | O=C(c1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1)N1CCCCC1 | nan | ||
CHEMBL5079608 | 221405 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | None | None | None | O=C(O)Cn1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
90309142 | 7785 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 550 | 9 | 3 | 5 | 6.8 | Fc1ccc(cc1)Oc1cc(Oc2ccc(cc2)C(C(=O)O)(C)C)cc(c1)NC(=O)N1CCC(C1)(O)CC(C)C | 10.1016/j.bmcl.2016.01.031 | ||
9223 | 7785 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 550 | 9 | 3 | 5 | 6.8 | Fc1ccc(cc1)Oc1cc(Oc2ccc(cc2)C(C(=O)O)(C)C)cc(c1)NC(=O)N1CCC(C1)(O)CC(C)C | 10.1016/j.bmcl.2016.01.031 | ||
CHEMBL3759434 | 7785 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 550 | 9 | 3 | 5 | 6.8 | Fc1ccc(cc1)Oc1cc(Oc2ccc(cc2)C(C(=O)O)(C)C)cc(c1)NC(=O)N1CCC(C1)(O)CC(C)C | 10.1016/j.bmcl.2016.01.031 | ||
90309141 | 144487 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 564 | 9 | 3 | 5 | 7.2 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3cccc(C(C)(C)C(=O)O)c3)c2)CC1 | 10.1016/j.bmcl.2016.01.031 | ||
CHEMBL3758872 | 144487 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 564 | 9 | 3 | 5 | 7.2 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3cccc(C(C)(C)C(=O)O)c3)c2)CC1 | 10.1016/j.bmcl.2016.01.031 | ||
90309512 | 144562 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 562 | 8 | 3 | 5 | 6.9 | CC(C)(C(=O)O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(C4CCCC4)C3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1016/j.bmcl.2016.01.031 | ||
CHEMBL3759532 | 144562 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 562 | 8 | 3 | 5 | 6.9 | CC(C)(C(=O)O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(C4CCCC4)C3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1016/j.bmcl.2016.01.031 | ||
CHEMBL5076737 | 221241 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | None | None | None | O=C(O)Cn1nc(Cc2nc3cc(Cl)c(OCC4CC4)cc3[nH]2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
3449225 | 41197 | 10 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 526 | 3 | 3 | 8 | 6.7 | Cc1cccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)C3c2ccc(O)c(O)c2)c1 | nan | ||
CHEMBL1428153 | 41197 | 10 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 526 | 3 | 3 | 8 | 6.7 | Cc1cccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)C3c2ccc(O)c(O)c2)c1 | nan | ||
4971561 | 47107 | 10 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 432 | 5 | 1 | 6 | 5.4 | Cn1c(-c2c(N)n(CCCc3ccccc3)c3nc4ccccc4nc23)nc2ccccc21 | nan | ||
CHEMBL1481335 | 47107 | 10 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 432 | 5 | 1 | 6 | 5.4 | Cn1c(-c2c(N)n(CCCc3ccccc3)c3nc4ccccc4nc23)nc2ccccc21 | nan | ||
659623 | 26928 | 7 | None | 5 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 405 | 3 | 1 | 6 | 3.3 | Fc1ccc2[nH]c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc3c2c1 | nan | ||
CHEMBL1304582 | 26928 | 7 | None | 5 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 405 | 3 | 1 | 6 | 3.3 | Fc1ccc2[nH]c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc3c2c1 | nan | ||
CHEMBL5094625 | 222283 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | None | None | None | O=C(O)C1(c2nn(Cc3cn4cc(OCC5CC5)c(Cl)cc4n3)c3ccccc3c2=O)CC1 | 10.1021/acs.jmedchem.1c01066 | ||||
118728423 | 124459 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 410 | 7 | 2 | 3 | 6.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(C)cc(Oc3ccccc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
CHEMBL3401373 | 124459 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 410 | 7 | 2 | 3 | 6.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(C)cc(Oc3ccccc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
90309206 | 130343 | 0 | None | -6 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 575 | 7 | 3 | 5 | 6.7 | NC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1016/j.bmcl.2015.09.022 | ||
CHEMBL3618196 | 130343 | 0 | None | -6 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 575 | 7 | 3 | 5 | 6.7 | NC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1016/j.bmcl.2015.09.022 | ||
649706 | 27266 | 2 | None | -3 | 5 | Human | 4.1 | pIC50 | = | 4.1 | 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 | -3 | 5 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 420 | 5 | 0 | 7 | 4.3 | CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nnc(Cn2nnc3ccccc32)s1 | nan | ||
118728429 | 124466 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 531 | 9 | 2 | 5 | 7.5 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C#N)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
CHEMBL3401380 | 124466 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 531 | 9 | 2 | 5 | 7.5 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C#N)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
137377728 | 192562 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 533 | 7 | 3 | 8 | 3.6 | Cc1cc(CNC(=O)Nc2cc(C(F)(F)F)nc(OCCO)c2C)nnc1-c1cn(C)nc1C(F)(F)F | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4866666 | 192562 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 533 | 7 | 3 | 8 | 3.6 | Cc1cc(CNC(=O)Nc2cc(C(F)(F)F)nc(OCCO)c2C)nnc1-c1cn(C)nc1C(F)(F)F | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL5070413 | 221015 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | None | None | None | O=C(O)Cn1nc(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
118728426 | 124463 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 448 | 7 | 2 | 3 | 6.5 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Cl)cc(Oc3ccc(F)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
CHEMBL3401377 | 124463 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 448 | 7 | 2 | 3 | 6.5 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Cl)cc(Oc3ccc(F)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
137377874 | 191282 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1Cl | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4847407 | 191282 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1Cl | 10.1021/acs.jmedchem.1c00138 | ||
137377911 | 192639 | 22 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 503 | 6 | 2 | 7 | 4.3 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C(F)(F)F)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4867946 | 192639 | 22 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 503 | 6 | 2 | 7 | 4.3 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C(F)(F)F)n1 | 10.1021/acs.jmedchem.1c00138 | ||
5235407 | 46101 | 11 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 524 | 8 | 1 | 7 | 4.5 | CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1 | nan | ||
CHEMBL1470979 | 46101 | 11 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 524 | 8 | 1 | 7 | 4.5 | CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1 | nan | ||
90309100 | 124471 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 549 | 10 | 3 | 5 | 6.7 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccccc3C(N)=O)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
CHEMBL3401385 | 124471 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 549 | 10 | 3 | 5 | 6.7 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccccc3C(N)=O)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
137377828 | 192057 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | CCOc1nc(Cl)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4858923 | 192057 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 483 | 6 | 2 | 7 | 4.3 | CCOc1nc(Cl)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C | 10.1021/acs.jmedchem.1c00138 | ||
137377911 | 192639 | 22 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 503 | 6 | 2 | 7 | 4.3 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C(F)(F)F)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4867946 | 192639 | 22 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 503 | 6 | 2 | 7 | 4.3 | CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C(F)(F)F)n1 | 10.1021/acs.jmedchem.1c00138 | ||
164627170 | 193063 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 428 | 4 | 2 | 5 | 4.2 | Cc1cc(CNC(=O)c2cc3c(Cl)nc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4874151 | 193063 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 428 | 4 | 2 | 5 | 4.2 | Cc1cc(CNC(=O)c2cc3c(Cl)nc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL5094933 | 222301 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | None | None | None | COc1cc(OC)c(NC(=O)Cn2nc(CC(=O)O)c3ccccc32)cc1Cl | 10.1021/acs.jmedchem.1c01066 | ||||
164628551 | 193322 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 400 | 4 | 2 | 5 | 4.9 | Cc1cc(CNc2nc3cc(Cl)c(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4877932 | 193322 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 400 | 4 | 2 | 5 | 4.9 | Cc1cc(CNc2nc3cc(Cl)c(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL5070413 | 221015 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | None | None | None | O=C(O)Cn1nc(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
90309243 | 144476 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 550 | 9 | 3 | 5 | 7.0 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)C(=O)O)cc3)c2)CC1 | 10.1016/j.bmcl.2016.01.031 | ||
CHEMBL3758775 | 144476 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 550 | 9 | 3 | 5 | 7.0 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)C(=O)O)cc3)c2)CC1 | 10.1016/j.bmcl.2016.01.031 | ||
164623201 | 192434 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 391 | 4 | 3 | 6 | 3.6 | Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1ccn(C)n1 | 10.1021/acs.jmedchem.1c00138 | ||
CHEMBL4864744 | 192434 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 391 | 4 | 3 | 6 | 3.6 | Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1ccn(C)n1 | 10.1021/acs.jmedchem.1c00138 | ||
71547558 | 139912 | 0 | None | -4 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 536 | 9 | 3 | 5 | 6.4 | CC(C)CC1(O)CN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)C1 | nan | ||
CHEMBL3703201 | 139912 | 0 | None | -4 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 536 | 9 | 3 | 5 | 6.4 | CC(C)CC1(O)CN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)C1 | nan | ||
89484793 | 139910 | 0 | None | -1 | 2 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 577 | 11 | 3 | 5 | 7.3 | CCNC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC(CC)CC)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | nan | ||
CHEMBL3703199 | 139910 | 0 | None | -1 | 2 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 577 | 11 | 3 | 5 | 7.3 | CCNC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC(CC)CC)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | nan | ||
3803930 | 201479 | 23 | None | 34 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 415 | 2 | 0 | 3 | 6.0 | N#CC(c1cccc(Cl)c1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 | nan | ||
CHEMBL533602 | 201479 | 23 | None | 34 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 415 | 2 | 0 | 3 | 6.0 | N#CC(c1cccc(Cl)c1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 | nan | ||
1720828 | 62906 | 10 | None | 3 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 300 | 8 | 1 | 2 | 4.7 | CCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 | nan | ||
CHEMBL1596681 | 62906 | 10 | None | 3 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 300 | 8 | 1 | 2 | 4.7 | CCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 | nan | ||
CHEMBL1625618 | 62906 | 10 | None | 3 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 300 | 8 | 1 | 2 | 4.7 | CCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 | nan | ||
3803930 | 201479 | 23 | None | 34 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 415 | 2 | 0 | 3 | 6.0 | N#CC(c1cccc(Cl)c1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 | nan | ||
CHEMBL533602 | 201479 | 23 | None | 34 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 415 | 2 | 0 | 3 | 6.0 | N#CC(c1cccc(Cl)c1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 | nan | ||
118728432 | 124474 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 507 | 9 | 2 | 5 | 7.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccncc3)cc(Oc3ccc(F)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
CHEMBL3401388 | 124474 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 507 | 9 | 2 | 5 | 7.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccncc3)cc(Oc3ccc(F)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
CHEMBL5081161 | 221509 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | None | None | None | COC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | 10.1021/acs.jmedchem.1c01066 | ||||
CHEMBL5086993 | 221841 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | None | None | None | O=C(Cc1nn(C2CCNC2)c(=O)c2ccccc12)Nc1ccc(OC(F)(F)F)c(Cl)c1 | 10.1021/acs.jmedchem.1c01066 | ||||
1472216 | 57387 | 12 | None | 1 | 4 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 384 | 6 | 1 | 4 | 3.6 | COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccccc2)cn1 | nan | ||
CHEMBL1574879 | 57387 | 12 | None | 1 | 4 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 384 | 6 | 1 | 4 | 3.6 | COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccccc2)cn1 | nan | ||
44607579 | 50666 | 1 | None | -56 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 379 | 3 | 1 | 2 | 6.5 | Cc1cccc(Cl)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 | nan | ||
CHEMBL1511831 | 50666 | 1 | None | -56 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 379 | 3 | 1 | 2 | 6.5 | Cc1cccc(Cl)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 | nan | ||
23071955 | 130342 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 400 | 2 | 2 | 2 | 4.5 | O=C(Nc1cc(F)cc(C(F)(F)F)c1)N1CCC(O)(c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2015.09.022 | ||
CHEMBL3618193 | 130342 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 400 | 2 | 2 | 2 | 4.5 | O=C(Nc1cc(F)cc(C(F)(F)F)c1)N1CCC(O)(c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2015.09.022 | ||
5740802 | 60838 | 6 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 310 | 3 | 0 | 3 | 4.9 | N#C/C(=C/c1ccc(N2CCCCCC2)o1)c1ccc(F)cc1 | nan | ||
CHEMBL1606330 | 60838 | 6 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 310 | 3 | 0 | 3 | 4.9 | N#C/C(=C/c1ccc(N2CCCCCC2)o1)c1ccc(F)cc1 | nan | ||
1472225 | 31516 | 11 | None | -2 | 7 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 398 | 6 | 1 | 4 | 3.9 | COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccc(C)cc2)cn1 | nan | ||
CHEMBL1344225 | 31516 | 11 | None | -2 | 7 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 398 | 6 | 1 | 4 | 3.9 | COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccc(C)cc2)cn1 | nan | ||
4287683 | 27537 | 10 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 543 | 5 | 2 | 3 | 6.6 | O=C(c1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1)N1CCCCC1 | nan | ||
CHEMBL1309450 | 27537 | 10 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 543 | 5 | 2 | 3 | 6.6 | O=C(c1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1)N1CCCCC1 | nan | ||
118728428 | 124465 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 524 | 9 | 2 | 4 | 7.7 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
CHEMBL3401379 | 124465 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 524 | 9 | 2 | 4 | 7.7 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | ||
460749 | 30321 | 8 | None | -1 | 6 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 303 | 1 | 0 | 7 | 0.7 | Cn1nc(-c2ccc(Cl)cc2)nc2c(=O)n(C)c(=O)nc1-2 | nan | ||
CHEMBL1334062 | 30321 | 8 | None | -1 | 6 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 303 | 1 | 0 | 7 | 0.7 | Cn1nc(-c2ccc(Cl)cc2)nc2c(=O)n(C)c(=O)nc1-2 | nan | ||
4269692 | 45736 | 10 | None | 2 | 2 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 526 | 3 | 3 | 8 | 6.7 | Cc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)C3c2ccc(O)c(O)c2)cc1 | nan | ||
CHEMBL1467961 | 45736 | 10 | None | 2 | 2 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 526 | 3 | 3 | 8 | 6.7 | Cc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)C3c2ccc(O)c(O)c2)cc1 | nan | ||
49848557 | 7884 | 0 | None | -12589 | 5 | Human | 4.5 | pEC50 | < | 4.5 | Functional | Guide to Pharmacology | 461 | 7 | 1 | 8 | 4.0 | OC(=O)CCN1CCc2c(C1)c(C)n(n2)c1nnc(s1)c1ccc(c(c1)Cl)OC(C)C | 26751273 | ||
9492 | 7884 | 0 | None | -12589 | 5 | Human | 4.5 | pEC50 | < | 4.5 | Functional | Guide to Pharmacology | 461 | 7 | 1 | 8 | 4.0 | OC(=O)CCN1CCc2c(C1)c(C)n(n2)c1nnc(s1)c1ccc(c(c1)Cl)OC(C)C | 26751273 | ||
CHEMBL3769933 | 7884 | 0 | None | -12589 | 5 | Human | 4.5 | pEC50 | < | 4.5 | Functional | Guide to Pharmacology | 461 | 7 | 1 | 8 | 4.0 | OC(=O)CCN1CCc2c(C1)c(C)n(n2)c1nnc(s1)c1ccc(c(c1)Cl)OC(C)C | 26751273 | ||
44599207 | 10381 | 43 | None | -6 | 5 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Drug Central | 516 | 9 | 1 | 4 | 6.8 | CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C | None | ||
5326 | 10381 | 43 | None | -6 | 5 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Drug Central | 516 | 9 | 1 | 4 | 6.8 | CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C | None | ||
9289 | 10381 | 43 | None | -6 | 5 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Drug Central | 516 | 9 | 1 | 4 | 6.8 | CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C | None | ||
CHEMBL2336071 | 10381 | 43 | None | -6 | 5 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Drug Central | 516 | 9 | 1 | 4 | 6.8 | CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C | None | ||
DB12371 | 10381 | 43 | None | -6 | 5 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Drug Central | 516 | 9 | 1 | 4 | 6.8 | CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C | None | ||
52938427 | 9758 | 55 | None | -1621 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | None | ||
5383 | 9758 | 55 | None | -1621 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | None | ||
8709 | 9758 | 55 | None | -1621 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | None | ||
CHEMBL3707247 | 9758 | 55 | None | -1621 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | None | ||
DB12612 | 9758 | 55 | None | -1621 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | None | ||
11312 | 8080 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 345 | 5 | 0 | 5 | 3.1 | N#Cc1ccc(=O)n(c1)CC(=O)c1cc(n(c1C)Cc1ccccc1)C | 23849205 | ||
25110470 | 8080 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 345 | 5 | 0 | 5 | 3.1 | N#Cc1ccc(=O)n(c1)CC(=O)c1cc(n(c1C)Cc1ccccc1)C | 23849205 | ||
2924 | 8421 | 43 | None | -56 | 7 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 25762025 | ||
44398069 | 8421 | 43 | None | -56 | 7 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 25762025 | ||
9908268 | 8421 | 43 | None | -56 | 7 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 25762025 | ||
CHEMBL114606 | 8421 | 43 | None | -56 | 7 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 25762025 | ||
10883396 | 10421 | 45 | None | -2 | 15 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 11705398 | ||
10883396 | 10421 | 45 | None | -2 | 15 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 17114004 | ||
5283560 | 10421 | 45 | None | -2 | 15 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 11705398 | ||
5283560 | 10421 | 45 | None | -2 | 15 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 17114004 | ||
911 | 10421 | 45 | None | -2 | 15 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 11705398 | ||
911 | 10421 | 45 | None | -2 | 15 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 17114004 | ||
CHEMBL225155 | 10421 | 45 | None | -2 | 15 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 11705398 | ||
CHEMBL225155 | 10421 | 45 | None | -2 | 15 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 17114004 | ||
10883396 | 10421 | 45 | None | -1 | 15 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 14732717 | ||
5283560 | 10421 | 45 | None | -1 | 15 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 14732717 | ||
911 | 10421 | 45 | None | -1 | 15 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 14732717 | ||
CHEMBL225155 | 10421 | 45 | None | -1 | 15 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 14732717 | ||
52938427 | 9758 | 55 | None | -1621 | 5 | Human | 5.0 | pEC50 | > | 5 | Functional | Guide to Pharmacology | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | 26990079 | ||
5383 | 9758 | 55 | None | -1621 | 5 | Human | 5.0 | pEC50 | > | 5 | Functional | Guide to Pharmacology | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | 26990079 | ||
8709 | 9758 | 55 | None | -1621 | 5 | Human | 5.0 | pEC50 | > | 5 | Functional | Guide to Pharmacology | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | 26990079 | ||
CHEMBL3707247 | 9758 | 55 | None | -1621 | 5 | Human | 5.0 | pEC50 | > | 5 | Functional | Guide to Pharmacology | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | 26990079 | ||
DB12612 | 9758 | 55 | None | -1621 | 5 | Human | 5.0 | pEC50 | > | 5 | Functional | Guide to Pharmacology | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | 26990079 | ||
11259583 | 7312 | 17 | None | -15848 | 7 | Mouse | 4.9 | pEC50 | None | 4.9 | Functional | Guide to Pharmacology | 455 | 7 | 2 | 3 | 6.8 | OC(=O)CCNCc1ccc2c(c1)cc(s2)c1ccc(c(c1)C(F)(F)F)c1ccccc1 | 17114004 | ||
2925 | 7312 | 17 | None | -15848 | 7 | Mouse | 4.9 | pEC50 | None | 4.9 | Functional | Guide to Pharmacology | 455 | 7 | 2 | 3 | 6.8 | OC(=O)CCNCc1ccc2c(c1)cc(s2)c1ccc(c(c1)C(F)(F)F)c1ccccc1 | 17114004 | ||
CHEMBL4579553 | 7312 | 17 | None | -15848 | 7 | Mouse | 4.9 | pEC50 | None | 4.9 | Functional | Guide to Pharmacology | 455 | 7 | 2 | 3 | 6.8 | OC(=O)CCNCc1ccc2c(c1)cc(s2)c1ccc(c(c1)C(F)(F)F)c1ccccc1 | 17114004 | ||
10223146 | 8936 | 60 | None | 1 | 2 | Rat | 7.7 | pIC50 | = | 7.7 | Functional | Guide to Pharmacology | 407 | 4 | 3 | 6 | 4.3 | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C | 12445827 | ||
10223146 | 8936 | 60 | None | 1 | 2 | Rat | 7.7 | pIC50 | = | 7.7 | Functional | Guide to Pharmacology | 407 | 4 | 3 | 6 | 4.3 | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C | 12557151 | ||
2917 | 8936 | 60 | None | 1 | 2 | Rat | 7.7 | pIC50 | = | 7.7 | Functional | Guide to Pharmacology | 407 | 4 | 3 | 6 | 4.3 | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C | 12445827 | ||
2917 | 8936 | 60 | None | 1 | 2 | Rat | 7.7 | pIC50 | = | 7.7 | Functional | Guide to Pharmacology | 407 | 4 | 3 | 6 | 4.3 | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C | 12557151 | ||
CHEMBL1368758 | 8936 | 60 | None | 1 | 2 | Rat | 7.7 | pIC50 | = | 7.7 | Functional | Guide to Pharmacology | 407 | 4 | 3 | 6 | 4.3 | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C | 12445827 | ||
CHEMBL1368758 | 8936 | 60 | None | 1 | 2 | Rat | 7.7 | pIC50 | = | 7.7 | Functional | Guide to Pharmacology | 407 | 4 | 3 | 6 | 4.3 | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C | 12557151 | ||
10223146 | 8936 | 60 | None | -1 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | Guide to Pharmacology | 407 | 4 | 3 | 6 | 4.3 | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C | 12445827 | ||
2917 | 8936 | 60 | None | -1 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | Guide to Pharmacology | 407 | 4 | 3 | 6 | 4.3 | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C | 12445827 | ||
CHEMBL1368758 | 8936 | 60 | None | -1 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | Guide to Pharmacology | 407 | 4 | 3 | 6 | 4.3 | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C | 12445827 | ||
90309142 | 7785 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 550 | 9 | 3 | 5 | 6.8 | Fc1ccc(cc1)Oc1cc(Oc2ccc(cc2)C(C(=O)O)(C)C)cc(c1)NC(=O)N1CCC(C1)(O)CC(C)C | 26794040 | ||
9223 | 7785 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 550 | 9 | 3 | 5 | 6.8 | Fc1ccc(cc1)Oc1cc(Oc2ccc(cc2)C(C(=O)O)(C)C)cc(c1)NC(=O)N1CCC(C1)(O)CC(C)C | 26794040 | ||
CHEMBL3759434 | 7785 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 550 | 9 | 3 | 5 | 6.8 | Fc1ccc(cc1)Oc1cc(Oc2ccc(cc2)C(C(=O)O)(C)C)cc(c1)NC(=O)N1CCC(C1)(O)CC(C)C | 26794040 |
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | |||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
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 |
10883396 | 10421 | 45 | None | -11 | 4 | Human | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/jm100181s | |||
5283560 | 10421 | 45 | None | -11 | 4 | Human | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/jm100181s | |||
911 | 10421 | 45 | None | -11 | 4 | Human | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/jm100181s | |||
CHEMBL225155 | 10421 | 45 | None | -11 | 4 | Human | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/jm100181s | |||
49839234 | 124729 | 1 | None | - | 0 | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 472 | 6 | 3 | 3 | 6.1 | O=C(O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 | 10.1016/j.bmcl.2014.11.089 | |||
CHEMBL3403619 | 124729 | 1 | None | - | 0 | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 472 | 6 | 3 | 3 | 6.1 | O=C(O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 | 10.1016/j.bmcl.2014.11.089 | |||
44398076 | 19672 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 425 | 13 | 5 | 5 | 3.2 | CCCCCCCCc1ccc(-c2c[nH]c(C(N)(CO)COP(=O)(O)O)n2)cc1 | 10.1016/j.bmcl.2005.05.097 | |||
CHEMBL1188968 | 19672 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 425 | 13 | 5 | 5 | 3.2 | CCCCCCCCc1ccc(-c2c[nH]c(C(N)(CO)COP(=O)(O)O)n2)cc1 | 10.1016/j.bmcl.2005.05.097 | |||
CHEMBL537849 | 19672 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 425 | 13 | 5 | 5 | 3.2 | CCCCCCCCc1ccc(-c2c[nH]c(C(N)(CO)COP(=O)(O)O)n2)cc1 | 10.1016/j.bmcl.2005.05.097 | |||
10883396 | 10421 | 45 | None | -11 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2004.07.030 | |||
5283560 | 10421 | 45 | None | -11 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2004.07.030 | |||
911 | 10421 | 45 | None | -11 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2004.07.030 | |||
CHEMBL225155 | 10421 | 45 | None | -11 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2004.07.030 | |||
10883396 | 10421 | 45 | None | -11 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/s0960-894x(03)00812-6 | |||
5283560 | 10421 | 45 | None | -11 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/s0960-894x(03)00812-6 | |||
911 | 10421 | 45 | None | -11 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/s0960-894x(03)00812-6 | |||
CHEMBL225155 | 10421 | 45 | None | -11 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/s0960-894x(03)00812-6 | |||
44392705 | 73440 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 380 | 17 | 4 | 4 | 3.2 | CCCCCCCCCCCCCCNC(=O)[C@H](N)COP(=O)(O)O | 10.1016/s0960-894x(03)00812-6 | |||
9821227 | 73440 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 380 | 17 | 4 | 4 | 3.2 | CCCCCCCCCCCCCCNC(=O)[C@H](N)COP(=O)(O)O | 10.1016/s0960-894x(03)00812-6 | |||
CHEMBL185389 | 73440 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 380 | 17 | 4 | 4 | 3.2 | CCCCCCCCCCCCCCNC(=O)[C@H](N)COP(=O)(O)O | 10.1016/s0960-894x(03)00812-6 | |||
CHEMBL332472 | 73440 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 380 | 17 | 4 | 4 | 3.2 | CCCCCCCCCCCCCCNC(=O)[C@H](N)COP(=O)(O)O | 10.1016/s0960-894x(03)00812-6 | |||
44342244 | 71650 | 3 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 380 | 17 | 4 | 4 | 3.2 | CCCCCCCCCCCCCCNC(=O)[C@@H](N)COP(=O)(O)O | 10.1016/s0960-894x(03)00812-6 | |||
CHEMBL182164 | 71650 | 3 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 380 | 17 | 4 | 4 | 3.2 | CCCCCCCCCCCCCCNC(=O)[C@@H](N)COP(=O)(O)O | 10.1016/s0960-894x(03)00812-6 | |||
CHEMBL423691 | 71650 | 3 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 380 | 17 | 4 | 4 | 3.2 | CCCCCCCCCCCCCCNC(=O)[C@@H](N)COP(=O)(O)O | 10.1016/s0960-894x(03)00812-6 | |||
44342246 | 18184 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 396 | 18 | 4 | 5 | 3.2 | CCCCCCCCCCCCCCONC(=O)[C@@H](N)COP(=O)(O)O | 10.1016/s0960-894x(03)00812-6 | |||
CHEMBL115505 | 18184 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 396 | 18 | 4 | 5 | 3.2 | CCCCCCCCCCCCCCONC(=O)[C@@H](N)COP(=O)(O)O | 10.1016/s0960-894x(03)00812-6 | |||
CHEMBL1180159 | 18184 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 396 | 18 | 4 | 5 | 3.2 | CCCCCCCCCCCCCCONC(=O)[C@@H](N)COP(=O)(O)O | 10.1016/s0960-894x(03)00812-6 | |||
10883396 | 10421 | 45 | None | -11 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2005.05.097 | |||
5283560 | 10421 | 45 | None | -11 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2005.05.097 | |||
911 | 10421 | 45 | None | -11 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2005.05.097 | |||
CHEMBL225155 | 10421 | 45 | None | -11 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2005.05.097 | |||
10883396 | 10421 | 45 | None | -11 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/s0960-894x(03)00812-6 | |||
5283560 | 10421 | 45 | None | -11 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/s0960-894x(03)00812-6 | |||
911 | 10421 | 45 | None | -11 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/s0960-894x(03)00812-6 | |||
CHEMBL225155 | 10421 | 45 | None | -11 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/s0960-894x(03)00812-6 | |||
44342221 | 18865 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 352 | 15 | 4 | 4 | 2.5 | CCCCCCCCCCCCNC(=O)[C@@H](N)COP(=O)(O)O | 10.1016/s0960-894x(03)00812-6 | |||
CHEMBL1183918 | 18865 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 352 | 15 | 4 | 4 | 2.5 | CCCCCCCCCCCCNC(=O)[C@@H](N)COP(=O)(O)O | 10.1016/s0960-894x(03)00812-6 | |||
CHEMBL324358 | 18865 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 352 | 15 | 4 | 4 | 2.5 | CCCCCCCCCCCCNC(=O)[C@@H](N)COP(=O)(O)O | 10.1016/s0960-894x(03)00812-6 | |||
10883396 | 10421 | 45 | None | -11 | 4 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2004.02.106 | |||
5283560 | 10421 | 45 | None | -11 | 4 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2004.02.106 | |||
911 | 10421 | 45 | None | -11 | 4 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2004.02.106 | |||
CHEMBL225155 | 10421 | 45 | None | -11 | 4 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2004.02.106 | |||
10883396 | 10421 | 45 | None | -11 | 4 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/jm0492507 | |||
5283560 | 10421 | 45 | None | -11 | 4 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/jm0492507 | |||
911 | 10421 | 45 | None | -11 | 4 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/jm0492507 | |||
CHEMBL225155 | 10421 | 45 | None | -11 | 4 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/jm0492507 | |||
11725751 | 19619 | 5 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.6 | CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
11725751 | 19619 | 5 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.6 | CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL118860 | 19619 | 5 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.6 | CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL118860 | 19619 | 5 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.6 | CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
2924 | 8421 | 43 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2004.02.106 | |||
44398069 | 8421 | 43 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2004.02.106 | |||
9908268 | 8421 | 43 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2004.02.106 | |||
CHEMBL114606 | 8421 | 43 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2004.02.106 | |||
24812110 | 17522 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 373 | 13 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(CCC(N)(CO)OP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL117130 | 17522 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 373 | 13 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(CCC(N)(CO)OP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
10309462 | 20404 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 385 | 14 | 3 | 3 | 4.7 | CCCCCCCCOc1c(C)cc(CNCCCP(=O)(O)O)cc1C | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL119440 | 20404 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 385 | 14 | 3 | 3 | 4.7 | CCCCCCCCOc1c(C)cc(CNCCCP(=O)(O)O)cc1C | 10.1016/j.bmcl.2004.04.070 | |||
10151146 | 19983 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 425 | 14 | 3 | 3 | 5.4 | CCCCCCCCOc1c(Cl)cc(CNCCCP(=O)(O)O)cc1Cl | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL119116 | 19983 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 425 | 14 | 3 | 3 | 5.4 | CCCCCCCCOc1c(Cl)cc(CNCCCP(=O)(O)O)cc1Cl | 10.1016/j.bmcl.2004.04.070 | |||
44344298 | 20316 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 395 | 13 | 3 | 6 | 3.0 | CCCCCCCn1nnc(-c2ccc(CNCCCP(=O)(O)O)cc2)n1 | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL119382 | 20316 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 395 | 13 | 3 | 6 | 3.0 | CCCCCCCn1nnc(-c2ccc(CNCCCP(=O)(O)O)cc2)n1 | 10.1016/j.bmcl.2004.04.070 | |||
10311227 | 176112 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 493 | 17 | 3 | 4 | 5.6 | CCCCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL441826 | 176112 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 493 | 17 | 3 | 4 | 5.6 | CCCCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
10126584 | 20367 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 391 | 14 | 3 | 3 | 4.7 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1Cl | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL119413 | 20367 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 391 | 14 | 3 | 3 | 4.7 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1Cl | 10.1016/j.bmcl.2004.04.070 | |||
10172546 | 121221 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 371 | 15 | 3 | 3 | 4.5 | CCCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL333335 | 121221 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 371 | 15 | 3 | 3 | 4.5 | CCCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
44344270 | 116893 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 395 | 13 | 3 | 5 | 3.9 | CCCCCCCc1nc(-c2ccc(CNCCCP(=O)(O)O)cc2)no1 | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL323617 | 116893 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 395 | 13 | 3 | 5 | 3.9 | CCCCCCCc1nc(-c2ccc(CNCCCP(=O)(O)O)cc2)no1 | 10.1016/j.bmcl.2004.04.070 | |||
10150372 | 119685 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 371 | 14 | 3 | 3 | 4.4 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1C | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL331054 | 119685 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 371 | 14 | 3 | 3 | 4.4 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1C | 10.1016/j.bmcl.2004.04.070 | |||
10150171 | 174788 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 357 | 13 | 3 | 3 | 4.0 | CCCCCCCCc1ccc(CCC(N)COP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
CHEMBL432067 | 174788 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 357 | 13 | 3 | 3 | 4.0 | CCCCCCCCc1ccc(CCC(N)COP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
10174548 | 19573 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 507 | 18 | 3 | 4 | 6.0 | CCCCCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL118815 | 19573 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 507 | 18 | 3 | 4 | 6.0 | CCCCCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
10223146 | 8936 | 60 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 407 | 4 | 3 | 6 | 4.3 | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C | 10.1016/j.bmcl.2015.02.029 | |||
2917 | 8936 | 60 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 407 | 4 | 3 | 6 | 4.3 | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C | 10.1016/j.bmcl.2015.02.029 | |||
CHEMBL1368758 | 8936 | 60 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 407 | 4 | 3 | 6 | 4.3 | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C | 10.1016/j.bmcl.2015.02.029 | |||
10127776 | 17825 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 465 | 15 | 3 | 4 | 4.9 | CCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL117723 | 17825 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 465 | 15 | 3 | 4 | 4.9 | CCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
10172338 | 117324 | 3 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 355 | 13 | 3 | 2 | 4.4 | CCCCCCCCc1ccc(CCC(N)CCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL325198 | 117324 | 3 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 355 | 13 | 3 | 2 | 4.4 | CCCCCCCCc1ccc(CCC(N)CCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
10172338 | 117324 | 3 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 355 | 13 | 3 | 2 | 4.4 | CCCCCCCCc1ccc(CCC(N)CCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
CHEMBL325198 | 117324 | 3 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 355 | 13 | 3 | 2 | 4.4 | CCCCCCCCc1ccc(CCC(N)CCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
10125714 | 117294 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 319 | 13 | 2 | 2 | 4.7 | CCCCCCCCc1ccc(CCC(N)CCC(=O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
CHEMBL325050 | 117294 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 319 | 13 | 2 | 2 | 4.7 | CCCCCCCCc1ccc(CCC(N)CCC(=O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
CHEMBL5088715 | 221950 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | None | None | None | COc1cc(OC)c(NC(=O)Cc2cn(CC(=O)O)c3ccccc23)cc1Cl | 10.1021/acs.jmedchem.1c01066 | |||||
44344404 | 18133 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 349 | 18 | 3 | 2 | 5.2 | CCCCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL117973 | 18133 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 349 | 18 | 3 | 2 | 5.2 | CCCCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
10287091 | 17373 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 371 | 14 | 4 | 3 | 4.1 | CCCCCCCCC(O)c1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL117007 | 17373 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 371 | 14 | 4 | 3 | 4.1 | CCCCCCCCC(O)c1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
44344456 | 17415 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.6 | NC(CCCCCCCCCCc1ccccc1)CCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL117031 | 17415 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.6 | NC(CCCCCCCCCCc1ccccc1)CCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
24812110 | 17522 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 373 | 13 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(CCC(N)(CO)OP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL117130 | 17522 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 373 | 13 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(CCC(N)(CO)OP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
2924 | 8421 | 43 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/jm0492507 | |||
44398069 | 8421 | 43 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/jm0492507 | |||
9908268 | 8421 | 43 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/jm0492507 | |||
CHEMBL114606 | 8421 | 43 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/jm0492507 | |||
46905530 | 17064 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 389 | 14 | 5 | 6 | 2.6 | CCCCCCCCc1ccc(CCC(N)(CO)CO[PH](O)(O)O)cc1 | 10.1016/j.bmcl.2004.07.049 | |||
CHEMBL1161691 | 17064 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 389 | 14 | 5 | 6 | 2.6 | CCCCCCCCc1ccc(CCC(N)(CO)CO[PH](O)(O)O)cc1 | 10.1016/j.bmcl.2004.07.049 | |||
21455530 | 16914 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 363 | 19 | 3 | 2 | 5.6 | CCCCCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL115738 | 16914 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 363 | 19 | 3 | 2 | 5.6 | CCCCCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
10126736 | 117265 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 401 | 16 | 3 | 4 | 4.5 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1OCC | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL324820 | 117265 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 401 | 16 | 3 | 4 | 4.5 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1OCC | 10.1016/j.bmcl.2004.04.070 | |||
10125861 | 19972 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 335 | 16 | 3 | 2 | 5.0 | CCCCCCCCCCCCCCC(N)CCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL119110 | 19972 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 335 | 16 | 3 | 2 | 5.0 | CCCCCCCCCCCCCCC(N)CCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
23071856 | 124461 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 414 | 7 | 2 | 3 | 5.8 | CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccc(F)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | |||
CHEMBL3401375 | 124461 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 414 | 7 | 2 | 3 | 5.8 | CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccc(F)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | |||
164622777 | 192599 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 391 | 4 | 3 | 6 | 3.6 | Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cnn(C)c1 | 10.1021/acs.jmedchem.1c00138 | |||
CHEMBL4867313 | 192599 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 391 | 4 | 3 | 6 | 3.6 | Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cnn(C)c1 | 10.1021/acs.jmedchem.1c00138 | |||
44344193 | 121690 | 5 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 335 | 17 | 3 | 2 | 4.8 | CCCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL334213 | 121690 | 5 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 335 | 17 | 3 | 2 | 4.8 | CCCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
118728430 | 124470 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 549 | 10 | 3 | 5 | 6.7 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3cccc(C(N)=O)c3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | |||
CHEMBL3401384 | 124470 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 549 | 10 | 3 | 5 | 6.7 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3cccc(C(N)=O)c3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | |||
155317265 | 178089 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 600 | 10 | 2 | 6 | 7.4 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Sc3ccc(S(C)(=O)=O)cc3)c2)CC1 | 10.1016/j.bmc.2019.06.047 | |||
CHEMBL4461033 | 178089 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 600 | 10 | 2 | 6 | 7.4 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Sc3ccc(S(C)(=O)=O)cc3)c2)CC1 | 10.1016/j.bmc.2019.06.047 | |||
44344360 | 17018 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 339 | 14 | 3 | 3 | 4.8 | CCCCCCCCCc1ccc(CNCCCP(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL1160958 | 17018 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 339 | 14 | 3 | 3 | 4.8 | CCCCCCCCCc1ccc(CNCCCP(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
118728427 | 124464 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 458 | 9 | 2 | 4 | 6.2 | CCOc1cc(NC(=O)N2CCC(O)(CC(CC)CC)CC2)cc(Oc2ccc(F)cc2)c1 | 10.1016/j.bmcl.2015.02.029 | |||
CHEMBL3401378 | 124464 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 458 | 9 | 2 | 4 | 6.2 | CCOc1cc(NC(=O)N2CCC(O)(CC(CC)CC)CC2)cc(Oc2ccc(F)cc2)c1 | 10.1016/j.bmcl.2015.02.029 | |||
44344194 | 18688 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 321 | 16 | 3 | 2 | 4.5 | CCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL118265 | 18688 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 321 | 16 | 3 | 2 | 4.5 | CCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
44344270 | 116893 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 395 | 13 | 3 | 5 | 3.9 | CCCCCCCc1nc(-c2ccc(CNCCCP(=O)(O)O)cc2)no1 | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL323617 | 116893 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 395 | 13 | 3 | 5 | 3.9 | CCCCCCCc1nc(-c2ccc(CNCCCP(=O)(O)O)cc2)no1 | 10.1016/j.bmcl.2004.04.070 | |||
10216035 | 17807 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 391 | 20 | 3 | 2 | 6.5 | CCCCCCCCCCCCCCCCCCC(N)CCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL117569 | 17807 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 391 | 20 | 3 | 2 | 6.5 | CCCCCCCCCCCCCCCCCCC(N)CCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
155317223 | 197175 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 474 | 7 | 1 | 8 | 1.6 | COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)N(C)C)c(=O)c3ccccc32)cc1Cl | 10.1039/d1md00357g | |||
CHEMBL5177583 | 197175 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 474 | 7 | 1 | 8 | 1.6 | COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)N(C)C)c(=O)c3ccccc32)cc1Cl | 10.1039/d1md00357g | |||
155317227 | 178014 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 536 | 10 | 2 | 5 | 7.6 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(OC)cc3)c2)CC1 | 10.1016/j.bmc.2019.06.047 | |||
CHEMBL4459775 | 178014 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 536 | 10 | 2 | 5 | 7.6 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(OC)cc3)c2)CC1 | 10.1016/j.bmc.2019.06.047 | |||
44344210 | 20579 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 307 | 15 | 3 | 2 | 4.1 | CCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL119562 | 20579 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 307 | 15 | 3 | 2 | 4.1 | CCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
10173002 | 174884 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 401 | 15 | 3 | 4 | 4.4 | CCCCCCCCOc1c(C)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL432813 | 174884 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 401 | 15 | 3 | 4 | 4.4 | CCCCCCCCOc1c(C)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
164616769 | 191612 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 405 | 4 | 3 | 6 | 3.9 | Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | |||
CHEMBL4852127 | 191612 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 405 | 4 | 3 | 6 | 3.9 | Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cn(C)nc1C | 10.1021/acs.jmedchem.1c00138 | |||
155317243 | 180781 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 567 | 10 | 3 | 5 | 6.5 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NCCF)cc3)c2)CC1 | 10.1016/j.bmc.2019.06.047 | |||
CHEMBL4542538 | 180781 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 567 | 10 | 3 | 5 | 6.5 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NCCF)cc3)c2)CC1 | 10.1016/j.bmc.2019.06.047 | |||
10193915 | 20957 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 375 | 14 | 3 | 3 | 4.2 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1F | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL119873 | 20957 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 375 | 14 | 3 | 3 | 4.2 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1F | 10.1016/j.bmcl.2004.04.070 | |||
10287365 | 17345 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 389 | 12 | 3 | 2 | 5.1 | CCCCCCc1ccc(-c2ccc(CNCCCP(=O)(O)O)cc2)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL116981 | 17345 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 389 | 12 | 3 | 2 | 5.1 | CCCCCCc1ccc(-c2ccc(CNCCCP(=O)(O)O)cc2)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
155317252 | 198176 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 538 | 8 | 3 | 9 | 2.8 | COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)Nc3ccc(O)cc3)c(=O)c3ccccc32)cc1Cl | 10.1039/d1md00357g | |||
CHEMBL5192525 | 198176 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 538 | 8 | 3 | 9 | 2.8 | COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)Nc3ccc(O)cc3)c(=O)c3ccccc32)cc1Cl | 10.1039/d1md00357g | |||
10310253 | 20278 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 435 | 14 | 3 | 3 | 4.8 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1Br | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL119354 | 20278 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 435 | 14 | 3 | 3 | 4.8 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1Br | 10.1016/j.bmcl.2004.04.070 | |||
10193676 | 20511 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 355 | 14 | 2 | 2 | 5.2 | CCCCCCCCCc1ccc(CNCCC(F)(F)C(=O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL119516 | 20511 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 355 | 14 | 2 | 2 | 5.2 | CCCCCCCCCc1ccc(CNCCC(F)(F)C(=O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
10236683 | 174870 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 319 | 14 | 2 | 2 | 4.9 | CCCCCCCCCc1ccc(CNCCCC(=O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL432632 | 174870 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 319 | 14 | 2 | 2 | 4.9 | CCCCCCCCCc1ccc(CNCCCC(=O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
44344338 | 20154 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 369 | 15 | 3 | 2 | 4.7 | CCCCCCCc1ccc(CCCCNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL119257 | 20154 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 369 | 15 | 3 | 2 | 4.7 | CCCCCCCc1ccc(CCCCNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL5094933 | 222301 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | COc1cc(OC)c(NC(=O)Cn2nc(CC(=O)O)c3ccccc32)cc1Cl | 10.1021/acs.jmedchem.1c01066 | |||||
155317277 | 197193 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 578 | 15 | 3 | 11 | 0.6 | COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)NCCOCCOCCO)c(=O)c3ccccc32)cc1Cl | 10.1039/d1md00357g | |||
CHEMBL5177879 | 197193 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 578 | 15 | 3 | 11 | 0.6 | COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)NCCOCCOCCO)c(=O)c3ccccc32)cc1Cl | 10.1039/d1md00357g | |||
44344456 | 17415 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.6 | NC(CCCCCCCCCCc1ccccc1)CCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL117031 | 17415 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.6 | NC(CCCCCCCCCCc1ccccc1)CCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
44344412 | 20126 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.3 | CCCCCCCc1ccc(CCCNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL119233 | 20126 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.3 | CCCCCCCc1ccc(CCCNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
44394116 | 73124 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 349 | 17 | 2 | 2 | 5.2 | CCCCCCCCCCCCCCN(C)CCCP(=O)(O)O | 10.1016/j.bmcl.2004.07.049 | |||
CHEMBL185100 | 73124 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 349 | 17 | 2 | 2 | 5.2 | CCCCCCCCCCCCCCN(C)CCCP(=O)(O)O | 10.1016/j.bmcl.2004.07.049 | |||
10271422 | 16709 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 385 | 14 | 4 | 3 | 3.8 | CCCCCCCCc1ccc(CCC(N)(CO)CCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
CHEMBL114584 | 16709 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 385 | 14 | 4 | 3 | 3.8 | CCCCCCCCc1ccc(CCC(N)(CO)CCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
44344298 | 20316 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 395 | 13 | 3 | 6 | 3.0 | CCCCCCCn1nnc(-c2ccc(CNCCCP(=O)(O)O)cc2)n1 | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL119382 | 20316 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 395 | 13 | 3 | 6 | 3.0 | CCCCCCCn1nnc(-c2ccc(CNCCCP(=O)(O)O)cc2)n1 | 10.1016/j.bmcl.2004.04.070 | |||
10287343 | 19091 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 387 | 15 | 3 | 4 | 4.1 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL118508 | 19091 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 387 | 15 | 3 | 4 | 4.1 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
10172545 | 16397 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 371 | 13 | 4 | 3 | 3.4 | CCCCCCCCc1ccc(CCC(N)C(O)CP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
CHEMBL112655 | 16397 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 371 | 13 | 4 | 3 | 3.4 | CCCCCCCCc1ccc(CCC(N)C(O)CP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
54587490 | 69243 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 419 | 6 | 2 | 4 | 5.5 | Cc1cc(OCCO)cc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 | 10.1016/j.bmcl.2011.04.097 | |||
CHEMBL1779905 | 69243 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 419 | 6 | 2 | 4 | 5.5 | Cc1cc(OCCO)cc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 | 10.1016/j.bmcl.2011.04.097 | |||
44394212 | 73944 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 373 | 15 | 2 | 2 | 6.5 | CCCCCCCCCCCCCC1CCCC(CCP(C)(=O)O)N1 | 10.1016/j.bmcl.2004.07.049 | |||
CHEMBL187692 | 73944 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 373 | 15 | 2 | 2 | 6.5 | CCCCCCCCCCCCCC1CCCC(CCP(C)(=O)O)N1 | 10.1016/j.bmcl.2004.07.049 | |||
54583567 | 69251 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 311 | 3 | 1 | 3 | 5.2 | Cc1ccsc1-c1ccc(C(=O)Nc2c(C)cccc2C)o1 | 10.1016/j.bmcl.2011.04.097 | |||
CHEMBL1779916 | 69251 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 311 | 3 | 1 | 3 | 5.2 | Cc1ccsc1-c1ccc(C(=O)Nc2c(C)cccc2C)o1 | 10.1016/j.bmcl.2011.04.097 | |||
44341466 | 16786 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 371 | 13 | 4 | 3 | 3.7 | CCCCCCCCc1ccc(CC[C@H](N)C[C@@H](O)P(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
CHEMBL114976 | 16786 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 371 | 13 | 4 | 3 | 3.7 | CCCCCCCCc1ccc(CC[C@H](N)C[C@@H](O)P(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
155317220 | 182907 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 542 | 8 | 2 | 5 | 6.1 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2019.06.047 | |||
CHEMBL4592049 | 182907 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 542 | 8 | 2 | 5 | 6.1 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2019.06.047 | |||
155317230 | 178502 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 521 | 8 | 3 | 4 | 6.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(C(=O)NC)cc3)cc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2019.06.047 | |||
CHEMBL4466980 | 178502 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 521 | 8 | 3 | 4 | 6.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(C(=O)NC)cc3)cc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2019.06.047 | |||
54582606 | 69232 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 389 | 4 | 1 | 3 | 6.1 | COc1cc(C)c(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c(C)c1 | 10.1016/j.bmcl.2011.04.097 | |||
CHEMBL1779894 | 69232 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 389 | 4 | 1 | 3 | 6.1 | COc1cc(C)c(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c(C)c1 | 10.1016/j.bmcl.2011.04.097 | |||
54582607 | 69233 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 375 | 3 | 2 | 3 | 5.8 | Cc1cc(O)cc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 | 10.1016/j.bmcl.2011.04.097 | |||
CHEMBL1779895 | 69233 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 375 | 3 | 2 | 3 | 5.8 | Cc1cc(O)cc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 | 10.1016/j.bmcl.2011.04.097 | |||
155322874 | 199047 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 507 | 8 | 1 | 8 | 3.4 | COc1ccc(C(=O)Cn2c(=O)n(CC(=O)Nc3ccccc3OC)c(=O)c3ccccc32)cc1Cl | 10.1039/d1md00357g | |||
CHEMBL5205671 | 199047 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 507 | 8 | 1 | 8 | 3.4 | COc1ccc(C(=O)Cn2c(=O)n(CC(=O)Nc3ccccc3OC)c(=O)c3ccccc32)cc1Cl | 10.1039/d1md00357g | |||
145976329 | 170462 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 431 | 6 | 3 | 7 | 4.4 | Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(OC(C)C)c3)cc(C(C)C)c12 | 10.1016/j.bmcl.2017.12.010 | |||
CHEMBL4204756 | 170462 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 431 | 6 | 3 | 7 | 4.4 | Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(OC(C)C)c3)cc(C(C)C)c12 | 10.1016/j.bmcl.2017.12.010 | |||
155317229 | 178195 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 575 | 9 | 3 | 5 | 6.9 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc4c(c3)CCNC4=O)c2)CC1 | 10.1016/j.bmc.2019.06.047 | |||
CHEMBL4462730 | 178195 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 575 | 9 | 3 | 5 | 6.9 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc4c(c3)CCNC4=O)c2)CC1 | 10.1016/j.bmc.2019.06.047 | |||
155317247 | 180386 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 514 | 6 | 2 | 5 | 5.3 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2019.06.047 | |||
CHEMBL4533520 | 180386 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 514 | 6 | 2 | 5 | 5.3 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2019.06.047 | |||
10289318 | 120804 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 513 | 14 | 3 | 3 | 5.6 | CCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1Br | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL332667 | 120804 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 513 | 14 | 3 | 3 | 5.6 | CCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1Br | 10.1016/j.bmcl.2004.04.070 | |||
90309040 | 124472 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 563 | 10 | 3 | 5 | 7.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NC)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | |||
CHEMBL3401386 | 124472 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 563 | 10 | 3 | 5 | 7.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NC)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | |||
10883396 | 10421 | 45 | None | -11 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1039/d1md00357g | |||
5283560 | 10421 | 45 | None | -11 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1039/d1md00357g | |||
911 | 10421 | 45 | None | -11 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1039/d1md00357g | |||
CHEMBL225155 | 10421 | 45 | None | -11 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1039/d1md00357g | |||
10883396 | 10421 | 45 | None | -11 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2017.12.010 | |||
5283560 | 10421 | 45 | None | -11 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2017.12.010 | |||
911 | 10421 | 45 | None | -11 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2017.12.010 | |||
CHEMBL225155 | 10421 | 45 | None | -11 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2017.12.010 | |||
89484779 | 124469 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 549 | 10 | 3 | 5 | 6.7 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | |||
CHEMBL3401383 | 124469 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 549 | 10 | 3 | 5 | 6.7 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | |||
89484779 | 124469 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 549 | 10 | 3 | 5 | 6.7 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1 | 10.1016/j.bmcl.2015.09.022 | |||
CHEMBL3401383 | 124469 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 549 | 10 | 3 | 5 | 6.7 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1 | 10.1016/j.bmcl.2015.09.022 | |||
10174181 | 18041 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 479 | 16 | 3 | 4 | 5.2 | CCCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL117910 | 18041 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 479 | 16 | 3 | 4 | 5.2 | CCCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
164616041 | 192152 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 383 | 5 | 3 | 6 | 3.4 | CCOC(=O)c1cc(C)cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)n1 | 10.1021/acs.jmedchem.1c00138 | |||
CHEMBL4860509 | 192152 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 383 | 5 | 3 | 6 | 3.4 | CCOC(=O)c1cc(C)cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)n1 | 10.1021/acs.jmedchem.1c00138 | |||
51000470 | 69228 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 389 | 4 | 2 | 3 | 5.6 | Cc1cc(CO)cc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 | 10.1016/j.bmcl.2011.04.097 | |||
CHEMBL1779890 | 69228 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 389 | 4 | 2 | 3 | 5.6 | Cc1cc(CO)cc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 | 10.1016/j.bmcl.2011.04.097 | |||
CHEMBL5076177 | 221197 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | COc1cc(OC)c(NC(=O)Cc2nn(CC(=O)O)c(=O)c3ccccc23)cc1Cl | 10.1021/acs.jmedchem.1c01066 | |||||
11725751 | 19619 | 5 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.6 | CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.07.049 | |||
CHEMBL118860 | 19619 | 5 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.6 | CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.07.049 | |||
10384596 | 16908 | 2 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 371 | 13 | 4 | 3 | 3.7 | CCCCCCCCc1ccc(CC[C@@H](N)C[C@H](O)P(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
CHEMBL115713 | 16908 | 2 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 371 | 13 | 4 | 3 | 3.7 | CCCCCCCCc1ccc(CC[C@@H](N)C[C@H](O)P(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
44394279 | 73924 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 375 | 16 | 3 | 2 | 5.8 | CCCCCCCCCCCCCC[C@H]1CC[C@H](CCP(=O)(O)O)N1 | 10.1016/j.bmcl.2004.07.049 | |||
CHEMBL187588 | 73924 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 375 | 16 | 3 | 2 | 5.8 | CCCCCCCCCCCCCC[C@H]1CC[C@H](CCP(=O)(O)O)N1 | 10.1016/j.bmcl.2004.07.049 | |||
10149595 | 117909 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 305 | 12 | 2 | 2 | 4.3 | CCCCCCCCc1ccc(CCC(N)CC(=O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
CHEMBL326346 | 117909 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 305 | 12 | 2 | 2 | 4.3 | CCCCCCCCc1ccc(CCC(N)CC(=O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
10287365 | 17345 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 389 | 12 | 3 | 2 | 5.1 | CCCCCCc1ccc(-c2ccc(CNCCCP(=O)(O)O)cc2)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL116981 | 17345 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 389 | 12 | 3 | 2 | 5.1 | CCCCCCc1ccc(-c2ccc(CNCCCP(=O)(O)O)cc2)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
155317248 | 177071 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 493 | 6 | 3 | 4 | 5.3 | CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC(C)C)CC3)cc(C(F)(F)F)c2)cc1 | 10.1016/j.bmc.2019.06.047 | |||
CHEMBL4446396 | 177071 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 493 | 6 | 3 | 4 | 5.3 | CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC(C)C)CC3)cc(C(F)(F)F)c2)cc1 | 10.1016/j.bmc.2019.06.047 | |||
155317275 | 176446 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 482 | 7 | 2 | 3 | 6.8 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2019.06.047 | |||
CHEMBL4437497 | 176446 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 482 | 7 | 2 | 3 | 6.8 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2019.06.047 | |||
155317215 | 199028 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 460 | 7 | 2 | 8 | 1.2 | CNC(=O)Cn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)c(OC)cc2OC)c1=O | 10.1039/d1md00357g | |||
CHEMBL5205389 | 199028 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 460 | 7 | 2 | 8 | 1.2 | CNC(=O)Cn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)c(OC)cc2OC)c1=O | 10.1039/d1md00357g | |||
CHEMBL5071275 | 221034 | 6 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | COc1cc(OC)c(NC(=O)Cc2cn(C)c3ccccc23)cc1Cl | 10.1021/acs.jmedchem.1c01066 | |||||
44344194 | 18688 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 321 | 16 | 3 | 2 | 4.5 | CCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL118265 | 18688 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 321 | 16 | 3 | 2 | 4.5 | CCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
155317261 | 180646 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 572 | 8 | 2 | 6 | 6.6 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Sc3ccc(S(C)(=O)=O)cc3)c2)CC1 | 10.1016/j.bmc.2019.06.047 | |||
CHEMBL4539520 | 180646 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 572 | 8 | 2 | 6 | 6.6 | CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Sc3ccc(S(C)(=O)=O)cc3)c2)CC1 | 10.1016/j.bmc.2019.06.047 | |||
155317260 | 197249 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 552 | 9 | 2 | 9 | 3.1 | COc1cccc(NC(=O)Cn2c(=O)c3ccccc3n(CC(=O)Nc3cc(Cl)c(OC)cc3OC)c2=O)c1 | 10.1039/d1md00357g | |||
CHEMBL5178835 | 197249 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 552 | 9 | 2 | 9 | 3.1 | COc1cccc(NC(=O)Cn2c(=O)c3ccccc3n(CC(=O)Nc3cc(Cl)c(OC)cc3OC)c2=O)c1 | 10.1039/d1md00357g | |||
118728434 | 124476 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 507 | 9 | 2 | 5 | 7.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccccn3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | |||
CHEMBL3401390 | 124476 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 507 | 9 | 2 | 5 | 7.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccccn3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | |||
10312 | 8077 | 27 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 388 | 4 | 2 | 3 | 5.6 | NCc1cc(C)c(c(c1)C)NC(=O)c1ccc(o1)c1cc(Cl)ccc1Cl | 10.1016/j.bmcl.2011.04.097 | |||
53358422 | 8077 | 27 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 388 | 4 | 2 | 3 | 5.6 | NCc1cc(C)c(c(c1)C)NC(=O)c1ccc(o1)c1cc(Cl)ccc1Cl | 10.1016/j.bmcl.2011.04.097 | |||
CHEMBL1779732 | 8077 | 27 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 388 | 4 | 2 | 3 | 5.6 | NCc1cc(C)c(c(c1)C)NC(=O)c1ccc(o1)c1cc(Cl)ccc1Cl | 10.1016/j.bmcl.2011.04.097 | |||
10172513 | 16954 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 369 | 14 | 3 | 3 | 4.3 | CCCCCCCCC(=O)c1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL115970 | 16954 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 369 | 14 | 3 | 3 | 4.3 | CCCCCCCCC(=O)c1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
90308914 | 124468 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 585 | 10 | 3 | 6 | 6.2 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(S(N)(=O)=O)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | |||
CHEMBL3401382 | 124468 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 585 | 10 | 3 | 6 | 6.2 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(S(N)(=O)=O)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | |||
10384596 | 16908 | 2 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 371 | 13 | 4 | 3 | 3.7 | CCCCCCCCc1ccc(CC[C@@H](N)C[C@H](O)P(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL115713 | 16908 | 2 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 371 | 13 | 4 | 3 | 3.7 | CCCCCCCCc1ccc(CC[C@@H](N)C[C@H](O)P(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
44341276 | 16878 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 371 | 13 | 4 | 3 | 3.7 | CCCCCCCCc1ccc(CC[C@@H](N)C[C@@H](O)P(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
CHEMBL115554 | 16878 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 371 | 13 | 4 | 3 | 3.7 | CCCCCCCCc1ccc(CC[C@@H](N)C[C@@H](O)P(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
155322888 | 198679 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 538 | 8 | 3 | 9 | 2.8 | COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)Nc3ccccc3O)c(=O)c3ccccc32)cc1Cl | 10.1039/d1md00357g | |||
CHEMBL5199972 | 198679 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 538 | 8 | 3 | 9 | 2.8 | COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)Nc3ccccc3O)c(=O)c3ccccc32)cc1Cl | 10.1039/d1md00357g | |||
59317699 | 197644 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 490 | 9 | 3 | 9 | 0.6 | COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)NCCO)c(=O)c3ccccc32)cc1Cl | 10.1039/d1md00357g | |||
CHEMBL5184621 | 197644 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 490 | 9 | 3 | 9 | 0.6 | COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)NCCO)c(=O)c3ccccc32)cc1Cl | 10.1039/d1md00357g | |||
10309271 | 20130 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 373 | 14 | 4 | 4 | 3.8 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1O | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL119239 | 20130 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 373 | 14 | 4 | 4 | 3.8 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1O | 10.1016/j.bmcl.2004.04.070 | |||
44344412 | 20126 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.3 | CCCCCCCc1ccc(CCCNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL119233 | 20126 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.3 | CCCCCCCc1ccc(CCCNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
44394191 | 73083 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 381 | 12 | 3 | 2 | 5.3 | CCCCCCCCCc1ccc(C2CCC(CCP(=O)(O)O)N2)cc1 | 10.1016/j.bmcl.2004.07.049 | |||
CHEMBL184879 | 73083 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 381 | 12 | 3 | 2 | 5.3 | CCCCCCCCCc1ccc(C2CCC(CCP(=O)(O)O)N2)cc1 | 10.1016/j.bmcl.2004.07.049 | |||
71547555 | 130348 | 1 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 560 | 7 | 3 | 5 | 6.8 | O=C(O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1016/j.bmcl.2015.09.022 | |||
CHEMBL3618201 | 130348 | 1 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 560 | 7 | 3 | 5 | 6.8 | O=C(O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1016/j.bmcl.2015.09.022 | |||
10309022 | 16809 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 355 | 13 | 2 | 3 | 4.1 | CCCCCCCCc1ccc(CCC(N)CCS(=O)(=O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
CHEMBL115131 | 16809 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 355 | 13 | 2 | 3 | 4.1 | CCCCCCCCc1ccc(CCC(N)CCS(=O)(=O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
44344413 | 117322 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.3 | CCCCCCCCc1ccc(CCNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL325193 | 117322 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.3 | CCCCCCCCc1ccc(CCNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
90309524 | 124467 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 584 | 10 | 2 | 6 | 7.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(S(C)(=O)=O)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | |||
CHEMBL3401381 | 124467 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 584 | 10 | 2 | 6 | 7.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(S(C)(=O)=O)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | |||
118728432 | 124474 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 507 | 9 | 2 | 5 | 7.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccncc3)cc(Oc3ccc(F)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | |||
CHEMBL3401388 | 124474 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 507 | 9 | 2 | 5 | 7.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccncc3)cc(Oc3ccc(F)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | |||
44344446 | 121599 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 349 | 17 | 3 | 2 | 5.4 | CCCCCCCCCCCCCCCC(N)CCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL334144 | 121599 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 349 | 17 | 3 | 2 | 5.4 | CCCCCCCCCCCCCCCC(N)CCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
10172354 | 120563 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 357 | 14 | 3 | 3 | 4.1 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL332373 | 120563 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 357 | 14 | 3 | 3 | 4.1 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
10193915 | 20957 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 375 | 14 | 3 | 3 | 4.2 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1F | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL119873 | 20957 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 375 | 14 | 3 | 3 | 4.2 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1F | 10.1016/j.bmcl.2004.04.070 | |||
90309100 | 124471 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 549 | 10 | 3 | 5 | 6.7 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccccc3C(N)=O)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | |||
CHEMBL3401385 | 124471 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 549 | 10 | 3 | 5 | 6.7 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccccc3C(N)=O)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | |||
155322952 | 198624 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 521 | 9 | 1 | 8 | 3.7 | CCOc1ccc(C(=O)Cn2c(=O)n(CC(=O)Nc3ccccc3OC)c(=O)c3ccccc32)cc1Cl | 10.1039/d1md00357g | |||
CHEMBL5199020 | 198624 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 521 | 9 | 1 | 8 | 3.7 | CCOc1ccc(C(=O)Cn2c(=O)n(CC(=O)Nc3ccccc3OC)c(=O)c3ccccc32)cc1Cl | 10.1039/d1md00357g | |||
11725751 | 19619 | 5 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.6 | CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL118860 | 19619 | 5 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.6 | CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
10149985 | 20151 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 341 | 13 | 3 | 2 | 4.2 | CCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL119256 | 20151 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 341 | 13 | 3 | 2 | 4.2 | CCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
155317268 | 197622 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 552 | 9 | 2 | 9 | 3.1 | COc1ccc(NC(=O)Cn2c(=O)c3ccccc3n(CC(=O)Nc3cc(Cl)c(OC)cc3OC)c2=O)cc1 | 10.1039/d1md00357g | |||
CHEMBL5184379 | 197622 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 552 | 9 | 2 | 9 | 3.1 | COc1ccc(NC(=O)Cn2c(=O)c3ccccc3n(CC(=O)Nc3cc(Cl)c(OC)cc3OC)c2=O)cc1 | 10.1039/d1md00357g | |||
118728425 | 124462 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 428 | 7 | 2 | 3 | 6.1 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(C)cc(Oc3ccc(F)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | |||
CHEMBL3401376 | 124462 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 428 | 7 | 2 | 3 | 6.1 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(C)cc(Oc3ccc(F)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | |||
90309142 | 7785 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 550 | 9 | 3 | 5 | 6.8 | Fc1ccc(cc1)Oc1cc(Oc2ccc(cc2)C(C(=O)O)(C)C)cc(c1)NC(=O)N1CCC(C1)(O)CC(C)C | 10.1016/j.bmcl.2016.01.031 | |||
9223 | 7785 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 550 | 9 | 3 | 5 | 6.8 | Fc1ccc(cc1)Oc1cc(Oc2ccc(cc2)C(C(=O)O)(C)C)cc(c1)NC(=O)N1CCC(C1)(O)CC(C)C | 10.1016/j.bmcl.2016.01.031 | |||
CHEMBL3759434 | 7785 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 550 | 9 | 3 | 5 | 6.8 | Fc1ccc(cc1)Oc1cc(Oc2ccc(cc2)C(C(=O)O)(C)C)cc(c1)NC(=O)N1CCC(C1)(O)CC(C)C | 10.1016/j.bmcl.2016.01.031 | |||
44344390 | 20269 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 355 | 15 | 3 | 2 | 4.5 | O=P(O)(O)CCCNCCCCCCCCCCc1ccccc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL119349 | 20269 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 355 | 15 | 3 | 2 | 4.5 | O=P(O)(O)CCCNCCCCCCCCCCc1ccccc1 | 10.1016/j.bmcl.2004.04.069 | |||
155322902 | 197372 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 522 | 8 | 2 | 8 | 3.1 | COc1ccccc1NC(=O)Cn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)ccc2OC)c1=O | 10.1039/d1md00357g | |||
CHEMBL5180516 | 197372 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 522 | 8 | 2 | 8 | 3.1 | COc1ccccc1NC(=O)Cn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)ccc2OC)c1=O | 10.1039/d1md00357g | |||
10287091 | 17373 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 371 | 14 | 4 | 3 | 4.1 | CCCCCCCCC(O)c1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL117007 | 17373 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 371 | 14 | 4 | 3 | 4.1 | CCCCCCCCC(O)c1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
145966230 | 171103 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 443 | 7 | 3 | 7 | 4.4 | Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(OCC4CC4)c3)cc(C(C)C)c12 | 10.1016/j.bmcl.2017.12.010 | |||
CHEMBL4212397 | 171103 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 443 | 7 | 3 | 7 | 4.4 | Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(OCC4CC4)c3)cc(C(C)C)c12 | 10.1016/j.bmcl.2017.12.010 | |||
10125882 | 172363 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 337 | 14 | 2 | 2 | 4.9 | CCCCCCCCCc1ccc(CNCC(F)CC(=O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL424254 | 172363 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 337 | 14 | 2 | 2 | 4.9 | CCCCCCCCCc1ccc(CNCC(F)CC(=O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
10223146 | 8936 | 60 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 407 | 4 | 3 | 6 | 4.3 | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C | 10.1016/j.bmcl.2017.12.010 | |||
2917 | 8936 | 60 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 407 | 4 | 3 | 6 | 4.3 | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C | 10.1016/j.bmcl.2017.12.010 | |||
CHEMBL1368758 | 8936 | 60 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 407 | 4 | 3 | 6 | 4.3 | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C | 10.1016/j.bmcl.2017.12.010 | |||
25164630 | 198631 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 551 | 10 | 2 | 9 | 2.2 | COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)NCCc3cccnc3)c(=O)c3ccccc32)cc1Cl | 10.1039/d1md00357g | |||
CHEMBL5199083 | 198631 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 551 | 10 | 2 | 9 | 2.2 | COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)NCCc3cccnc3)c(=O)c3ccccc32)cc1Cl | 10.1039/d1md00357g | |||
44344193 | 121690 | 5 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 335 | 17 | 3 | 2 | 4.8 | CCCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL334213 | 121690 | 5 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 335 | 17 | 3 | 2 | 4.8 | CCCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
44344193 | 121690 | 5 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 335 | 17 | 3 | 2 | 4.8 | CCCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1021/jm0492507 | |||
CHEMBL334213 | 121690 | 5 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 335 | 17 | 3 | 2 | 4.8 | CCCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1021/jm0492507 | |||
44344193 | 121690 | 5 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 335 | 17 | 3 | 2 | 4.8 | CCCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.07.049 | |||
CHEMBL334213 | 121690 | 5 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 335 | 17 | 3 | 2 | 4.8 | CCCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.07.049 | |||
44344390 | 20269 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 355 | 15 | 3 | 2 | 4.5 | O=P(O)(O)CCCNCCCCCCCCCCc1ccccc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL119349 | 20269 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 355 | 15 | 3 | 2 | 4.5 | O=P(O)(O)CCCNCCCCCCCCCCc1ccccc1 | 10.1016/j.bmcl.2004.04.069 | |||
44344338 | 20154 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 369 | 15 | 3 | 2 | 4.7 | CCCCCCCc1ccc(CCCCNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL119257 | 20154 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 369 | 15 | 3 | 2 | 4.7 | CCCCCCCc1ccc(CCCCNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
10288370 | 19523 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 451 | 14 | 3 | 4 | 4.5 | CCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL118783 | 19523 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 451 | 14 | 3 | 4 | 4.5 | CCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
9824415 | 117333 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 437 | 13 | 3 | 4 | 4.1 | CCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL325247 | 117333 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 437 | 13 | 3 | 4 | 4.1 | CCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
10172354 | 120563 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 357 | 14 | 3 | 3 | 4.1 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL332373 | 120563 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 357 | 14 | 3 | 3 | 4.1 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
155317233 | 198739 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 552 | 9 | 2 | 9 | 3.1 | COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)Nc3ccccc3OC)c(=O)c3ccccc32)cc1Cl | 10.1039/d1md00357g | |||
CHEMBL5200959 | 198739 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 552 | 9 | 2 | 9 | 3.1 | COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)Nc3ccccc3OC)c(=O)c3ccccc32)cc1Cl | 10.1039/d1md00357g | |||
10286857 | 174883 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 353 | 14 | 2 | 2 | 5.4 | CCCCCCCCCc1ccc(CNCCCP(C)(=O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL432809 | 174883 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 353 | 14 | 2 | 2 | 5.4 | CCCCCCCCCc1ccc(CNCCCP(C)(=O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
9824415 | 117333 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 437 | 13 | 3 | 4 | 4.1 | CCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL325247 | 117333 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 437 | 13 | 3 | 4 | 4.1 | CCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
10308738 | 17043 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 335 | 14 | 3 | 3 | 3.9 | CCCCCCCCCc1ccc(CNCC(O)CC(=O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL116140 | 17043 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 335 | 14 | 3 | 3 | 3.9 | CCCCCCCCCc1ccc(CNCC(O)CC(=O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
155317276 | 181721 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 595 | 12 | 3 | 5 | 7.3 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NCCF)cc3)c2)CC1 | 10.1016/j.bmc.2019.06.047 | |||
CHEMBL4565410 | 181721 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 595 | 12 | 3 | 5 | 7.3 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NCCF)cc3)c2)CC1 | 10.1016/j.bmc.2019.06.047 | |||
10223146 | 8936 | 60 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 407 | 4 | 3 | 6 | 4.3 | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C | 10.1016/j.bmc.2019.06.047 | |||
2917 | 8936 | 60 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 407 | 4 | 3 | 6 | 4.3 | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C | 10.1016/j.bmc.2019.06.047 | |||
CHEMBL1368758 | 8936 | 60 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 407 | 4 | 3 | 6 | 4.3 | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C | 10.1016/j.bmc.2019.06.047 | |||
10223146 | 8936 | 60 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 407 | 4 | 3 | 6 | 4.3 | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C | 10.1021/acs.jmedchem.1c01571 | |||
2917 | 8936 | 60 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 407 | 4 | 3 | 6 | 4.3 | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C | 10.1021/acs.jmedchem.1c01571 | |||
CHEMBL1368758 | 8936 | 60 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 407 | 4 | 3 | 6 | 4.3 | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C | 10.1021/acs.jmedchem.1c01571 | |||
10215741 | 17785 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 371 | 13 | 3 | 4 | 3.5 | CCCCCCCOC(=O)c1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL117403 | 17785 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 371 | 13 | 3 | 4 | 3.5 | CCCCCCCOC(=O)c1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
44341291 | 16909 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 371 | 13 | 4 | 3 | 3.7 | CCCCCCCCc1ccc(CC[C@H](N)C[C@H](O)P(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
CHEMBL115714 | 16909 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 371 | 13 | 4 | 3 | 3.7 | CCCCCCCCc1ccc(CC[C@H](N)C[C@H](O)P(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
155317279 | 177067 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 589 | 9 | 2 | 5 | 7.2 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc4c(c3)CCN(C)C4=O)c2)CC1 | 10.1016/j.bmc.2019.06.047 | |||
CHEMBL4446353 | 177067 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 589 | 9 | 2 | 5 | 7.2 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc4c(c3)CCN(C)C4=O)c2)CC1 | 10.1016/j.bmc.2019.06.047 | |||
21455530 | 16914 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 363 | 19 | 3 | 2 | 5.6 | CCCCCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL115738 | 16914 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 363 | 19 | 3 | 2 | 5.6 | CCCCCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
44344404 | 18133 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 349 | 18 | 3 | 2 | 5.2 | CCCCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL117973 | 18133 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 349 | 18 | 3 | 2 | 5.2 | CCCCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
11725751 | 19619 | 5 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.6 | CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
11725751 | 19619 | 5 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.6 | CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL118860 | 19619 | 5 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.6 | CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL118860 | 19619 | 5 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.6 | CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
44394191 | 73083 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 381 | 12 | 3 | 2 | 5.3 | CCCCCCCCCc1ccc(C2CCC(CCP(=O)(O)O)N2)cc1 | 10.1016/j.bmcl.2004.07.049 | |||
CHEMBL184879 | 73083 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 381 | 12 | 3 | 2 | 5.3 | CCCCCCCCCc1ccc(C2CCC(CCP(=O)(O)O)N2)cc1 | 10.1016/j.bmcl.2004.07.049 | |||
44341399 | 213746 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 724 | 25 | 7 | 5 | 7.9 | CCCCCCCCc1ccc(CCC(N)/C=C/P(=O)(O)O)cc1.CCCCCCCCc1ccc(CCC(N)C(O)CP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
CHEMBL91283 | 213746 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 724 | 25 | 7 | 5 | 7.9 | CCCCCCCCc1ccc(CCC(N)/C=C/P(=O)(O)O)cc1.CCCCCCCCc1ccc(CCC(N)C(O)CP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
44394212 | 73944 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 373 | 15 | 2 | 2 | 6.5 | CCCCCCCCCCCCCC1CCCC(CCP(C)(=O)O)N1 | 10.1016/j.bmcl.2004.07.049 | |||
CHEMBL187692 | 73944 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 373 | 15 | 2 | 2 | 6.5 | CCCCCCCCCCCCCC1CCCC(CCP(C)(=O)O)N1 | 10.1016/j.bmcl.2004.07.049 | |||
10173327 | 17824 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 421 | 15 | 3 | 4 | 4.7 | CCCCCCCCOc1c(Cl)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL117715 | 17824 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 421 | 15 | 3 | 4 | 4.7 | CCCCCCCCOc1c(Cl)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
118728431 | 124473 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 577 | 10 | 2 | 5 | 7.3 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N(C)C)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | |||
CHEMBL3401387 | 124473 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 577 | 10 | 2 | 5 | 7.3 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N(C)C)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | |||
10125861 | 19972 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 335 | 16 | 3 | 2 | 5.0 | CCCCCCCCCCCCCCC(N)CCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL119110 | 19972 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 335 | 16 | 3 | 2 | 5.0 | CCCCCCCCCCCCCCC(N)CCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
10172546 | 121221 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 371 | 15 | 3 | 3 | 4.5 | CCCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL333335 | 121221 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 371 | 15 | 3 | 3 | 4.5 | CCCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
10215138 | 20853 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 321 | 15 | 3 | 2 | 4.6 | CCCCCCCCCCCCCC(N)CCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL119760 | 20853 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 321 | 15 | 3 | 2 | 4.6 | CCCCCCCCCCCCCC(N)CCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
9796603 | 171100 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 307 | 14 | 3 | 2 | 4.2 | CCCCCCCCCCCCC(N)CCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL421234 | 171100 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 307 | 14 | 3 | 2 | 4.2 | CCCCCCCCCCCCC(N)CCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
118728426 | 124463 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 448 | 7 | 2 | 3 | 6.5 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Cl)cc(Oc3ccc(F)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | |||
CHEMBL3401377 | 124463 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 448 | 7 | 2 | 3 | 6.5 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Cl)cc(Oc3ccc(F)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | |||
10172513 | 16954 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 369 | 14 | 3 | 3 | 4.3 | CCCCCCCCC(=O)c1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL115970 | 16954 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 369 | 14 | 3 | 3 | 4.3 | CCCCCCCCC(=O)c1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
168295975 | 199669 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 416 | 6 | 2 | 7 | 3.7 | COc1cc(C(C)C(=O)NNc2cc(C(C)C)c3c(C)nn(C)c3n2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c01571 | |||
CHEMBL5186556 | 199669 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 416 | 6 | 2 | 7 | 3.7 | COc1cc(C(C)C(=O)NNc2cc(C(C)C)c3c(C)nn(C)c3n2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c01571 | |||
CHEMBL5222022 | 199669 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 416 | 6 | 2 | 7 | 3.7 | COc1cc(C(C)C(=O)NNc2cc(C(C)C)c3c(C)nn(C)c3n2)cc(Cl)n1 | 10.1021/acs.jmedchem.1c01571 | |||
9885762 | 16506 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 371 | 13 | 4 | 3 | 3.7 | CCCCCCCCc1ccc(CCC(N)CC(O)P(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
CHEMBL113344 | 16506 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 371 | 13 | 4 | 3 | 3.7 | CCCCCCCCc1ccc(CCC(N)CC(O)P(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
155317244 | 197111 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 534 | 12 | 3 | 10 | 0.6 | COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)NCCOCCO)c(=O)c3ccccc32)cc1Cl | 10.1039/d1md00357g | |||
CHEMBL5176528 | 197111 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 534 | 12 | 3 | 10 | 0.6 | COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)NCCOCCO)c(=O)c3ccccc32)cc1Cl | 10.1039/d1md00357g | |||
118728433 | 124475 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 507 | 9 | 2 | 5 | 7.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3cccnc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | |||
CHEMBL3401389 | 124475 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 507 | 9 | 2 | 5 | 7.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3cccnc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | |||
118728428 | 124465 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 524 | 9 | 2 | 4 | 7.7 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | |||
CHEMBL3401379 | 124465 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 524 | 9 | 2 | 4 | 7.7 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)CC1 | 10.1016/j.bmcl.2015.02.029 | |||
10125862 | 18397 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 335 | 14 | 3 | 3 | 3.9 | CCCCCCCCCc1ccc(CNCCC(O)C(=O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL118068 | 18397 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 335 | 14 | 3 | 3 | 3.9 | CCCCCCCCCc1ccc(CNCCC(O)C(=O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
166519373 | 196831 | 0 | None | - | 1 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 560 | 8 | 2 | 5 | 6.5 | CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCN(CC4CCCCC4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1021/acs.jmedchem.2c00958 | |||
CHEMBL5172220 | 196831 | 0 | None | - | 1 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 560 | 8 | 2 | 5 | 6.5 | CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCN(CC4CCCCC4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1021/acs.jmedchem.2c00958 | |||
166519369 | 198277 | 0 | None | - | 1 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 506 | 10 | 2 | 5 | 6.8 | CCC(CC)CNC1CCN(C(=O)Nc2cc(Oc3ccncc3)cc(Oc3ccc(F)cc3)c2)CC1 | 10.1021/acs.jmedchem.2c00958 | |||
CHEMBL5193759 | 198277 | 0 | None | - | 1 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 506 | 10 | 2 | 5 | 6.8 | CCC(CC)CNC1CCN(C(=O)Nc2cc(Oc3ccncc3)cc(Oc3ccc(F)cc3)c2)CC1 | 10.1021/acs.jmedchem.2c00958 | |||
166519341 | 199089 | 0 | None | - | 1 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 617 | 10 | 1 | 6 | 6.4 | CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N4CCN(C)CC4)cc3)c2)CC1 | 10.1021/acs.jmedchem.2c00958 | |||
CHEMBL5206290 | 199089 | 0 | None | - | 1 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 617 | 10 | 1 | 6 | 6.4 | CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N4CCN(C)CC4)cc3)c2)CC1 | 10.1021/acs.jmedchem.2c00958 | |||
166519371 | 199233 | 0 | None | - | 1 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 548 | 10 | 2 | 5 | 6.4 | CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NC)cc3)c2)CC1 | 10.1021/acs.jmedchem.2c00958 | |||
CHEMBL5208524 | 199233 | 0 | None | - | 1 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 548 | 10 | 2 | 5 | 6.4 | CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NC)cc3)c2)CC1 | 10.1021/acs.jmedchem.2c00958 | |||
166519354 | 197440 | 0 | None | - | 1 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 535 | 10 | 2 | 5 | 6.7 | CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)O)cc3)c2)CC1 | 10.1021/acs.jmedchem.2c00958 | |||
CHEMBL5181599 | 197440 | 0 | None | - | 1 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 535 | 10 | 2 | 5 | 6.7 | CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)O)cc3)c2)CC1 | 10.1021/acs.jmedchem.2c00958 | |||
166519351 | 199068 | 0 | None | - | 1 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 492 | 9 | 1 | 5 | 6.4 | CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccncc3)cc(Oc3ccc(F)cc3)c2)CC1 | 10.1021/acs.jmedchem.2c00958 | |||
CHEMBL5206026 | 199068 | 0 | None | - | 1 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 492 | 9 | 1 | 5 | 6.4 | CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccncc3)cc(Oc3ccc(F)cc3)c2)CC1 | 10.1021/acs.jmedchem.2c00958 | |||
118728432 | 124474 | 0 | None | - | 1 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 507 | 9 | 2 | 5 | 7.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccncc3)cc(Oc3ccc(F)cc3)c2)CC1 | 10.1021/acs.jmedchem.2c00958 | |||
CHEMBL3401388 | 124474 | 0 | None | - | 1 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 507 | 9 | 2 | 5 | 7.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccncc3)cc(Oc3ccc(F)cc3)c2)CC1 | 10.1021/acs.jmedchem.2c00958 | |||
166519350 | 198756 | 0 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 564 | 6 | 2 | 6 | 5.9 | CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1021/acs.jmedchem.2c00958 | |||
CHEMBL5201190 | 198756 | 0 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 564 | 6 | 2 | 6 | 5.9 | CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1021/acs.jmedchem.2c00958 | |||
168270185 | 196808 | 0 | None | - | 1 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 471 | 5 | 3 | 7 | 4.8 | COc1ccc(-c2cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc3c2c(C)nn3C)cc1 | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5171726 | 196808 | 0 | None | - | 1 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 471 | 5 | 3 | 7 | 4.8 | COc1ccc(-c2cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc3c2c(C)nn3C)cc1 | 10.1016/j.ejmech.2021.113923 | |||
168296653 | 199265 | 0 | None | - | 1 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 427 | 4 | 3 | 6 | 4.5 | Cn1ncc2c(-c3ccccc3)cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc21 | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5208968 | 199265 | 0 | None | - | 1 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 427 | 4 | 3 | 6 | 4.5 | Cn1ncc2c(-c3ccccc3)cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc21 | 10.1016/j.ejmech.2021.113923 | |||
10271112 | 198409 | 0 | None | - | 1 | Human | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 379 | 3 | 3 | 6 | 3.4 | Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1c(C)nn2C | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5195746 | 198409 | 0 | None | - | 1 | Human | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 379 | 3 | 3 | 6 | 3.4 | Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1c(C)nn2C | 10.1016/j.ejmech.2021.113923 | |||
166519359 | 196924 | 0 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 616 | 11 | 2 | 5 | 8.1 | CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NC4CCCCC4)cc3)c2)CC1 | 10.1021/acs.jmedchem.2c00958 | |||
CHEMBL5173580 | 196924 | 0 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 616 | 11 | 2 | 5 | 8.1 | CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NC4CCCCC4)cc3)c2)CC1 | 10.1021/acs.jmedchem.2c00958 | |||
168292119 | 198802 | 0 | None | - | 1 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 461 | 4 | 3 | 6 | 5.0 | CC(C)c1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1c(C(F)(F)F)nn2C | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5201886 | 198802 | 0 | None | - | 1 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 461 | 4 | 3 | 6 | 5.0 | CC(C)c1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1c(C(F)(F)F)nn2C | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL4871603 | 220853 | 4 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | None | None | None | O=C(Nc1cc(Cl)nc(Cl)c1)Nc1cc(Cl)nc(Cl)c1 | 10.1021/acs.jmedchem.2c00958 | |||||
168270862 | 196709 | 0 | None | - | 1 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 393 | 5 | 3 | 6 | 3.8 | CCCc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1cnn2C | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5170029 | 196709 | 0 | None | - | 1 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 393 | 5 | 3 | 6 | 3.8 | CCCc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1cnn2C | 10.1016/j.ejmech.2021.113923 | |||
168289519 | 198276 | 0 | None | - | 1 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 441 | 5 | 3 | 7 | 4.0 | COc1cc(NC(=O)NNc2cc(-c3ccc(F)cc3)c3cnn(C)c3n2)cc(Cl)n1 | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5193754 | 198276 | 0 | None | - | 1 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 441 | 5 | 3 | 7 | 4.0 | COc1cc(NC(=O)NNc2cc(-c3ccc(F)cc3)c3cnn(C)c3n2)cc(Cl)n1 | 10.1016/j.ejmech.2021.113923 | |||
10223146 | 8936 | 60 | None | - | 1 | Human | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 407 | 4 | 3 | 6 | 4.3 | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C | 10.1016/j.ejmech.2021.113923 | |||
2917 | 8936 | 60 | None | - | 1 | Human | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 407 | 4 | 3 | 6 | 4.3 | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL1368758 | 8936 | 60 | None | - | 1 | Human | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 407 | 4 | 3 | 6 | 4.3 | O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C | 10.1016/j.ejmech.2021.113923 | |||
89484779 | 124469 | 0 | None | - | 1 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 549 | 10 | 3 | 5 | 6.7 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1 | 10.1021/acs.jmedchem.2c00958 | |||
CHEMBL3401383 | 124469 | 0 | None | - | 1 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 549 | 10 | 3 | 5 | 6.7 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1 | 10.1021/acs.jmedchem.2c00958 | |||
168278839 | 197676 | 0 | None | - | 1 | Human | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 481 | 4 | 3 | 7 | 5.5 | Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(-c3ccc(Cl)s3)c12 | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5185006 | 197676 | 0 | None | - | 1 | Human | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 481 | 4 | 3 | 7 | 5.5 | Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(-c3ccc(Cl)s3)c12 | 10.1016/j.ejmech.2021.113923 | |||
168296054 | 199093 | 0 | None | - | 1 | Human | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 453 | 6 | 3 | 8 | 3.9 | COc1ccc(-c2cc(NNC(=O)Nc3cc(Cl)nc(OC)c3)nc3c2cnn3C)cc1 | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5206352 | 199093 | 0 | None | - | 1 | Human | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 453 | 6 | 3 | 8 | 3.9 | COc1ccc(-c2cc(NNC(=O)Nc3cc(Cl)nc(OC)c3)nc3c2cnn3C)cc1 | 10.1016/j.ejmech.2021.113923 | |||
168272492 | 197011 | 0 | None | - | 1 | Human | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 447 | 4 | 3 | 6 | 5.2 | Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(C3CCCCC3)c12 | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5174961 | 197011 | 0 | None | - | 1 | Human | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 447 | 4 | 3 | 6 | 5.2 | Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(C3CCCCC3)c12 | 10.1016/j.ejmech.2021.113923 | |||
166519360 | 199087 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 570 | 8 | 2 | 6 | 6.1 | CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCN(c4ccc(OC)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1021/acs.jmedchem.2c00958 | |||
CHEMBL5206287 | 199087 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 570 | 8 | 2 | 6 | 6.1 | CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCN(c4ccc(OC)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1021/acs.jmedchem.2c00958 | |||
168286069 | 198119 | 0 | None | - | 1 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 481 | 7 | 3 | 8 | 4.6 | COc1ccc(-c2cc(NNC(=O)Nc3cc(Cl)nc(OC(C)C)c3)nc3c2cnn3C)cc1 | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5191649 | 198119 | 0 | None | - | 1 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 481 | 7 | 3 | 8 | 4.6 | COc1ccc(-c2cc(NNC(=O)Nc3cc(Cl)nc(OC(C)C)c3)nc3c2cnn3C)cc1 | 10.1016/j.ejmech.2021.113923 | |||
168297296 | 199271 | 0 | None | - | 1 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 407 | 5 | 3 | 6 | 4.1 | CCCc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1c(C)nn2C | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5209016 | 199271 | 0 | None | - | 1 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 407 | 5 | 3 | 6 | 4.1 | CCCc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1c(C)nn2C | 10.1016/j.ejmech.2021.113923 | |||
168288055 | 198415 | 0 | None | - | 1 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 483 | 8 | 3 | 7 | 5.2 | CCCCOc1cc(NC(=O)NNc2cc(-c3ccc(F)cc3)c3cnn(C)c3n2)cc(Cl)n1 | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5195828 | 198415 | 0 | None | - | 1 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 483 | 8 | 3 | 7 | 5.2 | CCCCOc1cc(NC(=O)NNc2cc(-c3ccc(F)cc3)c3cnn(C)c3n2)cc(Cl)n1 | 10.1016/j.ejmech.2021.113923 | |||
168293778 | 198952 | 0 | None | - | 1 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 473 | 7 | 3 | 7 | 4.3 | Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)Nc3cc(Cl)nc(OCCF)c3)nc21 | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5204017 | 198952 | 0 | None | - | 1 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 473 | 7 | 3 | 7 | 4.3 | Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)Nc3cc(Cl)nc(OCCF)c3)nc21 | 10.1016/j.ejmech.2021.113923 | |||
166519346 | 197606 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 618 | 7 | 2 | 5 | 6.9 | CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCN(C(=O)c4ccc5ccccc5c4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1021/acs.jmedchem.2c00958 | |||
CHEMBL5184083 | 197606 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 618 | 7 | 2 | 5 | 6.9 | CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCN(C(=O)c4ccc5ccccc5c4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1021/acs.jmedchem.2c00958 | |||
90309142 | 7785 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 550 | 9 | 3 | 5 | 6.8 | Fc1ccc(cc1)Oc1cc(Oc2ccc(cc2)C(C(=O)O)(C)C)cc(c1)NC(=O)N1CCC(C1)(O)CC(C)C | 10.1021/acs.jmedchem.2c00958 | |||
9223 | 7785 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 550 | 9 | 3 | 5 | 6.8 | Fc1ccc(cc1)Oc1cc(Oc2ccc(cc2)C(C(=O)O)(C)C)cc(c1)NC(=O)N1CCC(C1)(O)CC(C)C | 10.1021/acs.jmedchem.2c00958 | |||
CHEMBL3759434 | 7785 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 550 | 9 | 3 | 5 | 6.8 | Fc1ccc(cc1)Oc1cc(Oc2ccc(cc2)C(C(=O)O)(C)C)cc(c1)NC(=O)N1CCC(C1)(O)CC(C)C | 10.1021/acs.jmedchem.2c00958 | |||
168297057 | 199223 | 0 | None | - | 1 | Human | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 481 | 8 | 3 | 8 | 4.6 | CCCOc1cc(NC(=O)NNc2cc(-c3ccc(OC)cc3)c3cnn(C)c3n2)cc(Cl)n1 | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5208402 | 199223 | 0 | None | - | 1 | Human | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 481 | 8 | 3 | 8 | 4.6 | CCCOc1cc(NC(=O)NNc2cc(-c3ccc(OC)cc3)c3cnn(C)c3n2)cc(Cl)n1 | 10.1016/j.ejmech.2021.113923 | |||
168287249 | 198525 | 0 | None | - | 1 | Human | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 482 | 7 | 3 | 7 | 4.8 | CCN(CC)c1cc(NC(=O)NNc2cc(-c3ccc(F)cc3)c3cnn(C)c3n2)cc(Cl)n1 | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5197394 | 198525 | 0 | None | - | 1 | Human | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 482 | 7 | 3 | 7 | 4.8 | CCN(CC)c1cc(NC(=O)NNc2cc(-c3ccc(F)cc3)c3cnn(C)c3n2)cc(Cl)n1 | 10.1016/j.ejmech.2021.113923 | |||
167312214 | 197019 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 445 | 4 | 3 | 6 | 4.6 | Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc21 | 10.1021/acs.jmedchem.2c00958 | |||
CHEMBL5175095 | 197019 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 445 | 4 | 3 | 6 | 4.6 | Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc21 | 10.1021/acs.jmedchem.2c00958 | |||
167312214 | 197019 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 445 | 4 | 3 | 6 | 4.6 | Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc21 | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5175095 | 197019 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 445 | 4 | 3 | 6 | 4.6 | Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc21 | 10.1016/j.ejmech.2021.113923 | |||
168282294 | 197831 | 0 | None | - | 1 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 423 | 5 | 3 | 7 | 3.8 | COc1cc(NC(=O)NNc2cc(-c3ccccc3)c3cnn(C)c3n2)cc(Cl)n1 | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5187214 | 197831 | 0 | None | - | 1 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 423 | 5 | 3 | 7 | 3.8 | COc1cc(NC(=O)NNc2cc(-c3ccccc3)c3cnn(C)c3n2)cc(Cl)n1 | 10.1016/j.ejmech.2021.113923 | |||
168275956 | 197397 | 0 | None | - | 1 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 405 | 4 | 3 | 6 | 4.0 | Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(C3CC3)c12 | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5180962 | 197397 | 0 | None | - | 1 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 405 | 4 | 3 | 6 | 4.0 | Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(C3CC3)c12 | 10.1016/j.ejmech.2021.113923 | |||
168282685 | 197792 | 0 | None | - | 1 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 412 | 4 | 3 | 5 | 4.2 | Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)Nc3cc(F)cc(F)c3)nc21 | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5186737 | 197792 | 0 | None | - | 1 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 412 | 4 | 3 | 5 | 4.2 | Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)Nc3cc(F)cc(F)c3)nc21 | 10.1016/j.ejmech.2021.113923 | |||
90309040 | 124472 | 0 | None | - | 1 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 563 | 10 | 3 | 5 | 7.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NC)cc3)c2)CC1 | 10.1021/acs.jmedchem.2c00958 | |||
CHEMBL3401386 | 124472 | 0 | None | - | 1 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 563 | 10 | 3 | 5 | 7.0 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NC)cc3)c2)CC1 | 10.1021/acs.jmedchem.2c00958 | |||
155317214 | 199710 | 0 | None | - | 1 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 644 | 9 | 2 | 9 | 3.1 | COc1ccc(NC(=O)Cn2c(=O)c3ccccc3n(CC(=O)Nc3cc(I)c(OC)cc3OC)c2=O)cc1 | 10.1021/acs.jmedchem.1c01571 | |||
CHEMBL5190929 | 199710 | 0 | None | - | 1 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 644 | 9 | 2 | 9 | 3.1 | COc1ccc(NC(=O)Cn2c(=O)c3ccccc3n(CC(=O)Nc3cc(I)c(OC)cc3OC)c2=O)cc1 | 10.1021/acs.jmedchem.1c01571 | |||
CHEMBL5222272 | 199710 | 0 | None | - | 1 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 644 | 9 | 2 | 9 | 3.1 | COc1ccc(NC(=O)Cn2c(=O)c3ccccc3n(CC(=O)Nc3cc(I)c(OC)cc3OC)c2=O)cc1 | 10.1021/acs.jmedchem.1c01571 | |||
168278782 | 197508 | 0 | None | - | 1 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 403 | 5 | 3 | 6 | 3.5 | Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)N/C=C/c3cccnc3)nc21 | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5182577 | 197508 | 0 | None | - | 1 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 403 | 5 | 3 | 6 | 3.5 | Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)N/C=C/c3cccnc3)nc21 | 10.1016/j.ejmech.2021.113923 | |||
168278278 | 197897 | 0 | None | - | 1 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 495 | 9 | 3 | 8 | 5.0 | CCCCOc1cc(NC(=O)NNc2cc(-c3ccc(OC)cc3)c3cnn(C)c3n2)cc(Cl)n1 | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5187958 | 197897 | 0 | None | - | 1 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 495 | 9 | 3 | 8 | 5.0 | CCCCOc1cc(NC(=O)NNc2cc(-c3ccc(OC)cc3)c3cnn(C)c3n2)cc(Cl)n1 | 10.1016/j.ejmech.2021.113923 | |||
168270284 | 196685 | 0 | None | - | 1 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 466 | 7 | 3 | 8 | 3.9 | COc1cc(NC(=O)NNc2cc(-c3ccc(F)cc3)c3cnn(C)c3n2)cc(OC)c1OC | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5169751 | 196685 | 0 | None | - | 1 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 466 | 7 | 3 | 8 | 3.9 | COc1cc(NC(=O)NNc2cc(-c3ccc(F)cc3)c3cnn(C)c3n2)cc(OC)c1OC | 10.1016/j.ejmech.2021.113923 | |||
167312214 | 197019 | 0 | None | - | 1 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 445 | 4 | 3 | 6 | 4.6 | Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc21 | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5175095 | 197019 | 0 | None | - | 1 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 445 | 4 | 3 | 6 | 4.6 | Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc21 | 10.1016/j.ejmech.2021.113923 | |||
168278098 | 197072 | 0 | None | - | 1 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 444 | 4 | 3 | 5 | 5.2 | Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)Nc3cc(Cl)cc(Cl)c3)nc21 | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5175844 | 197072 | 0 | None | - | 1 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 444 | 4 | 3 | 5 | 5.2 | Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)Nc3cc(Cl)cc(Cl)c3)nc21 | 10.1016/j.ejmech.2021.113923 | |||
168292409 | 198654 | 0 | None | - | 1 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 589 | 7 | 3 | 5 | 6.9 | CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1021/acs.jmedchem.2c00958 | |||
CHEMBL5199565 | 198654 | 0 | None | - | 1 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 589 | 7 | 3 | 5 | 6.9 | CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1021/acs.jmedchem.2c00958 | |||
168296067 | 199110 | 0 | None | - | 1 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 457 | 5 | 3 | 7 | 4.5 | COc1ccc(-c2cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc3c2cnn3C)cc1 | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5206542 | 199110 | 0 | None | - | 1 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 457 | 5 | 3 | 7 | 4.5 | COc1ccc(-c2cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc3c2cnn3C)cc1 | 10.1016/j.ejmech.2021.113923 | |||
168291905 | 198808 | 0 | None | - | 1 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 441 | 4 | 3 | 6 | 4.8 | Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(-c3ccccc3)c12 | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5201982 | 198808 | 0 | None | - | 1 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 441 | 4 | 3 | 6 | 4.8 | Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(-c3ccccc3)c12 | 10.1016/j.ejmech.2021.113923 | |||
166519349 | 196986 | 0 | None | - | 1 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 562 | 10 | 1 | 5 | 6.7 | CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N(C)C)cc3)c2)CC1 | 10.1021/acs.jmedchem.2c00958 | |||
CHEMBL5174563 | 196986 | 0 | None | - | 1 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 562 | 10 | 1 | 5 | 6.7 | CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N(C)C)cc3)c2)CC1 | 10.1021/acs.jmedchem.2c00958 | |||
168283355 | 197590 | 0 | None | - | 1 | Human | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 560 | 7 | 4 | 9 | 5.8 | Cc1ccc(NC(=O)NNc2cc(-c3ccc(F)cc3)c3cnn(C)c3n2)cc1Nc1nccc(-c2cccnc2)n1 | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5183850 | 197590 | 0 | None | - | 1 | Human | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 560 | 7 | 4 | 9 | 5.8 | Cc1ccc(NC(=O)NNc2cc(-c3ccc(F)cc3)c3cnn(C)c3n2)cc1Nc1nccc(-c2cccnc2)n1 | 10.1016/j.ejmech.2021.113923 | |||
118728431 | 124473 | 0 | None | - | 1 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 577 | 10 | 2 | 5 | 7.3 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N(C)C)cc3)c2)CC1 | 10.1021/acs.jmedchem.2c00958 | |||
CHEMBL3401387 | 124473 | 0 | None | - | 1 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 577 | 10 | 2 | 5 | 7.3 | CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N(C)C)cc3)c2)CC1 | 10.1021/acs.jmedchem.2c00958 | |||
168277641 | 196939 | 0 | None | - | 1 | Human | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 545 | 5 | 3 | 7 | 4.7 | COc1ccc(-c2cc(NNC(=O)Nc3cc(Br)nc(Br)c3)nc3c2cnn3C)cc1 | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5173838 | 196939 | 0 | None | - | 1 | Human | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 545 | 5 | 3 | 7 | 4.7 | COc1ccc(-c2cc(NNC(=O)Nc3cc(Br)nc(Br)c3)nc3c2cnn3C)cc1 | 10.1016/j.ejmech.2021.113923 | |||
168275912 | 197238 | 0 | None | - | 1 | Human | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 431 | 4 | 3 | 7 | 4.4 | Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(-c3ccco3)c12 | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5178705 | 197238 | 0 | None | - | 1 | Human | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 431 | 4 | 3 | 7 | 4.4 | Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(-c3ccco3)c12 | 10.1016/j.ejmech.2021.113923 | |||
168283549 | 197889 | 0 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 533 | 6 | 2 | 5 | 7.0 | O=C(Nc1cc(Oc2ccncc2)cc(Oc2ccc(F)cc2)c1)N1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.2c00958 | |||
CHEMBL5187883 | 197889 | 0 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 533 | 6 | 2 | 5 | 7.0 | O=C(Nc1cc(Oc2ccncc2)cc(Oc2ccc(F)cc2)c1)N1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.2c00958 | |||
166519343 | 198538 | 0 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 562 | 11 | 2 | 5 | 6.7 | CCNC(=O)c1ccc(Oc2cc(NC(=O)N3CCN(CC(CC)CC)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1021/acs.jmedchem.2c00958 | |||
CHEMBL5197668 | 198538 | 0 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 562 | 11 | 2 | 5 | 6.7 | CCNC(=O)c1ccc(Oc2cc(NC(=O)N3CCN(CC(CC)CC)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1021/acs.jmedchem.2c00958 | |||
166519357 | 197089 | 0 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 501 | 6 | 2 | 4 | 7.9 | O=C(Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(F)cc2)c1)Nc1cc(Cl)nc(Cl)c1 | 10.1021/acs.jmedchem.2c00958 | |||
CHEMBL5176095 | 197089 | 0 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 501 | 6 | 2 | 4 | 7.9 | O=C(Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(F)cc2)c1)Nc1cc(Cl)nc(Cl)c1 | 10.1021/acs.jmedchem.2c00958 | |||
168288692 | 198135 | 0 | None | - | 1 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 393 | 4 | 3 | 6 | 3.9 | CC(C)c1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1cnn2C | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5192020 | 198135 | 0 | None | - | 1 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 393 | 4 | 3 | 6 | 3.9 | CC(C)c1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1cnn2C | 10.1016/j.ejmech.2021.113923 | |||
168280834 | 197500 | 0 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 484 | 6 | 2 | 5 | 7.2 | O=C(Nc1cc(Oc2ccncc2)cc(Oc2ccc(F)cc2)c1)Nc1cc(Cl)nc(Cl)c1 | 10.1021/acs.jmedchem.2c00958 | |||
CHEMBL5182489 | 197500 | 0 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 484 | 6 | 2 | 5 | 7.2 | O=C(Nc1cc(Oc2ccncc2)cc(Oc2ccc(F)cc2)c1)Nc1cc(Cl)nc(Cl)c1 | 10.1021/acs.jmedchem.2c00958 | |||
168296158 | 199301 | 0 | None | - | 1 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 455 | 5 | 3 | 6 | 4.7 | Cc1c(Cc2ccccc2)c(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1cnn2C | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5209490 | 199301 | 0 | None | - | 1 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 455 | 5 | 3 | 6 | 4.7 | Cc1c(Cc2ccccc2)c(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1cnn2C | 10.1016/j.ejmech.2021.113923 | |||
166519370 | 198678 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 534 | 10 | 2 | 5 | 6.1 | CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1 | 10.1021/acs.jmedchem.2c00958 | |||
CHEMBL5199950 | 198678 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 534 | 10 | 2 | 5 | 6.1 | CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1 | 10.1021/acs.jmedchem.2c00958 | |||
168289718 | 198377 | 0 | None | - | 1 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 461 | 5 | 3 | 6 | 4.8 | CCCc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1c(C(F)(F)F)nn2C | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5195317 | 198377 | 0 | None | - | 1 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 461 | 5 | 3 | 6 | 4.8 | CCCc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1c(C(F)(F)F)nn2C | 10.1016/j.ejmech.2021.113923 | |||
166519367 | 197422 | 0 | None | - | 1 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 540 | 7 | 3 | 5 | 7.1 | CNC(=O)c1ccc(Oc2cc(NC(=O)Nc3cc(Cl)nc(Cl)c3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1021/acs.jmedchem.2c00958 | |||
CHEMBL5181338 | 197422 | 0 | None | - | 1 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 540 | 7 | 3 | 5 | 7.1 | CNC(=O)c1ccc(Oc2cc(NC(=O)Nc3cc(Cl)nc(Cl)c3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1021/acs.jmedchem.2c00958 | |||
166519362 | 198161 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 586 | 7 | 2 | 5 | 5.9 | CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1021/acs.jmedchem.2c00958 | |||
CHEMBL5192337 | 198161 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 586 | 7 | 2 | 5 | 5.9 | CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 | 10.1021/acs.jmedchem.2c00958 | |||
168270200 | 196841 | 0 | None | - | 1 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 495 | 4 | 3 | 6 | 5.5 | Cn1nc(C(F)(F)F)c2c(-c3ccccc3)cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc21 | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5172385 | 196841 | 0 | None | - | 1 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 495 | 4 | 3 | 6 | 5.5 | Cn1nc(C(F)(F)F)c2c(-c3ccccc3)cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc21 | 10.1016/j.ejmech.2021.113923 | |||
168296010 | 199046 | 0 | None | - | 1 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 459 | 4 | 3 | 6 | 4.9 | Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(-c3ccc(F)cc3)c12 | 10.1016/j.ejmech.2021.113923 | |||
CHEMBL5205630 | 199046 | 0 | None | - | 1 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 459 | 4 | 3 | 6 | 4.9 | Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(-c3ccc(F)cc3)c12 | 10.1016/j.ejmech.2021.113923 | |||
10883396 | 10421 | 45 | None | -11 | 4 | Human | 7.6 | pKd | = | 7.6 | Binding | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10446161 | |||
10883396 | 10421 | 45 | None | -11 | 4 | Human | 7.6 | pKd | = | 7.6 | Binding | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 9988698 | |||
5283560 | 10421 | 45 | None | -11 | 4 | Human | 7.6 | pKd | = | 7.6 | Binding | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10446161 | |||
5283560 | 10421 | 45 | None | -11 | 4 | Human | 7.6 | pKd | = | 7.6 | Binding | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 9988698 | |||
911 | 10421 | 45 | None | -11 | 4 | Human | 7.6 | pKd | = | 7.6 | Binding | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10446161 | |||
911 | 10421 | 45 | None | -11 | 4 | Human | 7.6 | pKd | = | 7.6 | Binding | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 9988698 | |||
CHEMBL225155 | 10421 | 45 | None | -11 | 4 | Human | 7.6 | pKd | = | 7.6 | Binding | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10446161 | |||
CHEMBL225155 | 10421 | 45 | None | -11 | 4 | Human | 7.6 | pKd | = | 7.6 | Binding | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 9988698 |