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 |
71460332 | 87708 | 4 | None | -181 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 429 | 7 | 1 | 3 | 6.2 | C[C@H](NC(=O)CCCc1ccc2cccnc2n1)c1ccc(-c2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2011.04.091 | ||
CHEMBL2153446 | 87708 | 4 | None | -181 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 429 | 7 | 1 | 3 | 6.2 | C[C@H](NC(=O)CCCc1ccc2cccnc2n1)c1ccc(-c2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2011.04.091 | ||
71456641 | 87735 | 0 | None | -125 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 426 | 6 | 0 | 5 | 6.2 | Clc1cccc(-c2ccc(-c3nnc(CCCc4ccc5cccnc5n4)o3)cc2)c1 | 10.1016/j.bmcl.2011.04.091 | ||
CHEMBL2153586 | 87735 | 0 | None | -125 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 426 | 6 | 0 | 5 | 6.2 | Clc1cccc(-c2ccc(-c3nnc(CCCc4ccc5cccnc5n4)o3)cc2)c1 | 10.1016/j.bmcl.2011.04.091 | ||
71462027 | 87702 | 0 | None | -173 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 415 | 7 | 1 | 3 | 5.6 | O=C(CCCc1ccc2cccnc2n1)NCc1ccc(-c2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2011.04.091 | ||
CHEMBL2153440 | 87702 | 0 | None | -173 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 415 | 7 | 1 | 3 | 5.6 | O=C(CCCc1ccc2cccnc2n1)NCc1ccc(-c2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2011.04.091 | ||
3636 | 7149 | 125 | None | -22908 | 2 | Human | 3.9 | pEC50 | = | 3.9 | Functional | Guide to Pharmacology | 146 | 4 | 2 | 3 | -0.5 | OC(=O)CCC(=O)C(=O)O | 15141213 | ||
3636 | 7149 | 125 | None | -22908 | 2 | Human | 3.9 | pEC50 | = | 3.9 | Functional | Guide to Pharmacology | 146 | 4 | 2 | 3 | -0.5 | OC(=O)CCC(=O)C(=O)O | 23396314 | ||
51 | 7149 | 125 | None | -22908 | 2 | Human | 3.9 | pEC50 | = | 3.9 | Functional | Guide to Pharmacology | 146 | 4 | 2 | 3 | -0.5 | OC(=O)CCC(=O)C(=O)O | 15141213 | ||
51 | 7149 | 125 | None | -22908 | 2 | Human | 3.9 | pEC50 | = | 3.9 | Functional | Guide to Pharmacology | 146 | 4 | 2 | 3 | -0.5 | OC(=O)CCC(=O)C(=O)O | 23396314 | ||
CHEMBL1686 | 7149 | 125 | None | -22908 | 2 | Human | 3.9 | pEC50 | = | 3.9 | Functional | Guide to Pharmacology | 146 | 4 | 2 | 3 | -0.5 | OC(=O)CCC(=O)C(=O)O | 15141213 | ||
CHEMBL1686 | 7149 | 125 | None | -22908 | 2 | Human | 3.9 | pEC50 | = | 3.9 | Functional | Guide to Pharmacology | 146 | 4 | 2 | 3 | -0.5 | OC(=O)CCC(=O)C(=O)O | 23396314 | ||
DB08845 | 7149 | 125 | None | -22908 | 2 | Human | 3.9 | pEC50 | = | 3.9 | Functional | Guide to Pharmacology | 146 | 4 | 2 | 3 | -0.5 | OC(=O)CCC(=O)C(=O)O | 15141213 | ||
DB08845 | 7149 | 125 | None | -22908 | 2 | Human | 3.9 | pEC50 | = | 3.9 | Functional | Guide to Pharmacology | 146 | 4 | 2 | 3 | -0.5 | OC(=O)CCC(=O)C(=O)O | 23396314 |
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 |
46875342 | 208955 | 0 | None | - | 1 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 449 | 11 | 5 | 10 | -0.4 | CC(=O)NCCCCCCCCNC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
CHEMBL609487 | 208955 | 0 | None | - | 1 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 449 | 11 | 5 | 10 | -0.4 | CC(=O)NCCCCCCCCNC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
46875317 | 208753 | 0 | None | - | 1 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 414 | 3 | 4 | 9 | 0.1 | Nc1ncnc2c1ncn2C1O[C@H](C(=O)NC23CC4CC(CC(C4)C2)C3)[C@@H](O)[C@H]1O | 10.1021/jm000150k | |||
CHEMBL608000 | 208753 | 0 | None | - | 1 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 414 | 3 | 4 | 9 | 0.1 | Nc1ncnc2c1ncn2C1O[C@H](C(=O)NC23CC4CC(CC(C4)C2)C3)[C@@H](O)[C@H]1O | 10.1021/jm000150k | |||
10089226 | 86065 | 0 | None | 50 | 4 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 350 | 6 | 4 | 9 | -0.7 | CCCCCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
CHEMBL2113492 | 86065 | 0 | None | 50 | 4 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 350 | 6 | 4 | 9 | -0.7 | CCCCCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
10738295 | 84595 | 0 | None | - | 1 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 376 | 3 | 4 | 9 | -0.3 | C[C@H]1CC[C@H](NC(=O)[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)CC1 | 10.1021/jm000150k | |||
CHEMBL2092859 | 84595 | 0 | None | - | 1 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 376 | 3 | 4 | 9 | -0.3 | C[C@H]1CC[C@H](NC(=O)[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)CC1 | 10.1021/jm000150k | |||
46875267 | 208998 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 434 | 12 | 4 | 9 | 1.7 | CCCCCCCCCCCNC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
CHEMBL609768 | 208998 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 434 | 12 | 4 | 9 | 1.7 | CCCCCCCCCCCNC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
46875320 | 208754 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 430 | 6 | 4 | 11 | -0.6 | COc1ccc(CNC(=O)[C@H]2OC(n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1OC | 10.1021/jm000150k | |||
CHEMBL608003 | 208754 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 430 | 6 | 4 | 11 | -0.6 | COc1ccc(CNC(=O)[C@H]2OC(n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1OC | 10.1021/jm000150k | |||
46875266 | 208954 | 0 | None | - | 1 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 448 | 13 | 4 | 9 | 2.1 | CCCCCCCCCCCCNC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
CHEMBL609485 | 208954 | 0 | None | - | 1 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 448 | 13 | 4 | 9 | 2.1 | CCCCCCCCCCCCNC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
9996282 | 26261 | 0 | None | -3 | 4 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 323 | 4 | 5 | 10 | -2.9 | NCCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
CHEMBL129903 | 26261 | 0 | None | -3 | 4 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 323 | 4 | 5 | 10 | -2.9 | NCCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
49797674 | 208926 | 0 | None | - | 1 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 336 | 5 | 4 | 9 | -1.1 | CCCCNC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
CHEMBL609186 | 208926 | 0 | None | - | 1 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 336 | 5 | 4 | 9 | -1.1 | CCCCNC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
10316575 | 86062 | 0 | None | 141 | 4 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 362 | 3 | 4 | 9 | -0.5 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CCCCC2)[C@@H](O)[C@H]1O | 10.1021/jm000150k | |||
CHEMBL2113489 | 86062 | 0 | None | 141 | 4 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 362 | 3 | 4 | 9 | -0.5 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CCCCC2)[C@@H](O)[C@H]1O | 10.1021/jm000150k | |||
21152082 | 208717 | 0 | None | - | 1 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 364 | 7 | 4 | 9 | -0.3 | CCCCCCNC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
CHEMBL607719 | 208717 | 0 | None | - | 1 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 364 | 7 | 4 | 9 | -0.3 | CCCCCCNC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
46875402 | 208883 | 0 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 336 | 4 | 4 | 9 | -1.1 | CCC(C)NC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
CHEMBL608895 | 208883 | 0 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 336 | 4 | 4 | 9 | -1.1 | CCC(C)NC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
56668023 | 70036 | 0 | None | 44 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 291 | 2 | 4 | 9 | -2.0 | C#CC(O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
CHEMBL1791423 | 70036 | 0 | None | 44 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 291 | 2 | 4 | 9 | -2.0 | C#CC(O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
46875323 | 208793 | 0 | None | - | 1 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 352 | 5 | 4 | 10 | -1.3 | CC(C)CONC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
CHEMBL608293 | 208793 | 0 | None | - | 1 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 352 | 5 | 4 | 10 | -1.3 | CC(C)CONC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
46875257 | 208881 | 0 | None | - | 1 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 378 | 8 | 4 | 9 | 0.1 | CCCCCCCNC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
CHEMBL608888 | 208881 | 0 | None | - | 1 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 378 | 8 | 4 | 9 | 0.1 | CCCCCCCNC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
46875347 | 209001 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 414 | 3 | 4 | 9 | -0.0 | Nc1ncnc2c1ncn2C1O[C@H](C(=O)NC2C3CC4CC(C3)CC2C4)[C@@H](O)[C@H]1O | 10.1021/jm000150k | |||
CHEMBL609774 | 209001 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 414 | 3 | 4 | 9 | -0.0 | Nc1ncnc2c1ncn2C1O[C@H](C(=O)NC2C3CC4CC(C3)CC2C4)[C@@H](O)[C@H]1O | 10.1021/jm000150k | |||
46875326 | 208794 | 0 | None | - | 1 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 392 | 9 | 4 | 9 | 0.5 | CCCCCCCCNC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
CHEMBL608296 | 208794 | 0 | None | - | 1 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 392 | 9 | 4 | 9 | 0.5 | CCCCCCCCNC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
46875346 | 209000 | 0 | None | - | 1 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 376 | 3 | 4 | 9 | -0.1 | Nc1ncnc2c1ncn2C1O[C@H](C(=O)NC2CCCCCC2)[C@@H](O)[C@H]1O | 10.1021/jm000150k | |||
CHEMBL609773 | 209000 | 0 | None | - | 1 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 376 | 3 | 4 | 9 | -0.1 | Nc1ncnc2c1ncn2C1O[C@H](C(=O)NC2CCCCCC2)[C@@H](O)[C@H]1O | 10.1021/jm000150k | |||
46875336 | 208882 | 0 | None | - | 1 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 390 | 3 | 4 | 9 | 0.3 | Nc1ncnc2c1ncn2C1O[C@H](C(=O)NC2CCCCCCC2)[C@@H](O)[C@H]1O | 10.1021/jm000150k | |||
CHEMBL608893 | 208882 | 0 | None | - | 1 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 390 | 3 | 4 | 9 | 0.3 | Nc1ncnc2c1ncn2C1O[C@H](C(=O)NC2CCCCCCC2)[C@@H](O)[C@H]1O | 10.1021/jm000150k | |||
377 | 9534 | 53 | None | -70 | 15 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm000150k | |||
425 | 9534 | 53 | None | -70 | 15 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm000150k | |||
448222 | 9534 | 53 | None | -70 | 15 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm000150k | |||
CHEMBL464859 | 9534 | 53 | None | -70 | 15 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm000150k | |||
46875307 | 209394 | 0 | None | - | 1 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 420 | 11 | 4 | 9 | 1.3 | CCCCCCCCCCNC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
CHEMBL612154 | 209394 | 0 | None | - | 1 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 420 | 11 | 4 | 9 | 1.3 | CCCCCCCCCCNC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
46875349 | 209003 | 0 | None | - | 1 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 407 | 10 | 5 | 10 | -0.6 | NCCCCCCCCNC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
CHEMBL609776 | 209003 | 0 | None | - | 1 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 407 | 10 | 5 | 10 | -0.6 | NCCCCCCCCNC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
3044933 | 23255 | 6 | None | -2 | 6 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 322 | 4 | 4 | 9 | -1.4 | CCCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
CHEMBL1235128 | 23255 | 6 | None | -2 | 6 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 322 | 4 | 4 | 9 | -1.4 | CCCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
46875268 | 208999 | 0 | None | - | 1 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 406 | 10 | 4 | 9 | 0.9 | CCCCCCCCCNC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
CHEMBL609769 | 208999 | 0 | None | - | 1 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 406 | 10 | 4 | 9 | 0.9 | CCCCCCCCCNC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
377 | 9534 | 53 | None | -70 | 15 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm000150k | |||
425 | 9534 | 53 | None | -70 | 15 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm000150k | |||
448222 | 9534 | 53 | None | -70 | 15 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm000150k | |||
CHEMBL464859 | 9534 | 53 | None | -70 | 15 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm000150k | |||
46875399 | 208830 | 0 | None | - | 1 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 296 | 2 | 5 | 10 | -2.5 | Nc1ncnc2c1ncn2C1O[C@H](C(=O)NO)[C@@H](O)[C@H]1O | 10.1021/jm000150k | |||
CHEMBL608595 | 208830 | 0 | None | - | 1 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 296 | 2 | 5 | 10 | -2.5 | Nc1ncnc2c1ncn2C1O[C@H](C(=O)NO)[C@@H](O)[C@H]1O | 10.1021/jm000150k | |||
21152084 | 208716 | 0 | None | - | 1 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 370 | 4 | 4 | 9 | -0.7 | Nc1ncnc2c1ncn2C1O[C@H](C(=O)NCc2ccccc2)[C@@H](O)[C@H]1O | 10.1021/jm000150k | |||
CHEMBL607717 | 208716 | 0 | None | - | 1 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 370 | 4 | 4 | 9 | -0.7 | Nc1ncnc2c1ncn2C1O[C@H](C(=O)NCc2ccccc2)[C@@H](O)[C@H]1O | 10.1021/jm000150k | |||
46875348 | 209002 | 0 | None | - | 1 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 365 | 5 | 5 | 10 | -2.7 | CC(=O)NCCNC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
CHEMBL609775 | 209002 | 0 | None | - | 1 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 365 | 5 | 5 | 10 | -2.7 | CC(=O)NCCNC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
215610 | 83710 | 4 | None | -1 | 6 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 348 | 3 | 4 | 9 | -0.9 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CCCC2)[C@@H](O)[C@H]1O | 10.1021/jm000150k | |||
CHEMBL2070508 | 83710 | 4 | None | -1 | 6 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 348 | 3 | 4 | 9 | -0.9 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CCCC2)[C@@H](O)[C@H]1O | 10.1021/jm000150k | |||
98567 | 198560 | 18 | None | -4 | 7 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 294 | 2 | 4 | 9 | -2.2 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
CHEMBL519809 | 198560 | 18 | None | -4 | 7 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 294 | 2 | 4 | 9 | -2.2 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
10738295 | 84585 | 0 | None | - | 1 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 376 | 3 | 4 | 9 | -0.3 | C[C@H]1CC[C@@H](NC(=O)[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)CC1 | 10.1021/jm000150k | |||
CHEMBL2092773 | 84585 | 0 | None | - | 1 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 376 | 3 | 4 | 9 | -0.3 | C[C@H]1CC[C@@H](NC(=O)[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)CC1 | 10.1021/jm000150k | |||
3042985 | 86007 | 2 | None | 1 | 4 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 310 | 3 | 4 | 10 | -2.3 | CONC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
CHEMBL2113434 | 86007 | 2 | None | 1 | 4 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 310 | 3 | 4 | 10 | -2.3 | CONC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
25244925 | 208401 | 0 | None | 1 | 3 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 280 | 2 | 4 | 9 | -2.5 | NC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
CHEMBL605866 | 208401 | 0 | None | 1 | 3 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 280 | 2 | 4 | 9 | -2.5 | NC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
46875400 | 208831 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 374 | 3 | 4 | 9 | -0.7 | Nc1ncnc2c1ncn2C1O[C@H](C(=O)NC2CC3CCC2C3)[C@@H](O)[C@H]1O | 10.1021/jm000150k | |||
CHEMBL608596 | 208831 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 374 | 3 | 4 | 9 | -0.7 | Nc1ncnc2c1ncn2C1O[C@H](C(=O)NC2CC3CCC2C3)[C@@H](O)[C@H]1O | 10.1021/jm000150k | |||
46875327 | 208827 | 0 | None | - | 1 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 324 | 4 | 4 | 10 | -1.9 | CCONC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
CHEMBL608587 | 208827 | 0 | None | - | 1 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 324 | 4 | 4 | 10 | -1.9 | CCONC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
10735584 | 86009 | 0 | None | -5 | 4 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 336 | 2 | 4 | 9 | -1.1 | CC(C)(C)NC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
CHEMBL2113436 | 86009 | 0 | None | -5 | 4 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 336 | 2 | 4 | 9 | -1.1 | CC(C)(C)NC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
46875331 | 208828 | 0 | None | - | 1 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 376 | 3 | 4 | 9 | -0.3 | CC1CCCCC1NC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
CHEMBL608591 | 208828 | 0 | None | - | 1 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 376 | 3 | 4 | 9 | -0.3 | CC1CCCCC1NC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm000150k | |||
46875260 | 208925 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 400 | 3 | 4 | 9 | -0.3 | Nc1ncnc2c1ncn2C1O[C@H](C(=O)NC23CC4CC(C2)C(C4)C3)[C@@H](O)[C@H]1O | 10.1021/jm000150k | |||
CHEMBL609179 | 208925 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 400 | 3 | 4 | 9 | -0.3 | Nc1ncnc2c1ncn2C1O[C@H](C(=O)NC23CC4CC(C2)C(C4)C3)[C@@H](O)[C@H]1O | 10.1021/jm000150k | |||
10449535 | 83709 | 0 | None | -15 | 6 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 334 | 3 | 4 | 9 | -1.3 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CCC2)[C@@H](O)[C@H]1O | 10.1021/jm000150k | |||
CHEMBL2070507 | 83709 | 0 | None | -15 | 6 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 334 | 3 | 4 | 9 | -1.3 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CCC2)[C@@H](O)[C@H]1O | 10.1021/jm000150k | |||
10403711 | 103108 | 33 | None | -50 | 9 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 320 | 3 | 4 | 9 | -1.7 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CC2)[C@@H](O)[C@H]1O | 10.1021/jm000150k | |||
CHEMBL261482 | 103108 | 33 | None | -50 | 9 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 320 | 3 | 4 | 9 | -1.7 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CC2)[C@@H](O)[C@H]1O | 10.1021/jm000150k | |||
3352 | 9150 | 28 | None | 15 | 3 | Mouse | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 439 | 18 | 4 | 5 | 4.3 | CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)O)N | 23504326 | |||
5280879 | 9150 | 28 | None | 15 | 3 | Mouse | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 439 | 18 | 4 | 5 | 4.3 | CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)O)N | 23504326 | |||
5863 | 9150 | 28 | None | 15 | 3 | Mouse | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 439 | 18 | 4 | 5 | 4.3 | CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)O)N | 23504326 | |||
CHEMBL509456 | 9150 | 28 | None | 15 | 3 | Mouse | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 439 | 18 | 4 | 5 | 4.3 | CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)O)N | 23504326 |