Ligand source activities (1 row/activity)
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Activity | Chemical information | |||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID |
Reference ligand |
Vendors |
Species |
Assay Type |
Activity Type |
Activity Relation |
Activity Value |
p-value (-log) |
Fold selectivity |
Tested GPCRs |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
|
172463086 | 196614 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | 4 | 2 | ChEMBL | 330 | 7 | 3 | 7 | 1.9 | C[C@H](CO)Nc1nc(SCCc2ccccc2)nc2[nH]nnc12 | 10.1016/j.ejmech.2023.115240 | |||
CHEMBL5427907 | 196614 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | 4 | 2 | ChEMBL | 330 | 7 | 3 | 7 | 1.9 | C[C@H](CO)Nc1nc(SCCc2ccccc2)nc2[nH]nnc12 | 10.1016/j.ejmech.2023.115240 | |||
172441907 | 194981 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | 3 | 2 | ChEMBL | 336 | 7 | 3 | 7 | 2.6 | C[C@H](CO)Nc1nc(SCCC2CCCCC2)nc2[nH]nnc12 | 10.1016/j.ejmech.2023.115240 | |||
CHEMBL5394402 | 194981 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | 3 | 2 | ChEMBL | 336 | 7 | 3 | 7 | 2.6 | C[C@H](CO)Nc1nc(SCCC2CCCCC2)nc2[nH]nnc12 | 10.1016/j.ejmech.2023.115240 | |||
163322282 | 191744 | None | 3 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -478 | 2 | ChEMBL | 352 | 6 | 2 | 7 | 3.0 | C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2oncc12 | 10.1016/j.ejmech.2023.115240 | |||
CHEMBL5195797 | 191744 | None | 3 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -478 | 2 | ChEMBL | 352 | 6 | 2 | 7 | 3.0 | C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2oncc12 | 10.1016/j.ejmech.2023.115240 | |||
172454542 | 195701 | None | 0 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -1 | 2 | ChEMBL | 352 | 7 | 2 | 7 | 2.4 | COCCNc1nc(SCc2cccc(F)c2F)nc2[nH]nnc12 | 10.1016/j.ejmech.2023.115240 | |||
CHEMBL5409317 | 195701 | None | 0 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -1 | 2 | ChEMBL | 352 | 7 | 2 | 7 | 2.4 | COCCNc1nc(SCc2cccc(F)c2F)nc2[nH]nnc12 | 10.1016/j.ejmech.2023.115240 | |||
145985766 | 165789 | None | 0 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -1862 | 3 | ChEMBL | 504 | 6 | 2 | 6 | 4.5 | NC(=O)c1ccc(-c2ccc(S(=O)(=O)[C@H]3CC[C@H](Nc4ccc(C(F)(F)F)cn4)CC3)cc2)cn1 | 10.1016/j.bmcl.2018.07.042 | |||
CHEMBL4245355 | 165789 | None | 0 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -1862 | 3 | ChEMBL | 504 | 6 | 2 | 6 | 4.5 | NC(=O)c1ccc(-c2ccc(S(=O)(=O)[C@H]3CC[C@H](Nc4ccc(C(F)(F)F)cn4)CC3)cc2)cn1 | 10.1016/j.bmcl.2018.07.042 | |||
172465121 | 196772 | None | 0 | Human | Functional | pIC50 | = | 4.7 | 4.7 | -4 | 2 | ChEMBL | 352 | 7 | 3 | 7 | 2.1 | OCCCNc1nc(SCc2cccc(F)c2F)nc2[nH]nnc12 | 10.1016/j.ejmech.2023.115240 | |||
CHEMBL5431899 | 196772 | None | 0 | Human | Functional | pIC50 | = | 4.7 | 4.7 | -4 | 2 | ChEMBL | 352 | 7 | 3 | 7 | 2.1 | OCCCNc1nc(SCc2cccc(F)c2F)nc2[nH]nnc12 | 10.1016/j.ejmech.2023.115240 | |||
172467317 | 196928 | None | 0 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 308 | 5 | 3 | 7 | 2.0 | C[C@H](CO)Nc1nc(SC2CCCCC2)nc2[nH]nnc12 | 10.1016/j.ejmech.2023.115240 | |||
CHEMBL5435008 | 196928 | None | 0 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 308 | 5 | 3 | 7 | 2.0 | C[C@H](CO)Nc1nc(SC2CCCCC2)nc2[nH]nnc12 | 10.1016/j.ejmech.2023.115240 | |||
172449533 | 195622 | None | 0 | Human | Functional | pIC50 | = | 5.6 | 5.6 | -5 | 2 | ChEMBL | 366 | 6 | 3 | 7 | 2.5 | CC(C)(CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]nnc12 | 10.1016/j.ejmech.2023.115240 | |||
CHEMBL5407300 | 195622 | None | 0 | Human | Functional | pIC50 | = | 5.6 | 5.6 | -5 | 2 | ChEMBL | 366 | 6 | 3 | 7 | 2.5 | CC(C)(CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]nnc12 | 10.1016/j.ejmech.2023.115240 | |||
172445880 | 195146 | None | 0 | Human | Functional | pIC50 | = | 4.6 | 4.6 | -5 | 2 | ChEMBL | 336 | 6 | 3 | 7 | 1.4 | C[C@H](CO)Nc1nc(OCc2cccc(F)c2F)nc2[nH]nnc12 | 10.1016/j.ejmech.2023.115240 | |||
CHEMBL5397416 | 195146 | None | 0 | Human | Functional | pIC50 | = | 4.6 | 4.6 | -5 | 2 | ChEMBL | 336 | 6 | 3 | 7 | 1.4 | C[C@H](CO)Nc1nc(OCc2cccc(F)c2F)nc2[nH]nnc12 | 10.1016/j.ejmech.2023.115240 | |||
163322284 | 190266 | None | 3 | Human | Functional | pIC50 | = | 5.6 | 5.6 | -14 | 2 | ChEMBL | 352 | 6 | 3 | 7 | 2.1 | C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]nnc12 | 10.1016/j.ejmech.2023.115240 | |||
CHEMBL5173775 | 190266 | None | 3 | Human | Functional | pIC50 | = | 5.6 | 5.6 | -14 | 2 | ChEMBL | 352 | 6 | 3 | 7 | 2.1 | C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]nnc12 | 10.1016/j.ejmech.2023.115240 | |||
172454278 | 196016 | None | 0 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 312 | 9 | 3 | 8 | 1.1 | CCCOCCSc1nc(N[C@H](C)CO)c2nn[nH]c2n1 | 10.1016/j.ejmech.2023.115240 | |||
CHEMBL5415154 | 196016 | None | 0 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 312 | 9 | 3 | 8 | 1.1 | CCCOCCSc1nc(N[C@H](C)CO)c2nn[nH]c2n1 | 10.1016/j.ejmech.2023.115240 | |||
172465276 | 196906 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | 3 | 2 | ChEMBL | 322 | 6 | 3 | 7 | 2.2 | C[C@H](CO)Nc1nc(SCC2CCCCC2)nc2[nH]nnc12 | 10.1016/j.ejmech.2023.115240 | |||
CHEMBL5434552 | 196906 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | 3 | 2 | ChEMBL | 322 | 6 | 3 | 7 | 2.2 | C[C@H](CO)Nc1nc(SCC2CCCCC2)nc2[nH]nnc12 | 10.1016/j.ejmech.2023.115240 | |||
170901566 | 197174 | None | 1 | Human | Functional | pIC50 | = | 6.4 | 6.4 | 12 | 2 | ChEMBL | 310 | 9 | 3 | 7 | 2.2 | CCCCCCSc1nc(N[C@H](C)CO)c2nn[nH]c2n1 | 10.1016/j.ejmech.2023.115240 | |||
CHEMBL5440411 | 197174 | None | 1 | Human | Functional | pIC50 | = | 6.4 | 6.4 | 12 | 2 | ChEMBL | 310 | 9 | 3 | 7 | 2.2 | CCCCCCSc1nc(N[C@H](C)CO)c2nn[nH]c2n1 | 10.1016/j.ejmech.2023.115240 | |||
8497 | 2737 | None | 41 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -977 | 4 | ChEMBL | 397 | 7 | 3 | 7 | 2.9 | CC[C@H](c1ccc(o1)C)NC1=C(C(=O)C1=O)Nc1cccc(c1O)C(=O)N(C)C | 10.1016/j.ejmech.2023.115240 | |||
9865554 | 2737 | None | 41 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -977 | 4 | ChEMBL | 397 | 7 | 3 | 7 | 2.9 | CC[C@H](c1ccc(o1)C)NC1=C(C(=O)C1=O)Nc1cccc(c1O)C(=O)N(C)C | 10.1016/j.ejmech.2023.115240 | |||
CHEMBL216981 | 2737 | None | 41 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -977 | 4 | ChEMBL | 397 | 7 | 3 | 7 | 2.9 | CC[C@H](c1ccc(o1)C)NC1=C(C(=O)C1=O)Nc1cccc(c1O)C(=O)N(C)C | 10.1016/j.ejmech.2023.115240 | |||
172450974 | 195735 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | 2 | 2 | ChEMBL | 324 | 9 | 3 | 7 | 2.5 | CC(C)CCCCSc1nc(N[C@H](C)CO)c2nn[nH]c2n1 | 10.1016/j.ejmech.2023.115240 | |||
CHEMBL5409816 | 195735 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | 2 | 2 | ChEMBL | 324 | 9 | 3 | 7 | 2.5 | CC(C)CCCCSc1nc(N[C@H](C)CO)c2nn[nH]c2n1 | 10.1016/j.ejmech.2023.115240 | |||
172446176 | 195522 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -28 | 2 | ChEMBL | 366 | 7 | 3 | 7 | 2.5 | CC[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]nnc12 | 10.1016/j.ejmech.2023.115240 | |||
CHEMBL5405321 | 195522 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -28 | 2 | ChEMBL | 366 | 7 | 3 | 7 | 2.5 | CC[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]nnc12 | 10.1016/j.ejmech.2023.115240 | |||
172450141 | 195840 | None | 0 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -1 | 2 | ChEMBL | 355 | 6 | 2 | 7 | 2.4 | OCCSc1nc(SCc2cccc(F)c2F)nc2[nH]nnc12 | 10.1016/j.ejmech.2023.115240 | |||
CHEMBL5411713 | 195840 | None | 0 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -1 | 2 | ChEMBL | 355 | 6 | 2 | 7 | 2.4 | OCCSc1nc(SCc2cccc(F)c2F)nc2[nH]nnc12 | 10.1016/j.ejmech.2023.115240 | |||
172450116 | 195812 | None | 0 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -2 | 2 | ChEMBL | 308 | 6 | 3 | 7 | 1.8 | C[C@H](CO)Nc1nc(SCC2CCCC2)nc2[nH]nnc12 | 10.1016/j.ejmech.2023.115240 | |||
CHEMBL5411165 | 195812 | None | 0 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -2 | 2 | ChEMBL | 308 | 6 | 3 | 7 | 1.8 | C[C@H](CO)Nc1nc(SCC2CCCC2)nc2[nH]nnc12 | 10.1016/j.ejmech.2023.115240 | |||
172461550 | 196824 | None | 0 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -3 | 2 | ChEMBL | 352 | 6 | 3 | 7 | 2.1 | C[C@@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]nnc12 | 10.1016/j.ejmech.2023.115240 | |||
CHEMBL5432877 | 196824 | None | 0 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -3 | 2 | ChEMBL | 352 | 6 | 3 | 7 | 2.1 | C[C@@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]nnc12 | 10.1016/j.ejmech.2023.115240 | |||
172455714 | 196121 | None | 0 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -3 | 2 | ChEMBL | 366 | 7 | 3 | 7 | 2.5 | C[C@H](CCO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]nnc12 | 10.1016/j.ejmech.2023.115240 | |||
CHEMBL5417284 | 196121 | None | 0 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -3 | 2 | ChEMBL | 366 | 7 | 3 | 7 | 2.5 | C[C@H](CCO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]nnc12 | 10.1016/j.ejmech.2023.115240 | |||
136165388 | 196848 | None | 17 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 2 | ChEMBL | 475 | 4 | 3 | 7 | 3.1 | Cc1ccc([C@H](NC2=NS(=O)(=O)N=C2Nc2ccc(C)c(C(=O)N(C)C)c2O)C(C)(C)C)o1 | 10.1016/j.ejmech.2023.115240 | |||
CHEMBL5433301 | 196848 | None | 17 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 2 | ChEMBL | 475 | 4 | 3 | 7 | 3.1 | Cc1ccc([C@H](NC2=NS(=O)(=O)N=C2Nc2ccc(C)c(C(=O)N(C)C)c2O)C(C)(C)C)o1 | 10.1016/j.ejmech.2023.115240 | |||
172454055 | 195717 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -3 | 2 | ChEMBL | 310 | 8 | 3 | 7 | 2.1 | CCCC(C)CSc1nc(N[C@H](C)CO)c2nn[nH]c2n1 | 10.1016/j.ejmech.2023.115240 | |||
CHEMBL5409489 | 195717 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -3 | 2 | ChEMBL | 310 | 8 | 3 | 7 | 2.1 | CCCC(C)CSc1nc(N[C@H](C)CO)c2nn[nH]c2n1 | 10.1016/j.ejmech.2023.115240 | |||
172449877 | 196054 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -2 | 2 | ChEMBL | 338 | 6 | 3 | 7 | 1.7 | OCCNc1nc(SCc2cccc(F)c2F)nc2[nH]nnc12 | 10.1016/j.ejmech.2023.115240 | |||
CHEMBL5415857 | 196054 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -2 | 2 | ChEMBL | 338 | 6 | 3 | 7 | 1.7 | OCCNc1nc(SCc2cccc(F)c2F)nc2[nH]nnc12 | 10.1016/j.ejmech.2023.115240 | |||
134817249 | 165922 | None | 19 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -20892 | 3 | ChEMBL | 504 | 6 | 2 | 6 | 4.5 | NC(=O)c1cc(-c2ccc(S(=O)(=O)[C@H]3CC[C@H](Nc4ccc(C(F)(F)F)cn4)CC3)cc2)ccn1 | 10.1016/j.bmcl.2018.07.042 | |||
CHEMBL4248604 | 165922 | None | 19 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -20892 | 3 | ChEMBL | 504 | 6 | 2 | 6 | 4.5 | NC(=O)c1cc(-c2ccc(S(=O)(=O)[C@H]3CC[C@H](Nc4ccc(C(F)(F)F)cn4)CC3)cc2)ccn1 | 10.1016/j.bmcl.2018.07.042 | |||
8652 | 845 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | Guide to Pharmacology | None | None | None | None | 16904643 | |||||
810 | 834 | None | 0 | Human | Functional | pIC50 | = | 8.4 | 8.4 | -2 | 3 | Guide to Pharmacology | None | None | None | None | 16904643 | |||||
810 | 834 | None | 0 | Human | Functional | pIC50 | = | 8.4 | 8.4 | -2 | 3 | Guide to Pharmacology | None | None | None | None | 9153236 | |||||
810 | 834 | None | 0 | Human | Functional | pIC50 | = | 8.4 | 8.4 | -2 | 3 | Guide to Pharmacology | None | None | None | None | 9507024 | |||||
811 | 843 | None | 0 | Human | Functional | pIC50 | = | 9.3 | 9.3 | 12 | 2 | Guide to Pharmacology | None | None | None | None | 9507024 |
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Activity | Chemical information | |||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID |
Reference ligand |
Vendors |
Species |
Assay Type |
Activity Type |
Activity Relation |
Activity Value |
p-value (-log) |
Fold selectivity |
Tested GPCRs |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
|
183790 | 3742 | None | 8 | Human | Binding | pIC50 | = | 8.9 | 8.9 | - | 2 | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/acs.jmedchem.9b01701 | |||
783 | 3742 | None | 8 | Human | Binding | pIC50 | = | 8.9 | 8.9 | - | 2 | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/acs.jmedchem.9b01701 | |||
CHEMBL1178786 | 3742 | None | 8 | Human | Binding | pIC50 | = | 8.9 | 8.9 | - | 2 | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/acs.jmedchem.9b01701 | |||
170901566 | 197174 | None | 1 | Human | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 310 | 9 | 3 | 7 | 2.2 | CCCCCCSc1nc(N[C@H](C)CO)c2nn[nH]c2n1 | 10.1016/j.ejmech.2023.115240 | |||
CHEMBL5440411 | 197174 | None | 1 | Human | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 310 | 9 | 3 | 7 | 2.2 | CCCCCCSc1nc(N[C@H](C)CO)c2nn[nH]c2n1 | 10.1016/j.ejmech.2023.115240 | |||
11285792 | 879 | None | 32 | Human | Binding | pIC50 | = | 8.5 | 8.5 | - | 0 | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/acs.jmedchem.9b01701 | |||
801 | 879 | None | 32 | Human | Binding | pIC50 | = | 8.5 | 8.5 | - | 0 | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/acs.jmedchem.9b01701 | |||
CHEMBL2110727 | 879 | None | 32 | Human | Binding | pIC50 | = | 8.5 | 8.5 | - | 0 | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/acs.jmedchem.9b01701 | |||
DB11758 | 879 | None | 32 | Human | Binding | pIC50 | = | 8.5 | 8.5 | - | 0 | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/acs.jmedchem.9b01701 | |||
810 | 834 | None | 0 | Human | Binding | pKd | = | 10 | 10.0 | 39 | 3 | Guide to Pharmacology | None | None | None | None | 10512740 | |||||
8652 | 845 | None | 0 | Human | Binding | pKd | = | 9.9 | 9.9 | - | 1 | Guide to Pharmacology | None | None | None | None | 10512740 |