Found 2 hits for monomerid = 50007449 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Cholecystokinin receptor
(RAT) | BDBM50007449
(3-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-ind...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)C=CC(O)=O)Cc1ccccc1 |w:35.40,wU:19.27,17.29,23.24,29.33,1.0,wD:1.13,21.23,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:18:16.23.24,20:21:16:19.18.24,(21.99,-13.05,;21.9,-11.54,;21.87,-10,;22.97,-8.93,;22.07,-7.68,;22.97,-6.43,;24.44,-6.91,;25.76,-6.13,;27.11,-6.9,;27.11,-8.45,;25.76,-9.23,;24.44,-8.45,;20.56,-12.33,;19.21,-11.57,;19.21,-10.03,;17.89,-12.34,;16.34,-12.33,;15.36,-11.17,;13.94,-10.98,;13.27,-12.31,;11.63,-12.89,;13.16,-13.21,;14.16,-14.35,;15.65,-13.69,;14.23,-13.36,;13.88,-11.79,;23.22,-12.3,;24.56,-11.5,;23.24,-13.84,;24.59,-14.59,;24.6,-16.13,;23.28,-16.92,;23.29,-18.46,;24.63,-19.21,;21.96,-19.24,;20.62,-18.49,;19.3,-19.27,;17.95,-18.5,;19.31,-20.82,;25.92,-13.82,;27.26,-14.58,;28.57,-13.78,;29.9,-14.54,;29.93,-16.1,;28.61,-16.87,;27.26,-16.12,)| Show InChI InChI=1S/C36H42N4O6/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,40-35(45)46-33-25-14-23-13-24(16-25)17-26(33)15-23)34(44)39-28(18-22-7-3-2-4-8-22)21-38-31(41)11-12-32(42)43/h2-12,20,23-26,28,33,37H,13-19,21H2,1H3,(H,38,41)(H,39,44)(H,40,45)(H,42,43)/t23-,24+,25-,26+,28-,33?,36+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas cholecystokinin type A receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this Ligand-Target Pair | |
Cholecystokinin receptor
(MOUSE) | BDBM50007449
(3-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-ind...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)C=CC(O)=O)Cc1ccccc1 |w:35.40,wU:19.27,17.29,23.24,29.33,1.0,wD:1.13,21.23,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:18:16.23.24,20:21:16:19.18.24,(21.99,-13.05,;21.9,-11.54,;21.87,-10,;22.97,-8.93,;22.07,-7.68,;22.97,-6.43,;24.44,-6.91,;25.76,-6.13,;27.11,-6.9,;27.11,-8.45,;25.76,-9.23,;24.44,-8.45,;20.56,-12.33,;19.21,-11.57,;19.21,-10.03,;17.89,-12.34,;16.34,-12.33,;15.36,-11.17,;13.94,-10.98,;13.27,-12.31,;11.63,-12.89,;13.16,-13.21,;14.16,-14.35,;15.65,-13.69,;14.23,-13.36,;13.88,-11.79,;23.22,-12.3,;24.56,-11.5,;23.24,-13.84,;24.59,-14.59,;24.6,-16.13,;23.28,-16.92,;23.29,-18.46,;24.63,-19.21,;21.96,-19.24,;20.62,-18.49,;19.3,-19.27,;17.95,-18.5,;19.31,-20.82,;25.92,-13.82,;27.26,-14.58,;28.57,-13.78,;29.9,-14.54,;29.93,-16.1,;28.61,-16.87,;27.26,-16.12,)| Show InChI InChI=1S/C36H42N4O6/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,40-35(45)46-33-25-14-23-13-24(16-25)17-26(33)15-23)34(44)39-28(18-22-7-3-2-4-8-22)21-38-31(41)11-12-32(42)43/h2-12,20,23-26,28,33,37H,13-19,21H2,1H3,(H,38,41)(H,39,44)(H,40,45)(H,42,43)/t23-,24+,25-,26+,28-,33?,36+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex cholecystokinin type B receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this Ligand-Target Pair | |