Found 2 hits for monomerid = 50045810 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
(Homo sapiens (Human)) | BDBM50045810
(3-{[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol...)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCC(O)=O)CCc1ccccc1 |wU:23.26,wD:21.23,19.27,17.29,TLB:24:19:25:16.23.22,15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:16.23.24:18,(12.3,-9.53,;10.97,-10.3,;9.66,-11.08,;9.67,-12.62,;10.58,-13.86,;9.67,-15.12,;8.2,-14.65,;6.86,-15.42,;5.53,-14.65,;5.53,-13.11,;6.86,-12.33,;8.2,-13.1,;9.48,-9.9,;8.14,-9.13,;7.05,-10.2,;7.75,-7.64,;6.26,-7.24,;4.93,-6.44,;4.37,-5.02,;2.74,-5.18,;1.62,-6.23,;2.18,-7.64,;3.45,-8.28,;4.51,-7.24,;3.95,-5.95,;3.79,-7.54,;12.32,-11.07,;12.3,-12.61,;13.86,-11.07,;14.63,-12.4,;16.17,-12.4,;16.94,-13.73,;18.48,-13.73,;16.17,-15.06,;14.61,-9.73,;16.15,-9.73,;16.92,-8.38,;16.15,-7.07,;16.92,-5.74,;18.46,-5.72,;19.23,-7.07,;18.46,-8.4,)| Show InChI InChI=1S/C34H41N3O5/c1-34(20-27-21-35-29-10-6-5-9-28(27)29,32(40)37(14-12-30(38)39)13-11-22-7-3-2-4-8-22)36-33(41)42-31-25-16-23-15-24(18-25)19-26(31)17-23/h2-10,21,23-26,31,35H,11-20H2,1H3,(H,36,41)(H,38,39)/t23-,24+,25-,26+,31?,34? | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type B receptor in guinea pig brain cortex |
J Med Chem 36: 2868-77 (1993)
BindingDB Entry DOI: 10.7270/Q2MG7NK5 |
More data for this Ligand-Target Pair | |
Cholecystokinin A receptor
(Cavia porcellus) | BDBM50045810
(3-{[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol...)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCC(O)=O)CCc1ccccc1 |wU:23.26,wD:21.23,19.27,17.29,TLB:24:19:25:16.23.22,15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:16.23.24:18,(12.3,-9.53,;10.97,-10.3,;9.66,-11.08,;9.67,-12.62,;10.58,-13.86,;9.67,-15.12,;8.2,-14.65,;6.86,-15.42,;5.53,-14.65,;5.53,-13.11,;6.86,-12.33,;8.2,-13.1,;9.48,-9.9,;8.14,-9.13,;7.05,-10.2,;7.75,-7.64,;6.26,-7.24,;4.93,-6.44,;4.37,-5.02,;2.74,-5.18,;1.62,-6.23,;2.18,-7.64,;3.45,-8.28,;4.51,-7.24,;3.95,-5.95,;3.79,-7.54,;12.32,-11.07,;12.3,-12.61,;13.86,-11.07,;14.63,-12.4,;16.17,-12.4,;16.94,-13.73,;18.48,-13.73,;16.17,-15.06,;14.61,-9.73,;16.15,-9.73,;16.92,-8.38,;16.15,-7.07,;16.92,-5.74,;18.46,-5.72,;19.23,-7.07,;18.46,-8.4,)| Show InChI InChI=1S/C34H41N3O5/c1-34(20-27-21-35-29-10-6-5-9-28(27)29,32(40)37(14-12-30(38)39)13-11-22-7-3-2-4-8-22)36-33(41)42-31-25-16-23-15-24(18-25)19-26(31)17-23/h2-10,21,23-26,31,35H,11-20H2,1H3,(H,36,41)(H,38,39)/t23-,24+,25-,26+,31?,34? | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type A receptor in guinea pig pancreatic membranes |
J Med Chem 36: 2868-77 (1993)
BindingDB Entry DOI: 10.7270/Q2MG7NK5 |
More data for this Ligand-Target Pair | |