Found 2 hits for monomerid = 50045798 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)) | BDBM50045798
(CHEMBL319120 | [1-[2-(2,4-Dichloro-phenyl)-ethylca...)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccc(Cl)cc1Cl |wU:21.28,19.20,23.24,wD:17.29,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(16.99,-12.55,;15.66,-13.33,;14.35,-14.1,;14.36,-15.66,;15.27,-16.89,;14.36,-18.15,;12.89,-17.69,;11.55,-18.46,;10.22,-17.69,;10.22,-16.13,;11.55,-15.36,;12.89,-16.13,;14.17,-12.93,;12.84,-12.16,;11.74,-13.24,;12.44,-10.67,;10.95,-10.27,;9.62,-9.47,;9.06,-8.06,;7.43,-8.21,;6.31,-9.26,;6.87,-10.67,;8.14,-11.32,;9.22,-10.27,;8.64,-8.98,;8.48,-10.58,;17.01,-14.1,;16.99,-15.63,;18.55,-14.09,;19.3,-12.76,;20.84,-12.76,;21.61,-11.42,;20.84,-10.1,;21.61,-8.77,;23.15,-8.76,;23.92,-7.43,;23.92,-10.1,;23.15,-11.43,;23.92,-12.76,)| Show InChI InChI=1S/C31H35Cl2N3O3/c1-31(16-23-17-35-27-5-3-2-4-25(23)27,29(37)34-9-8-20-6-7-24(32)15-26(20)33)36-30(38)39-28-21-11-18-10-19(13-21)14-22(28)12-18/h2-7,15,17-19,21-22,28,35H,8-14,16H2,1H3,(H,34,37)(H,36,38)/t18-,19+,21-,22+,28?,31? | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 27 | 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) | BDBM50045798
(CHEMBL319120 | [1-[2-(2,4-Dichloro-phenyl)-ethylca...)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccc(Cl)cc1Cl |wU:21.28,19.20,23.24,wD:17.29,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(16.99,-12.55,;15.66,-13.33,;14.35,-14.1,;14.36,-15.66,;15.27,-16.89,;14.36,-18.15,;12.89,-17.69,;11.55,-18.46,;10.22,-17.69,;10.22,-16.13,;11.55,-15.36,;12.89,-16.13,;14.17,-12.93,;12.84,-12.16,;11.74,-13.24,;12.44,-10.67,;10.95,-10.27,;9.62,-9.47,;9.06,-8.06,;7.43,-8.21,;6.31,-9.26,;6.87,-10.67,;8.14,-11.32,;9.22,-10.27,;8.64,-8.98,;8.48,-10.58,;17.01,-14.1,;16.99,-15.63,;18.55,-14.09,;19.3,-12.76,;20.84,-12.76,;21.61,-11.42,;20.84,-10.1,;21.61,-8.77,;23.15,-8.76,;23.92,-7.43,;23.92,-10.1,;23.15,-11.43,;23.92,-12.76,)| Show InChI InChI=1S/C31H35Cl2N3O3/c1-31(16-23-17-35-27-5-3-2-4-25(23)27,29(37)34-9-8-20-6-7-24(32)15-26(20)33)36-30(38)39-28-21-11-18-10-19(13-21)14-22(28)12-18/h2-7,15,17-19,21-22,28,35H,8-14,16H2,1H3,(H,34,37)(H,36,38)/t18-,19+,21-,22+,28?,31? | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3.16E+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 | |