BDBM50045803 CHEMBL433407::[1-[2-(4-Chloro-phenyl)-ethylcarbamoyl]-2-(1H-indol-3-yl)-1-methyl-ethyl]-carbamic acid adamantan-2-yl ester

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)cc1

InChI Key: InChIKey=DPTKJTLNHCGWTH-YKGOIENJSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50045803   

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))	BDBM50045803 (CHEMBL433407 | [1-[2-(4-Chloro-phenyl)-ethylcarbam...) 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)cc1 |wU:21.23,19.27,17.19,wD:23.26,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:16.23.24:18,(14.26,-12.21,;12.93,-13,;11.6,-13.77,;11.6,-15.31,;12.51,-16.55,;11.62,-17.81,;10.15,-17.34,;8.8,-18.11,;7.47,-17.34,;7.47,-15.8,;8.8,-15.03,;10.13,-15.8,;11.43,-12.58,;10.09,-11.81,;8.99,-12.9,;9.69,-10.32,;8.21,-9.92,;6.46,-9.94,;5.4,-10.97,;4.11,-10.32,;3.57,-8.92,;4.67,-7.87,;6.31,-7.71,;6.88,-9.13,;5.72,-10.23,;5.9,-8.64,;14.26,-13.75,;14.26,-15.29,;15.8,-13.75,;16.57,-12.42,;18.11,-12.42,;18.88,-11.08,;18.09,-9.76,;18.86,-8.43,;20.4,-8.41,;21.17,-7.08,;21.19,-9.76,;20.42,-11.09,)| Show InChI InChI=1S/C31H36ClN3O3/c1-31(17-24-18-34-27-5-3-2-4-26(24)27,29(36)33-11-10-19-6-8-25(32)9-7-19)35-30(37)38-28-22-13-20-12-21(15-22)16-23(28)14-20/h2-9,18,20-23,28,34H,10-17H2,1H3,(H,33,36)(H,35,37)/t20-,21+,22-,23+,28?,31?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39	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)	BDBM50045803 (CHEMBL433407 | [1-[2-(4-Chloro-phenyl)-ethylcarbam...) 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)cc1 |wU:21.23,19.27,17.19,wD:23.26,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:16.23.24:18,(14.26,-12.21,;12.93,-13,;11.6,-13.77,;11.6,-15.31,;12.51,-16.55,;11.62,-17.81,;10.15,-17.34,;8.8,-18.11,;7.47,-17.34,;7.47,-15.8,;8.8,-15.03,;10.13,-15.8,;11.43,-12.58,;10.09,-11.81,;8.99,-12.9,;9.69,-10.32,;8.21,-9.92,;6.46,-9.94,;5.4,-10.97,;4.11,-10.32,;3.57,-8.92,;4.67,-7.87,;6.31,-7.71,;6.88,-9.13,;5.72,-10.23,;5.9,-8.64,;14.26,-13.75,;14.26,-15.29,;15.8,-13.75,;16.57,-12.42,;18.11,-12.42,;18.88,-11.08,;18.09,-9.76,;18.86,-8.43,;20.4,-8.41,;21.17,-7.08,;21.19,-9.76,;20.42,-11.09,)| Show InChI InChI=1S/C31H36ClN3O3/c1-31(17-24-18-34-27-5-3-2-4-26(24)27,29(36)33-11-10-19-6-8-25(32)9-7-19)35-30(37)38-28-22-13-20-12-21(15-22)16-23(28)14-20/h2-9,18,20-23,28,34H,10-17H2,1H3,(H,33,36)(H,35,37)/t20-,21+,22-,23+,28?,31?	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.61E+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