BDBM50045812 CHEMBL99076::[1-Benzylcarbamoyl-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)NCc1ccccc1

InChI Key: InChIKey=SKGADOFSECCZFC-UOZOJKDQSA-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 = 50045812   

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))	BDBM50045812 (CHEMBL99076 | [1-Benzylcarbamoyl-2-(1H-indol-3-yl)...) Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCc1ccccc1 |wU:21.28,19.20,23.24,wD:17.19,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(19.72,-14.36,;18.39,-15.14,;17.06,-15.91,;17.08,-17.46,;17.99,-18.7,;17.09,-19.96,;15.62,-19.49,;14.26,-20.26,;12.93,-19.49,;12.93,-17.94,;14.26,-17.17,;15.61,-17.94,;16.9,-14.73,;15.56,-13.96,;14.47,-15.05,;15.17,-12.47,;13.68,-12.07,;12.35,-11.28,;11.78,-9.87,;10.15,-10.02,;9.04,-11.07,;9.59,-12.47,;10.86,-13.12,;11.93,-12.09,;11.37,-10.79,;11.2,-12.37,;19.72,-15.9,;19.72,-17.44,;21.26,-15.9,;22.03,-14.57,;23.57,-14.57,;24.34,-13.24,;25.88,-13.21,;26.65,-14.56,;25.88,-15.9,;24.34,-15.9,)| Show InChI InChI=1S/C30H35N3O3/c1-30(28(34)32-17-19-7-3-2-4-8-19,16-24-18-31-26-10-6-5-9-25(24)26)33-29(35)36-27-22-12-20-11-21(14-22)15-23(27)13-20/h2-10,18,20-23,27,31H,11-17H2,1H3,(H,32,34)(H,33,35)/t20-,21+,22-,23+,27?,30?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	231	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)	BDBM50045812 (CHEMBL99076 | [1-Benzylcarbamoyl-2-(1H-indol-3-yl)...) Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCc1ccccc1 |wU:21.28,19.20,23.24,wD:17.19,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(19.72,-14.36,;18.39,-15.14,;17.06,-15.91,;17.08,-17.46,;17.99,-18.7,;17.09,-19.96,;15.62,-19.49,;14.26,-20.26,;12.93,-19.49,;12.93,-17.94,;14.26,-17.17,;15.61,-17.94,;16.9,-14.73,;15.56,-13.96,;14.47,-15.05,;15.17,-12.47,;13.68,-12.07,;12.35,-11.28,;11.78,-9.87,;10.15,-10.02,;9.04,-11.07,;9.59,-12.47,;10.86,-13.12,;11.93,-12.09,;11.37,-10.79,;11.2,-12.37,;19.72,-15.9,;19.72,-17.44,;21.26,-15.9,;22.03,-14.57,;23.57,-14.57,;24.34,-13.24,;25.88,-13.21,;26.65,-14.56,;25.88,-15.9,;24.34,-15.9,)| Show InChI InChI=1S/C30H35N3O3/c1-30(28(34)32-17-19-7-3-2-4-8-19,16-24-18-31-26-10-6-5-9-25(24)26)33-29(35)36-27-22-12-20-11-21(14-22)15-23(27)13-20/h2-10,18,20-23,27,31H,11-17H2,1H3,(H,32,34)(H,33,35)/t20-,21+,22-,23+,27?,30?	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.10E+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