BDBM50045818 CHEMBL95115::[2-(1H-Indol-3-yl)-1-methyl-1-(2-naphthalen-1-yl-ethylcarbamoyl)-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)NCCc1cccc2ccccc12

InChI Key: InChIKey=SLBLGMBJPJLBTA-JYQBMIDVSA-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 = 50045818   

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))	BDBM50045818 (CHEMBL95115 | [2-(1H-Indol-3-yl)-1-methyl-1-(2-nap...) Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1cccc2ccccc12 |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,(9.96,-9.54,;8.63,-10.31,;7.31,-11.09,;7.32,-12.64,;8.23,-13.87,;7.32,-15.13,;5.85,-14.67,;4.51,-15.44,;3.18,-14.67,;3.18,-13.13,;4.51,-12.34,;5.85,-13.11,;7.13,-9.91,;5.8,-9.14,;4.7,-10.21,;5.4,-7.65,;3.91,-7.25,;2.17,-7.25,;1.1,-8.29,;-.18,-7.65,;-.74,-6.24,;.38,-5.19,;2.02,-5.03,;2.58,-6.45,;1.43,-7.55,;1.6,-5.96,;9.97,-11.08,;9.96,-12.62,;11.51,-11.08,;12.27,-9.74,;13.81,-9.74,;14.58,-8.39,;13.81,-7.08,;14.57,-5.75,;16.12,-5.73,;16.89,-7.08,;18.41,-7.08,;19.18,-8.39,;18.41,-9.72,;16.89,-9.72,;16.12,-8.39,)| Show InChI InChI=1S/C35H39N3O3/c1-35(20-28-21-37-31-12-5-4-11-30(28)31,33(39)36-14-13-25-9-6-8-24-7-2-3-10-29(24)25)38-34(40)41-32-26-16-22-15-23(18-26)19-27(32)17-22/h2-12,21-23,26-27,32,37H,13-20H2,1H3,(H,36,39)(H,38,40)/t22-,23+,26-,27+,32?,35?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	89	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)	BDBM50045818 (CHEMBL95115 | [2-(1H-Indol-3-yl)-1-methyl-1-(2-nap...) Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1cccc2ccccc12 |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,(9.96,-9.54,;8.63,-10.31,;7.31,-11.09,;7.32,-12.64,;8.23,-13.87,;7.32,-15.13,;5.85,-14.67,;4.51,-15.44,;3.18,-14.67,;3.18,-13.13,;4.51,-12.34,;5.85,-13.11,;7.13,-9.91,;5.8,-9.14,;4.7,-10.21,;5.4,-7.65,;3.91,-7.25,;2.17,-7.25,;1.1,-8.29,;-.18,-7.65,;-.74,-6.24,;.38,-5.19,;2.02,-5.03,;2.58,-6.45,;1.43,-7.55,;1.6,-5.96,;9.97,-11.08,;9.96,-12.62,;11.51,-11.08,;12.27,-9.74,;13.81,-9.74,;14.58,-8.39,;13.81,-7.08,;14.57,-5.75,;16.12,-5.73,;16.89,-7.08,;18.41,-7.08,;19.18,-8.39,;18.41,-9.72,;16.89,-9.72,;16.12,-8.39,)| Show InChI InChI=1S/C35H39N3O3/c1-35(20-28-21-37-31-12-5-4-11-30(28)31,33(39)36-14-13-25-9-6-8-24-7-2-3-10-29(24)25)38-34(40)41-32-26-16-22-15-23(18-26)19-27(32)17-22/h2-12,21-23,26-27,32,37H,13-20H2,1H3,(H,36,39)(H,38,40)/t22-,23+,26-,27+,32?,35?	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.37E+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