BDBM50005827 CHEMBL34422::[1-(1H-Indol-3-ylmethyl)-1-methyl-5-phenyl-pent-2-enyl]-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=C\CCc1ccccc1

InChI Key: InChIKey=IKKQWXRIVFOFKI-BQNBMFHUSA-N

Data: 2 IC50

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 = 50005827   

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 (MOUSE)	BDBM50005827 (CHEMBL34422 | [1-(1H-Indol-3-ylmethyl)-1-methyl-5-...) Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)\C=C\CCc1ccccc1 |wU:21.28,wD:19.20,23.24,17.29,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,20:21:16:19.24.18,(13.87,-8.6,;13.1,-7.26,;11.85,-6.36,;12.01,-4.82,;10.85,-3.82,;11.48,-2.41,;13,-2.54,;14.15,-1.52,;15.6,-1.97,;15.94,-3.5,;14.8,-4.53,;13.34,-4.05,;12.33,-8.6,;10.79,-8.58,;10.04,-7.23,;10.01,-9.89,;8.47,-9.86,;8.47,-11.39,;7.44,-12.65,;6.04,-12.09,;4.53,-12.51,;5.74,-11.24,;5.72,-9.76,;7.07,-9.28,;6.03,-10.5,;7.06,-11.72,;14.63,-7.15,;15.49,-8.41,;17.01,-8.32,;17.88,-9.59,;19.26,-8.86,;20.54,-9.7,;21.92,-8.99,;21.98,-7.45,;20.67,-6.62,;19.31,-7.35,)| Show InChI InChI=1S/C32H38N2O2/c1-32(14-8-7-11-22-9-3-2-4-10-22,20-27-21-33-29-13-6-5-12-28(27)29)34-31(35)36-30-25-16-23-15-24(18-25)19-26(30)17-23/h2-6,8-10,12-14,21,23-26,30,33H,7,11,15-20H2,1H3,(H,34,35)/b14-8+/t23-,24+,25-,26+,30?,32?	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Neuroscience Research Center Curated by ChEMBL					Assay Description Inhibition of [125I]CCK-8 binding to cholecystokinin type B receptor in the mouse cerebral cortex				J Med Chem 35: 1472-84 (1992) BindingDB Entry DOI: 10.7270/Q2H41S3W
					More data for this Ligand-Target Pair
Cholecystokinin receptor (RAT)	BDBM50005827 (CHEMBL34422 | [1-(1H-Indol-3-ylmethyl)-1-methyl-5-...) Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)\C=C\CCc1ccccc1 |wU:21.28,wD:19.20,23.24,17.29,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,20:21:16:19.24.18,(13.87,-8.6,;13.1,-7.26,;11.85,-6.36,;12.01,-4.82,;10.85,-3.82,;11.48,-2.41,;13,-2.54,;14.15,-1.52,;15.6,-1.97,;15.94,-3.5,;14.8,-4.53,;13.34,-4.05,;12.33,-8.6,;10.79,-8.58,;10.04,-7.23,;10.01,-9.89,;8.47,-9.86,;8.47,-11.39,;7.44,-12.65,;6.04,-12.09,;4.53,-12.51,;5.74,-11.24,;5.72,-9.76,;7.07,-9.28,;6.03,-10.5,;7.06,-11.72,;14.63,-7.15,;15.49,-8.41,;17.01,-8.32,;17.88,-9.59,;19.26,-8.86,;20.54,-9.7,;21.92,-8.99,;21.98,-7.45,;20.67,-6.62,;19.31,-7.35,)| Show InChI InChI=1S/C32H38N2O2/c1-32(14-8-7-11-22-9-3-2-4-10-22,20-27-21-33-29-13-6-5-12-28(27)29)34-31(35)36-30-25-16-23-15-24(18-25)19-26(30)17-23/h2-6,8-10,12-14,21,23-26,30,33H,7,11,15-20H2,1H3,(H,34,35)/b14-8+/t23-,24+,25-,26+,30?,32?	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Neuroscience Research Center Curated by ChEMBL					Assay Description Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in the rat pancreas				J Med Chem 35: 1472-84 (1992) BindingDB Entry DOI: 10.7270/Q2H41S3W
					More data for this Ligand-Target Pair