BDBM50005826 CHEMBL286843::[2-(1H-Indol-3-yl)-1-methyl-1-(2-phenethyl-4,5-dihydro-thiazol-5-yl)-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)C1SC(CCc2ccccc2)C=N1

InChI Key: InChIKey=COBAVOQKOJMCCB-YCHNYHORSA-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 = 50005826   

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)	BDBM50005826 (CHEMBL286843 | [2-(1H-Indol-3-yl)-1-methyl-1-(2-ph...) Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C1SC(CCc2ccccc2)C=N1 |wU:19.27,wD:21.23,17.19,23.26,c:43,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:18:16.23.24,20:19:16:21.25.22,(.45,-8.95,;.06,-7.45,;-1.19,-6.55,;-1.03,-5.01,;-2.18,-4.02,;-1.57,-2.61,;-.03,-2.73,;1.09,-1.71,;2.56,-2.16,;2.88,-3.7,;1.74,-4.72,;.29,-4.24,;-.73,-8.79,;-2.26,-8.76,;-3.01,-7.41,;-3.04,-10.07,;-4.58,-10.04,;-5.96,-9.46,;-7.31,-9.95,;-7.31,-11.42,;-8.49,-12.7,;-7.01,-12.28,;-5.61,-12.83,;-4.58,-11.58,;-5.99,-11.9,;-7.02,-10.68,;1.54,-7.86,;2.72,-6.87,;4.01,-7.7,;5.54,-7.61,;6.41,-8.89,;7.77,-8.15,;7.82,-6.64,;9.18,-5.91,;10.49,-6.74,;10.42,-8.28,;9.07,-8.98,;3.62,-9.21,;2.08,-9.27,)| Show InChI InChI=1S/C33H39N3O2S/c1-33(18-26-19-34-29-10-6-5-9-28(26)29,31-35-20-27(39-31)12-11-21-7-3-2-4-8-21)36-32(37)38-30-24-14-22-13-23(16-24)17-25(30)15-22/h2-10,19-20,22-25,27,30-31,34H,11-18H2,1H3,(H,36,37)/t22-,23+,24-,25+,27?,30?,31?,33?	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	827	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)	BDBM50005826 (CHEMBL286843 | [2-(1H-Indol-3-yl)-1-methyl-1-(2-ph...) Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C1SC(CCc2ccccc2)C=N1 |wU:19.27,wD:21.23,17.19,23.26,c:43,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:18:16.23.24,20:19:16:21.25.22,(.45,-8.95,;.06,-7.45,;-1.19,-6.55,;-1.03,-5.01,;-2.18,-4.02,;-1.57,-2.61,;-.03,-2.73,;1.09,-1.71,;2.56,-2.16,;2.88,-3.7,;1.74,-4.72,;.29,-4.24,;-.73,-8.79,;-2.26,-8.76,;-3.01,-7.41,;-3.04,-10.07,;-4.58,-10.04,;-5.96,-9.46,;-7.31,-9.95,;-7.31,-11.42,;-8.49,-12.7,;-7.01,-12.28,;-5.61,-12.83,;-4.58,-11.58,;-5.99,-11.9,;-7.02,-10.68,;1.54,-7.86,;2.72,-6.87,;4.01,-7.7,;5.54,-7.61,;6.41,-8.89,;7.77,-8.15,;7.82,-6.64,;9.18,-5.91,;10.49,-6.74,;10.42,-8.28,;9.07,-8.98,;3.62,-9.21,;2.08,-9.27,)| Show InChI InChI=1S/C33H39N3O2S/c1-33(18-26-19-34-29-10-6-5-9-28(26)29,31-35-20-27(39-31)12-11-21-7-3-2-4-8-21)36-32(37)38-30-24-14-22-13-23(16-24)17-25(30)15-22/h2-10,19-20,22-25,27,30-31,34H,11-18H2,1H3,(H,36,37)/t22-,23+,24-,25+,27?,30?,31?,33?	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	801	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