BDBM50005828 2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-thiopropionic acid S-phenethyl ester::CHEMBL288038

SMILES: CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)SCCc1ccccc1

InChI Key: InChIKey=JIEASLDXCYOWHI-QYEPPTMMSA-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 = 50005828   

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)	BDBM50005828 (2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-y...) Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)SCCc1ccccc1 |wU:19.20,17.29,wD:21.28,23.26,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:16.17.25:22,(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,;7.07,-9.28,;5.72,-9.76,;5.74,-11.24,;4.53,-12.51,;6.04,-12.09,;7.44,-12.65,;8.47,-11.39,;7.06,-11.72,;6.03,-10.5,;14.63,-7.15,;15.3,-5.77,;15.49,-8.41,;17.01,-8.32,;17.88,-9.59,;19.26,-8.86,;19.31,-7.35,;20.67,-6.62,;21.98,-7.45,;21.92,-8.99,;20.54,-9.7,)| Show InChI InChI=1S/C31H36N2O3S/c1-31(18-25-19-32-27-10-6-5-9-26(25)27,29(34)37-12-11-20-7-3-2-4-8-20)33-30(35)36-28-23-14-21-13-22(16-23)17-24(28)15-21/h2-10,19,21-24,28,32H,11-18H2,1H3,(H,33,35)/t21-,22+,23-,24+,28?,31?	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.19E+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)	BDBM50005828 (2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-y...) Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)SCCc1ccccc1 |wU:19.20,17.29,wD:21.28,23.26,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:16.17.25:22,(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,;7.07,-9.28,;5.72,-9.76,;5.74,-11.24,;4.53,-12.51,;6.04,-12.09,;7.44,-12.65,;8.47,-11.39,;7.06,-11.72,;6.03,-10.5,;14.63,-7.15,;15.3,-5.77,;15.49,-8.41,;17.01,-8.32,;17.88,-9.59,;19.26,-8.86,;19.31,-7.35,;20.67,-6.62,;21.98,-7.45,;21.92,-8.99,;20.54,-9.7,)| Show InChI InChI=1S/C31H36N2O3S/c1-31(18-25-19-32-27-10-6-5-9-26(25)27,29(34)37-12-11-20-7-3-2-4-8-20)33-30(35)36-28-23-14-21-13-22(16-23)17-24(28)15-21/h2-10,19,21-24,28,32H,11-18H2,1H3,(H,33,35)/t21-,22+,23-,24+,28?,31?	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	932	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