BDBM50007448 CHEMBL131754::N-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-3-phenyl-propyl}-malonamic acid

SMILES: C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)CC(O)=O)Cc1ccccc1

InChI Key: InChIKey=IJHVGBPKVAYMAD-OJBBTHRJSA-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 = 50007448   

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 (RAT)	BDBM50007448 (CHEMBL131754 | N-{2-[2-(Adamantan-2-yloxycarbonyla...) Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)CC(O)=O)Cc1ccccc1 |wU:19.27,17.29,29.33,1.0,wD:1.13,21.23,23.26,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:16.23.24:18,(17.95,-9.98,;17.85,-8.45,;17.85,-6.93,;18.94,-5.85,;18.03,-4.6,;18.94,-3.35,;20.41,-3.83,;21.73,-3.06,;23.07,-3.83,;23.07,-5.37,;21.73,-6.14,;20.41,-5.37,;16.53,-9.25,;15.19,-8.48,;15.18,-6.94,;13.86,-9.27,;12.32,-9.25,;11.34,-8.1,;9.92,-7.9,;9.25,-9.22,;7.6,-9.82,;9.12,-10.12,;10.12,-11.27,;11.61,-10.6,;10.2,-10.28,;9.85,-8.71,;19.2,-9.22,;20.51,-8.44,;19.2,-10.76,;20.54,-11.52,;20.57,-13.06,;19.23,-13.84,;19.25,-15.38,;20.58,-16.14,;17.91,-16.15,;16.59,-15.41,;15.25,-16.18,;16.57,-13.87,;21.88,-10.73,;23.21,-11.5,;23.21,-13.04,;24.55,-13.8,;25.87,-13,;25.87,-11.46,;24.52,-10.72,)| Show InChI InChI=1S/C35H42N4O6/c1-35(18-26-19-36-29-10-6-5-9-28(26)29,39-34(44)45-32-24-12-22-11-23(14-24)15-25(32)13-22)33(43)38-27(16-21-7-3-2-4-8-21)20-37-30(40)17-31(41)42/h2-10,19,22-25,27,32,36H,11-18,20H2,1H3,(H,37,40)(H,38,43)(H,39,44)(H,41,42)/t22-,23+,24-,25+,27-,32?,35+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Research Unit Curated by ChEMBL					Assay Description Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas cholecystokinin type A receptor				J Med Chem 34: 404-14 (1991) BindingDB Entry DOI: 10.7270/Q2RJ4K3V
					More data for this Ligand-Target Pair
Cholecystokinin receptor (MOUSE)	BDBM50007448 (CHEMBL131754 | N-{2-[2-(Adamantan-2-yloxycarbonyla...) Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)CC(O)=O)Cc1ccccc1 |wU:19.27,17.29,29.33,1.0,wD:1.13,21.23,23.26,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:16.23.24:18,(17.95,-9.98,;17.85,-8.45,;17.85,-6.93,;18.94,-5.85,;18.03,-4.6,;18.94,-3.35,;20.41,-3.83,;21.73,-3.06,;23.07,-3.83,;23.07,-5.37,;21.73,-6.14,;20.41,-5.37,;16.53,-9.25,;15.19,-8.48,;15.18,-6.94,;13.86,-9.27,;12.32,-9.25,;11.34,-8.1,;9.92,-7.9,;9.25,-9.22,;7.6,-9.82,;9.12,-10.12,;10.12,-11.27,;11.61,-10.6,;10.2,-10.28,;9.85,-8.71,;19.2,-9.22,;20.51,-8.44,;19.2,-10.76,;20.54,-11.52,;20.57,-13.06,;19.23,-13.84,;19.25,-15.38,;20.58,-16.14,;17.91,-16.15,;16.59,-15.41,;15.25,-16.18,;16.57,-13.87,;21.88,-10.73,;23.21,-11.5,;23.21,-13.04,;24.55,-13.8,;25.87,-13,;25.87,-11.46,;24.52,-10.72,)| Show InChI InChI=1S/C35H42N4O6/c1-35(18-26-19-36-29-10-6-5-9-28(26)29,39-34(44)45-32-24-12-22-11-23(14-24)15-25(32)13-22)33(43)38-27(16-21-7-3-2-4-8-21)20-37-30(40)17-31(41)42/h2-10,19,22-25,27,32,36H,11-18,20H2,1H3,(H,37,40)(H,38,43)(H,39,44)(H,41,42)/t22-,23+,24-,25+,27-,32?,35+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Research Unit Curated by ChEMBL					Assay Description Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex cholecystokinin type B receptor				J Med Chem 34: 404-14 (1991) BindingDB Entry DOI: 10.7270/Q2RJ4K3V
					More data for this Ligand-Target Pair