BDBM50092154 3-[2-(2-Adamantan-2-yl-acetylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-4-phenyl-butyric acid(PD 140458)::CHEMBL420320::PD-140458

SMILES: C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)CC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(O)=O)Cc1ccccc1

InChI Key: InChIKey=QCZHEUFYXFXANT-HHHZSKEXSA-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 = 50092154   

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)	BDBM50092154 (3-[2-(2-Adamantan-2-yl-acetylamino)-3-(1H-indol-3-...) Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)CC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(O)=O)Cc1ccccc1 |wU:1.0,wD:1.13,29.33,TLB:15:16:23:19.25.20,18:19:17.16.22:23,THB:18:17:23:19.25.20,20:19:16:21.22.23,20:21:16:19.18.25,(8.71,-2.48,;8.72,-4.02,;8.72,-5.57,;7.62,-6.66,;8.65,-7.83,;7.85,-9.15,;6.36,-8.79,;5.1,-9.68,;3.71,-9.02,;3.58,-7.48,;4.84,-6.61,;6.22,-7.26,;7.39,-3.25,;6.06,-4.02,;6.06,-5.57,;4.72,-3.25,;3.39,-4.02,;1.99,-3.44,;.64,-3.93,;.64,-5.42,;-.55,-6.69,;.94,-6.27,;.94,-4.68,;2.36,-6.83,;3.37,-5.56,;1.97,-5.91,;10.05,-3.25,;10.05,-1.71,;11.4,-4.02,;12.73,-3.25,;14.06,-4.02,;14.06,-5.57,;15.4,-6.34,;12.73,-6.34,;12.73,-1.71,;14.06,-.94,;15.4,-1.71,;16.73,-.94,;16.73,.6,;15.39,1.37,;14.06,.58,)| Show InChI InChI=1S/C34H41N3O4/c1-34(19-26-20-35-30-10-6-5-9-28(26)30,33(41)36-27(17-32(39)40)16-21-7-3-2-4-8-21)37-31(38)18-29-24-12-22-11-23(14-24)15-25(29)13-22/h2-10,20,22-25,27,29,35H,11-19H2,1H3,(H,36,41)(H,37,38)(H,39,40)/t22?,23?,24?,25?,27-,29?,34+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	259	n/a	n/a	n/a	n/a	n/a	n/a
James Black Foundation Curated by ChEMBL					Assay Description Half maximal inhibition of specific binding of [125I]Bolton-Hunter CCK-8 to Cholecystokinin type B receptor in the mouse cerebral cortex				J Med Chem 43: 3505-17 (2000) BindingDB Entry DOI: 10.7270/Q2FQ9XBZ
					More data for this Ligand-Target Pair
Cholecystokinin receptor (RAT)	BDBM50092154 (3-[2-(2-Adamantan-2-yl-acetylamino)-3-(1H-indol-3-...) Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)CC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(O)=O)Cc1ccccc1 |wU:1.0,wD:1.13,29.33,TLB:15:16:23:19.25.20,18:19:17.16.22:23,THB:18:17:23:19.25.20,20:19:16:21.22.23,20:21:16:19.18.25,(8.71,-2.48,;8.72,-4.02,;8.72,-5.57,;7.62,-6.66,;8.65,-7.83,;7.85,-9.15,;6.36,-8.79,;5.1,-9.68,;3.71,-9.02,;3.58,-7.48,;4.84,-6.61,;6.22,-7.26,;7.39,-3.25,;6.06,-4.02,;6.06,-5.57,;4.72,-3.25,;3.39,-4.02,;1.99,-3.44,;.64,-3.93,;.64,-5.42,;-.55,-6.69,;.94,-6.27,;.94,-4.68,;2.36,-6.83,;3.37,-5.56,;1.97,-5.91,;10.05,-3.25,;10.05,-1.71,;11.4,-4.02,;12.73,-3.25,;14.06,-4.02,;14.06,-5.57,;15.4,-6.34,;12.73,-6.34,;12.73,-1.71,;14.06,-.94,;15.4,-1.71,;16.73,-.94,;16.73,.6,;15.39,1.37,;14.06,.58,)| Show InChI InChI=1S/C34H41N3O4/c1-34(19-26-20-35-30-10-6-5-9-28(26)30,33(41)36-27(17-32(39)40)16-21-7-3-2-4-8-21)37-31(38)18-29-24-12-22-11-23(14-24)15-25(29)13-22/h2-10,20,22-25,27,29,35H,11-19H2,1H3,(H,36,41)(H,37,38)(H,39,40)/t22?,23?,24?,25?,27-,29?,34+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
James Black Foundation Curated by ChEMBL					Assay Description Half maximal inhibition of specific binding of [125I]-Bolton-Hunter CCK-8 to Cholecystokinin type A receptor in the rat pancreas				J Med Chem 43: 3505-17 (2000) BindingDB Entry DOI: 10.7270/Q2FQ9XBZ
					More data for this Ligand-Target Pair