BDBM50061992 1-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-cyclohexanecarboxylic acid methyl ester::CHEMBL344220

SMILES: COC(=O)C1(CCCCC1)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3

InChI Key: InChIKey=QPMVKCGOVAJPQD-NLEJNHMSSA-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 = 50061992   

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)	BDBM50061992 (1-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-in...) Show SMILES COC(=O)C1(CCCCC1)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 |wU:13.27,wD:13.14,TLB:35:30:38:34.36.33,35:34:29.30.31:38,THB:33:32:29:34.35.36,33:34:29:32.31.38,28:29:38:34.36.33,(7.67,-10.77,;7.65,-9.57,;6.15,-9.17,;5.05,-10.27,;5.75,-7.69,;5.75,-6.14,;7.09,-5.38,;8.44,-6.15,;8.42,-7.7,;7.09,-8.45,;4.41,-8.45,;3.16,-7.72,;3.15,-6.34,;1.88,-8.4,;1.86,-7.03,;1.95,-9.95,;3.34,-10.65,;2.09,-11.56,;2.56,-13.04,;4.11,-13.03,;5.13,-14.18,;6.64,-13.86,;7.11,-12.38,;6.08,-11.25,;4.58,-11.56,;.49,-7.88,;-.8,-8.74,;-.77,-10.2,;-2.2,-8.05,;-3.48,-8.91,;-4.88,-8.33,;-5.92,-9.56,;-5.92,-11.16,;-7.42,-11.58,;-6.23,-10.3,;-6.23,-8.81,;-4.89,-10.79,;-3.48,-10.44,;-4.52,-11.73,)| Show InChI InChI=1S/C31H41N3O5/c1-30(17-23-18-32-25-9-5-4-8-24(23)25,27(35)33-31(28(36)38-2)10-6-3-7-11-31)34-29(37)39-26-21-13-19-12-20(15-21)16-22(26)14-19/h4-5,8-9,18-22,26,32H,3,6-7,10-17H2,1-2H3,(H,33,35)(H,34,37)/t19?,20?,21?,22?,26?,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	191	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex				J Med Chem 41: 38-45 (1998) Article DOI: 10.1021/jm970065l BindingDB Entry DOI: 10.7270/Q2GT5NV6
					More data for this Ligand-Target Pair
Cholecystokinin receptor (RAT)	BDBM50061992 (1-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-in...) Show SMILES COC(=O)C1(CCCCC1)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 |wU:13.27,wD:13.14,TLB:35:30:38:34.36.33,35:34:29.30.31:38,THB:33:32:29:34.35.36,33:34:29:32.31.38,28:29:38:34.36.33,(7.67,-10.77,;7.65,-9.57,;6.15,-9.17,;5.05,-10.27,;5.75,-7.69,;5.75,-6.14,;7.09,-5.38,;8.44,-6.15,;8.42,-7.7,;7.09,-8.45,;4.41,-8.45,;3.16,-7.72,;3.15,-6.34,;1.88,-8.4,;1.86,-7.03,;1.95,-9.95,;3.34,-10.65,;2.09,-11.56,;2.56,-13.04,;4.11,-13.03,;5.13,-14.18,;6.64,-13.86,;7.11,-12.38,;6.08,-11.25,;4.58,-11.56,;.49,-7.88,;-.8,-8.74,;-.77,-10.2,;-2.2,-8.05,;-3.48,-8.91,;-4.88,-8.33,;-5.92,-9.56,;-5.92,-11.16,;-7.42,-11.58,;-6.23,-10.3,;-6.23,-8.81,;-4.89,-10.79,;-3.48,-10.44,;-4.52,-11.73,)| Show InChI InChI=1S/C31H41N3O5/c1-30(17-23-18-32-25-9-5-4-8-24(23)25,27(35)33-31(28(36)38-2)10-6-3-7-11-31)34-29(37)39-26-21-13-19-12-20(15-21)16-22(26)14-19/h4-5,8-9,18-22,26,32H,3,6-7,10-17H2,1-2H3,(H,33,35)(H,34,37)/t19?,20?,21?,22?,26?,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas				J Med Chem 41: 38-45 (1998) Article DOI: 10.1021/jm970065l BindingDB Entry DOI: 10.7270/Q2GT5NV6
					More data for this Ligand-Target Pair