BDBM50230677 CHEMBL3351022

SMILES: C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)\C=C\C(O)=O)c1ccccc1

InChI Key: InChIKey=REMAMJQTIPBFTH-MYJPUEAFSA-N

Data: 1 KI

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 1 hit for monomerid = 50230677   

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)	BDBM50230677 (CHEMBL3351022) Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)\C=C\C(O)=O)c1ccccc1 |wD:1.1,30.43,1.0,TLB:18:19:16.17.22:23,15:16:23:19.25.20,THB:20:21:16:19.18.25,20:19:16:21.22.23,18:17:23:19.25.20,(13.63,-4.94,;12.13,-5.3,;10.64,-5.67,;9.57,-4.55,;9.85,-3.04,;8.49,-2.31,;7.38,-3.37,;5.84,-3.25,;4.98,-4.53,;5.64,-5.91,;7.18,-6.03,;8.05,-4.76,;11.77,-3.81,;12.88,-2.74,;14.36,-3.18,;12.52,-1.25,;13.63,-.18,;14.47,1.29,;14.47,2.69,;15.85,3.38,;17.22,2.69,;17.22,1.29,;15.85,.59,;16.38,-.18,;15.01,.51,;15.01,1.91,;12.5,-6.8,;13.97,-7.23,;11.38,-7.86,;11.75,-9.36,;10.63,-10.42,;10.99,-11.92,;9.88,-12.98,;8.4,-12.55,;10.24,-14.48,;9.13,-15.54,;9.49,-17.04,;10.97,-17.47,;8.38,-18.1,;9.15,-9.99,;8.04,-11.05,;6.56,-10.62,;6.2,-9.12,;7.31,-8.06,;8.79,-8.49,)| Show InChI InChI=1S/C35H40N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-12,19,21-22,24-25,29,32,36H,13-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/b12-11+/t21?,22?,24?,25?,29-,32?,35+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.513	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Neuroscience Research Centre Curated by ChEMBL					Assay Description Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse				J Med Chem 35: 1572-7 (1992) BindingDB Entry DOI: 10.7270/Q26H4KM8
					More data for this Ligand-Target Pair