BDBM50230683 CHEMBL3351024

SMILES: C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)\C=C\C(O)=O)Cc1ccccc1

InChI Key: InChIKey=SBBCWLUBBJWDTN-PKIUTDBJSA-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 = 50230683   

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)	BDBM50230683 (CHEMBL3351024) Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)\C=C\C(O)=O)Cc1ccccc1 |wU:29.43,wD:1.1,1.0,TLB:22:17:25:21.23.20,22:21:16.17.18:25,THB:15:16:25:21.23.20,20:21:16:19.18.25,20:19:16:21.23.22,(12.45,-4.16,;10.95,-4.52,;9.45,-4.88,;8.39,-3.77,;8.67,-2.25,;7.31,-1.52,;6.2,-2.59,;4.66,-2.47,;3.79,-3.74,;4.46,-5.13,;6,-5.25,;6.86,-3.97,;10.59,-3.02,;11.7,-1.96,;13.18,-2.39,;11.34,-.46,;12.45,.6,;13.29,2.07,;14.66,1.38,;16.04,2.07,;16.04,3.47,;14.66,4.17,;13.29,3.47,;13.82,2.69,;13.82,1.3,;15.2,.6,;11.31,-6.02,;12.79,-6.45,;10.2,-7.08,;10.56,-8.58,;9.45,-9.64,;9.81,-11.14,;8.7,-12.2,;7.22,-11.76,;9.06,-13.69,;7.95,-14.76,;8.31,-16.25,;9.79,-16.69,;7.2,-17.32,;12.04,-9.01,;12.4,-10.51,;13.88,-10.94,;14.25,-12.44,;13.13,-13.5,;11.65,-13.06,;11.29,-11.57,)| Show InChI InChI=1S/C36H42N4O6/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,40-35(45)46-33-25-14-23-13-24(16-25)17-26(33)15-23)34(44)39-28(18-22-7-3-2-4-8-22)21-38-31(41)11-12-32(42)43/h2-12,20,23-26,28,33,37H,13-19,21H2,1H3,(H,38,41)(H,39,44)(H,40,45)(H,42,43)/b12-11+/t23?,24?,25?,26?,28-,33?,36+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.708	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