Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50092412'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50092412 (3-(2-{[2-Acetylamino-3-(1H-indol-3-yl)-propionyl]-...) Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C33H42N6O7/c1-4-5-15-28(39(3)33(46)27(36-20(2)40)17-22-19-35-24-14-10-9-13-23(22)24)32(45)38-26(18-29(41)42)31(44)37-25(30(34)43)16-21-11-7-6-8-12-21/h6-14,19,25-28,35H,4-5,15-18H2,1-3H3,(H2,34,43)(H,36,40)(H,37,44)(H,38,45)(H,41,42)/t25-,26-,27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	228	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity against cholecystokinin type B receptor on guinea pig cortex.				J Med Chem 43: 3614-23 (2000) BindingDB Entry DOI: 10.7270/Q2RN373C
					More data for this Ligand-Target Pair