Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50007996'   

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))	BDBM50007996 (3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...) Show SMILES CC(C)c1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C45H58N8O9/c1-27(2)30-17-9-12-20-33(30)52-43(60)47-22-14-13-21-34(40(57)51-37(25-38(54)55)42(59)50-35(39(46)56)23-28-15-7-6-8-16-28)49-41(58)36(53-44(61)62-45(3,4)5)24-29-26-48-32-19-11-10-18-31(29)32/h6-12,15-20,26-27,34-37,48H,13-14,21-25H2,1-5H3,(H2,46,56)(H,49,58)(H,50,59)(H,51,57)(H,53,61)(H,54,55)(H2,47,52,60)/t34-,35?,36?,37?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity for Cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand				J Med Chem 34: 2837-42 (1991) BindingDB Entry DOI: 10.7270/Q2JD4VRF
					More data for this Ligand-Target Pair