Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50471067'   

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 (MOUSE)	BDBM50471067 (CHEMBL298521) Show SMILES OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3ccsc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |TLB:36:37:41:35.34.40,THB:36:35:41:37.42.38,38:37:34:39.41.40,38:39:34:37.42.36| Show InChI InChI=1S/C38H37N3O7S/c42-33(39-20-38-17-22-8-23(18-38)10-24(9-22)19-38)30-16-32-25(6-7-49-32)15-29(30)34(43)41-31(11-21-4-2-1-3-5-21)35(44)40-28-13-26(36(45)46)12-27(14-28)37(47)48/h1-7,12-16,22-24,31H,8-11,17-20H2,(H,39,42)(H,40,44)(H,41,43)(H,45,46)(H,47,48)/t22?,23?,24?,31-,38?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
James Black Foundation Curated by ChEMBL					Assay Description In vitro inhibitory activity against Cholecystokinin type B receptor using [125I]BH-CCK-8S as radioligand in mouse cortical membranes				J Med Chem 39: 1806-15 (1996) Article DOI: 10.1021/jm9508907 BindingDB Entry DOI: 10.7270/Q2571FR6
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