Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50002892'   

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))	BDBM50002892 (CHEMBL1161950) Show SMILES OC(=O)C(F)(F)F.CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc3n(CC(O)=O)ncc23)C1=O)C1CCCCC1 |c:21| Show InChI InChI=1S/C31H36N6O5.C2HF3O2/c1-31(2,3)26(38)17-35-24-14-8-7-12-21(24)29(20-10-5-4-6-11-20)34-37(30(35)42)18-27(39)33-23-13-9-15-25-22(23)16-32-36(25)19-28(40)41;3-2(4,5)1(6)7/h7-9,12-16,20H,4-6,10-11,17-19H2,1-3H3,(H,33,39)(H,40,41);(H,6,7)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
James Black Foundation Curated by ChEMBL					Assay Description Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells				J Med Chem 50: 3101-12 (2007) Checked by Author Article DOI: 10.1021/jm070139l BindingDB Entry DOI: 10.7270/Q2QJ7JHN
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