Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50002898'   

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))	BDBM50002898 (CHEMBL388068) Show SMILES CC1CCCC1C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCCC1 |c:18| Show InChI InChI=1S/C31H36N4O5/c1-20-9-7-15-24(20)27(36)18-34-26-16-6-5-14-25(26)29(21-10-3-2-4-11-21)33-35(31(34)40)19-28(37)32-23-13-8-12-22(17-23)30(38)39/h5-6,8,12-14,16-17,20-21,24H,2-4,7,9-11,15,18-19H2,1H3,(H,32,37)(H,38,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 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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