Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50035826'   

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))	BDBM50035826 ((S)-3-((S)-2-{[(S)-2-Acetylamino-3-(1H-indol-3-yl)...) Show SMILES C[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/C30H36N6O7/c1-17(36(3)30(43)25(33-18(2)37)14-20-16-32-22-12-8-7-11-21(20)22)28(41)35-24(15-26(38)39)29(42)34-23(27(31)40)13-19-9-5-4-6-10-19/h4-12,16-17,23-25,32H,13-15H2,1-3H3,(H2,31,40)(H,33,37)(H,34,42)(H,35,41)(H,38,39)/t17-,23-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Binding affinity towards Cholecystokinin type B receptor by displacement of [125I]-BH-CCK-8 from human jurkat cells				J Med Chem 38: 137-49 (1995) BindingDB Entry DOI: 10.7270/Q2QN65TS
					More data for this Ligand-Target Pair