Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50004485'   

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))	BDBM50004485 (CCK7 analogue | CHEMBL98631) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCNC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C44H55N7O12S/c1-27(2)22-35(42(57)51-37(25-40(54)55)44(59)49-34(41(45)56)23-29-10-4-3-5-11-29)50-43(58)36(24-30-26-47-33-13-7-6-12-32(30)33)48-39(53)14-8-9-21-46-38(52)20-17-28-15-18-31(19-16-28)63-64(60,61)62/h3-7,10-13,15-16,18-19,26-27,34-37,47H,8-9,14,17,20-25H2,1-2H3,(H2,45,56)(H,46,52)(H,48,53)(H,49,59)(H,50,58)(H,51,57)(H,54,55)(H,60,61,62)/t34-,35-,36-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Evaluated in vitro for its binding affinity towards cholecystokinin type B receptor of guinea pig cortex				J Med Chem 35: 2919-28 (1992) BindingDB Entry DOI: 10.7270/Q2W66JRH
					More data for this Ligand-Target Pair