Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50048777'   

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))	BDBM50048777 ((S)-2-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...) Show SMILES OC(=O)[C@H](CCC(=O)Nc1cccc2ccccc12)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 Show InChI InChI=1S/C36H40Cl2N4O6/c37-25-20-24(21-26(38)22-25)33(45)41-29(34(46)42-18-16-36(17-19-42)14-3-4-15-36)10-12-32(44)40-30(35(47)48)11-13-31(43)39-28-9-5-7-23-6-1-2-8-27(23)28/h1-2,5-9,20-22,29-30H,3-4,10-19H2,(H,39,43)(H,40,44)(H,41,45)(H,47,48)/t29?,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Rotta Research Laboratorium Curated by ChEMBL					Assay Description In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells				J Med Chem 39: 135-42 (1996) Article DOI: 10.1021/jm950372w BindingDB Entry DOI: 10.7270/Q2BZ66P3
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50048777 ((S)-2-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...) Show SMILES OC(=O)[C@H](CCC(=O)Nc1cccc2ccccc12)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 Show InChI InChI=1S/C36H40Cl2N4O6/c37-25-20-24(21-26(38)22-25)33(45)41-29(34(46)42-18-16-36(17-19-42)14-3-4-15-36)10-12-32(44)40-30(35(47)48)11-13-31(43)39-28-9-5-7-23-6-1-2-8-27(23)28/h1-2,5-9,20-22,29-30H,3-4,10-19H2,(H,39,43)(H,40,44)(H,41,45)(H,47,48)/t29?,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Rotta Research Laboratorium Curated by ChEMBL					Assay Description Inhibition of binding of [3H]N-Me-N-Leu-CCK-8 to cholecystokinin type B receptor in guinea pig brain cortex				J Med Chem 39: 135-42 (1996) Article DOI: 10.1021/jm950372w BindingDB Entry DOI: 10.7270/Q2BZ66P3
					More data for this Ligand-Target Pair