Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50048748'   

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))	BDBM50048748 ((S)-4-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...) Show SMILES CN(C(=O)[C@H](CCC(O)=O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)c1cccc2ccccc12 Show InChI InChI=1S/C37H42Cl2N4O6/c1-42(31-10-6-8-24-7-2-3-9-28(24)31)35(48)29(12-14-33(45)46)40-32(44)13-11-30(41-34(47)25-21-26(38)23-27(39)22-25)36(49)43-19-17-37(18-20-43)15-4-5-16-37/h2-3,6-10,21-23,29-30H,4-5,11-20H2,1H3,(H,40,44)(H,41,47)(H,45,46)/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	13	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))	BDBM50048748 ((S)-4-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...) Show SMILES CN(C(=O)[C@H](CCC(O)=O)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)c1cccc2ccccc12 Show InChI InChI=1S/C37H42Cl2N4O6/c1-42(31-10-6-8-24-7-2-3-9-28(24)31)35(48)29(12-14-33(45)46)40-32(44)13-11-30(41-34(47)25-21-26(38)23-27(39)22-25)36(49)43-19-17-37(18-20-43)15-4-5-16-37/h2-3,6-10,21-23,29-30H,4-5,11-20H2,1H3,(H,40,44)(H,41,47)(H,45,46)/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	62	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