Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50056453'   

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))	BDBM50056453 (3-(2-{[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl...) Show SMILES CCCCC(N(C)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O Show InChI InChI=1S/C36H48N6O8/c1-6-7-17-29(33(47)40-27(20-30(43)44)32(46)39-26(31(37)45)18-22-13-9-8-10-14-22)42(5)34(48)28(41-35(49)50-36(2,3)4)19-23-21-38-25-16-12-11-15-24(23)25/h8-16,21,26-29,38H,6-7,17-20H2,1-5H3,(H2,37,45)(H,39,46)(H,40,47)(H,41,49)(H,43,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of [3H]pCCK-8 binding to Guinea pig cortex membrane Cholecystokinin type B receptor				J Med Chem 40: 647-58 (1997) Article DOI: 10.1021/jm9603072 BindingDB Entry DOI: 10.7270/Q2PG1SDX
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (RAT)	BDBM50056453 (3-(2-{[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl...) Show SMILES CCCCC(N(C)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O Show InChI InChI=1S/C36H48N6O8/c1-6-7-17-29(33(47)40-27(20-30(43)44)32(46)39-26(31(37)45)18-22-13-9-8-10-14-22)42(5)34(48)28(41-35(49)50-36(2,3)4)19-23-21-38-25-16-12-11-15-24(23)25/h8-16,21,26-29,38H,6-7,17-20H2,1-5H3,(H2,37,45)(H,39,46)(H,40,47)(H,41,49)(H,43,44)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Affinity to inhibit [3H]pCCK-8 specific binding on rat brain Cholecystokinin type B receptor expressed in CHO cells				J Med Chem 40: 647-58 (1997) Article DOI: 10.1021/jm9603072 BindingDB Entry DOI: 10.7270/Q2PG1SDX
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (RAT)	BDBM50056453 (3-(2-{[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl...) Show SMILES CCCCC(N(C)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O Show InChI InChI=1S/C36H48N6O8/c1-6-7-17-29(33(47)40-27(20-30(43)44)32(46)39-26(31(37)45)18-22-13-9-8-10-14-22)42(5)34(48)28(41-35(49)50-36(2,3)4)19-23-21-38-25-16-12-11-15-24(23)25/h8-16,21,26-29,38H,6-7,17-20H2,1-5H3,(H2,37,45)(H,39,46)(H,40,47)(H,41,49)(H,43,44)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.5	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Effective concentration for the stimulation of Inositol Phosphate accumulation in CHO cells expressing wild-type Cholecystokinin type B receptor				J Med Chem 40: 647-58 (1997) Article DOI: 10.1021/jm9603072 BindingDB Entry DOI: 10.7270/Q2PG1SDX
					More data for this Ligand-Target Pair