Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50043548'   

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))	BDBM50043548 (1-(4-Chloro-phenyl)-3-{1-[2-(4-methyl-piperazin-1-...) Show SMILES CN1CCN(CC1)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1 |c:19| Show InChI InChI=1S/C29H29ClN6O3/c1-34-15-17-35(18-16-34)25(37)19-36-24-10-6-5-9-23(24)26(20-7-3-2-4-8-20)32-27(28(36)38)33-29(39)31-22-13-11-21(30)12-14-22/h2-14,27H,15-19H2,1H3,(H2,31,33,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor				J Med Chem 36: 4276-92 (1994) BindingDB Entry DOI: 10.7270/Q22J6CH9
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50043548 (1-(4-Chloro-phenyl)-3-{1-[2-(4-methyl-piperazin-1-...) Show SMILES CN1CCN(CC1)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1 |c:19| Show InChI InChI=1S/C29H29ClN6O3/c1-34-15-17-35(18-16-34)25(37)19-36-24-10-6-5-9-23(24)26(20-7-3-2-4-8-20)32-27(28(36)38)33-29(39)31-22-13-11-21(30)12-14-22/h2-14,27H,15-19H2,1H3,(H2,31,33,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit the binding of [125I]-gastrin to gastric glands in guinea pig.				Bioorg Med Chem Lett 3: 871-874 (1993) Article DOI: 10.1016/S0960-894X(00)80683-6 BindingDB Entry DOI: 10.7270/Q2513Z41
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50043548 (1-(4-Chloro-phenyl)-3-{1-[2-(4-methyl-piperazin-1-...) Show SMILES CN1CCN(CC1)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1 |c:19| Show InChI InChI=1S/C29H29ClN6O3/c1-34-15-17-35(18-16-34)25(37)19-36-24-10-6-5-9-23(24)26(20-7-3-2-4-8-20)32-27(28(36)38)33-29(39)31-22-13-11-21(30)12-14-22/h2-14,27H,15-19H2,1H3,(H2,31,33,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit the binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig cortex.				Bioorg Med Chem Lett 3: 871-874 (1993) Article DOI: 10.1016/S0960-894X(00)80683-6 BindingDB Entry DOI: 10.7270/Q2513Z41
					More data for this Ligand-Target Pair