Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor type A' and Ligand = 'BDBM50263063'   

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
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50263063 ((1-(3-ethoxyphenyl)-2-(3-fluorophenyl)-1H-imidazol...) Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1cccc(F)c1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C32H29FN4O2/c1-2-39-29-12-6-11-28(21-29)37-22-30(34-31(37)25-9-5-10-26(33)19-25)32(38)36-17-15-35(16-18-36)27-14-13-23-7-3-4-8-24(23)20-27/h3-14,19-22H,2,15-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CCK1 receptor				Bioorg Med Chem Lett 18: 4393-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.057 BindingDB Entry DOI: 10.7270/Q2HH6JW0
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50263063 ((1-(3-ethoxyphenyl)-2-(3-fluorophenyl)-1H-imidazol...) Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1cccc(F)c1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C32H29FN4O2/c1-2-39-29-12-6-11-28(21-29)37-22-30(34-31(37)25-9-5-10-26(33)19-25)32(38)36-17-15-35(16-18-36)27-14-13-23-7-3-4-8-24(23)20-27/h3-14,19-22H,2,15-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	105	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity against human CCK1 receptor				Bioorg Med Chem Lett 18: 4393-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.057 BindingDB Entry DOI: 10.7270/Q2HH6JW0
					More data for this Ligand-Target Pair