Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50227021'   

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/Gastrin/cholecystokinin type B receptor (RAT)	BDBM50227021 (CHEMBL329552) Show SMILES CCOC(=O)CNC1=Nc2ccccc2C(=N[C@@H]1Cc1c[nH]c2ccccc12)c1ccccc1F |c:16,t:7| Show InChI InChI=1S/C28H25FN4O2/c1-2-35-26(34)17-31-28-25(15-18-16-30-23-13-7-4-9-19(18)23)32-27(20-10-3-6-12-22(20)29)21-11-5-8-14-24(21)33-28/h3-14,16,25,30H,2,15,17H2,1H3,(H,31,33)/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards cholecystokinin receptor by the displacement of [125I]CCK-33 in rat pancreatic tissue				J Med Chem 31: 264-8 (1988) BindingDB Entry DOI: 10.7270/Q24B33HD
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50227021 (CHEMBL329552) Show SMILES CCOC(=O)CNC1=Nc2ccccc2C(=N[C@@H]1Cc1c[nH]c2ccccc12)c1ccccc1F |c:16,t:7| Show InChI InChI=1S/C28H25FN4O2/c1-2-35-26(34)17-31-28-25(15-18-16-30-23-13-7-4-9-19(18)23)32-27(20-10-3-6-12-22(20)29)21-11-5-8-14-24(21)33-28/h3-14,16,25,30H,2,15,17H2,1H3,(H,31,33)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards cholecystokinin receptor by displacement of [125I]CCK-33 from guinea pig brain tissue				J Med Chem 31: 264-8 (1988) BindingDB Entry DOI: 10.7270/Q24B33HD
					More data for this Ligand-Target Pair