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 = 'BDBM50227029'   

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)	BDBM50227029 (CHEMBL315184) Show SMILES OC(=O)CNC1=Nc2ccccc2C(=N[C@@H]1Cc1c[nH]c2ccccc12)c1ccccc1F |c:14,t:5| Show InChI InChI=1S/C26H21FN4O2/c27-20-10-4-1-8-18(20)25-19-9-3-6-12-22(19)31-26(29-15-24(32)33)23(30-25)13-16-14-28-21-11-5-2-7-17(16)21/h1-12,14,23,28H,13,15H2,(H,29,31)(H,32,33)/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.60E+3	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))	BDBM50227029 (CHEMBL315184) Show SMILES OC(=O)CNC1=Nc2ccccc2C(=N[C@@H]1Cc1c[nH]c2ccccc12)c1ccccc1F |c:14,t:5| Show InChI InChI=1S/C26H21FN4O2/c27-20-10-4-1-8-18(20)25-19-9-3-6-12-22(19)31-26(29-15-24(32)33)23(30-25)13-16-14-28-21-11-5-2-7-17(16)21/h1-12,14,23,28H,13,15H2,(H,29,31)(H,32,33)/t23-/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	7.00E+3	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