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 = 'BDBM50227027'   

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)	BDBM50227027 (CHEMBL315358) Show SMILES CNc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(NC)=Nc2ccccc12 |c:26,t:9| Show InChI InChI=1S/C26H25N5/c1-27-21-12-6-4-10-19(21)25-20-11-5-8-14-23(20)31-26(28-2)24(30-25)15-17-16-29-22-13-7-3-9-18(17)22/h3-14,16,24,27,29H,15H2,1-2H3,(H,28,31)/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+5	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))	BDBM50227027 (CHEMBL315358) Show SMILES CNc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(NC)=Nc2ccccc12 |c:26,t:9| Show InChI InChI=1S/C26H25N5/c1-27-21-12-6-4-10-19(21)25-20-11-5-8-14-23(20)31-26(28-2)24(30-25)15-17-16-29-22-13-7-3-9-18(17)22/h3-14,16,24,27,29H,15H2,1-2H3,(H,28,31)/t24-/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	1.00E+5	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