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 = 'BDBM50225851'   

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 (Homo sapiens (Human))	BDBM50225851 (CHEMBL301427) Show SMILES [H][C@]12N([C@@H](CC(C)C)C(=O)N1c1ccccc1[C@@]2(O)C[C@@H]1NC(=O)c2ccccc2-n2c1nc1ccccc1c2=O)C(=O)CCC(O)=O Show InChI InChI=1S/C35H33N5O7/c1-19(2)17-27-33(46)40-26-14-8-5-11-22(26)35(47,34(40)38(27)28(41)15-16-29(42)43)18-24-30-36-23-12-6-3-9-20(23)32(45)39(30)25-13-7-4-10-21(25)31(44)37-24/h3-14,19,24,27,34,47H,15-18H2,1-2H3,(H,37,44)(H,42,43)/t24-,27-,34-,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	8.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of [125I]-CCK binding to Cholecystokinin receptor in guinea pig cortical membranes				J Med Chem 29: 1941-5 (1986) BindingDB Entry DOI: 10.7270/Q28C9ZFQ
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor (RAT)	BDBM50225851 (CHEMBL301427) Show SMILES [H][C@]12N([C@@H](CC(C)C)C(=O)N1c1ccccc1[C@@]2(O)C[C@@H]1NC(=O)c2ccccc2-n2c1nc1ccccc1c2=O)C(=O)CCC(O)=O Show InChI InChI=1S/C35H33N5O7/c1-19(2)17-27-33(46)40-26-14-8-5-11-22(26)35(47,34(40)38(27)28(41)15-16-29(42)43)18-24-30-36-23-12-6-3-9-20(23)32(45)39(30)25-13-7-4-10-21(25)31(44)37-24/h3-14,19,24,27,34,47H,15-18H2,1-2H3,(H,37,44)(H,42,43)/t24-,27-,34-,35-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]CCK binding to rat pancreatic Cholecystokinin receptor				J Med Chem 29: 1941-5 (1986) BindingDB Entry DOI: 10.7270/Q28C9ZFQ
					More data for this Ligand-Target Pair