Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor type A' and Ligand = 'BDBM50045808'   

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 (Cavia porcellus)	BDBM50045808 (CHEMBL432389 | [1-[2-(4-Bromo-phenyl)-ethylcarbamo...) Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccc(Br)cc1 |wU:21.23,19.27,17.19,wD:23.26,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:16.23.24:18,(13,-12.04,;11.67,-12.82,;10.34,-13.59,;10.34,-15.14,;11.25,-16.38,;10.36,-17.64,;8.89,-17.17,;7.54,-17.94,;6.21,-17.17,;6.21,-15.62,;7.54,-14.85,;8.87,-15.62,;10.17,-12.42,;8.83,-11.65,;7.73,-12.72,;8.43,-10.16,;6.95,-9.76,;5.2,-9.76,;4.14,-10.8,;2.85,-10.16,;2.31,-8.75,;3.41,-7.7,;5.05,-7.54,;5.62,-8.96,;4.46,-10.06,;4.64,-8.47,;13,-13.59,;13,-15.12,;14.54,-13.58,;15.31,-12.25,;16.85,-12.25,;17.62,-10.9,;16.83,-9.59,;17.6,-8.26,;19.14,-8.24,;19.91,-6.91,;19.93,-9.59,;19.16,-10.92,)| Show InChI InChI=1S/C31H36BrN3O3/c1-31(17-24-18-34-27-5-3-2-4-26(24)27,29(36)33-11-10-19-6-8-25(32)9-7-19)35-30(37)38-28-22-13-20-12-21(15-22)16-23(28)14-20/h2-9,18,20-23,28,34H,10-17H2,1H3,(H,33,36)(H,35,37)/t20-,21+,22-,23+,28?,31?	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type A receptor in guinea pig pancreatic membranes				J Med Chem 36: 2868-77 (1993) BindingDB Entry DOI: 10.7270/Q2MG7NK5
					More data for this Ligand-Target Pair