Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor type A' and Ligand = 'BDBM50005819'   

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 (RAT)	BDBM50005819 (2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-y...) Show SMILES OCC(Cc1ccccc1)OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:33.41,35.39,29.32,wD:31.33,TLB:27:28:34:31.36.32,THB:30:29:34:31.36.32,30:31:34:28.29.37,32:31:28:33.34.37,(18.97,-6.87,;17.43,-6.97,;16.76,-8.35,;17.62,-9.64,;19.16,-9.51,;20.02,-10.79,;21.54,-10.68,;22.21,-9.28,;21.35,-8.02,;19.81,-8.13,;15.22,-8.47,;14.35,-7.2,;15.03,-5.82,;12.84,-7.31,;11.59,-6.42,;11.75,-4.88,;10.6,-3.86,;11.21,-2.45,;12.75,-2.6,;13.87,-1.55,;15.35,-2.02,;15.67,-3.54,;14.53,-4.57,;13.07,-4.11,;12.06,-8.63,;10.52,-8.61,;9.76,-7.26,;9.73,-9.92,;8.19,-9.89,;8.19,-11.43,;7.17,-12.7,;5.77,-12.14,;4.28,-12.55,;5.46,-11.27,;5.46,-9.8,;6.81,-9.31,;5.75,-10.55,;6.78,-11.77,)| Show InChI InChI=1S/C31H36N2O5/c34-18-25(15-19-6-2-1-3-7-19)37-30(35)28(16-24-17-32-27-9-5-4-8-26(24)27)33-31(36)38-29-22-11-20-10-21(13-22)14-23(29)12-20/h1-9,17,20-23,25,28-29,32,34H,10-16,18H2,(H,33,36)/t20-,21+,22-,23+,25?,28?,29?	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Neuroscience Research Center Curated by ChEMBL					Assay Description Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in the rat pancreas				J Med Chem 35: 1472-84 (1992) BindingDB Entry DOI: 10.7270/Q2H41S3W
					More data for this Ligand-Target Pair