Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase A' and Ligand = 'BDBM50369805'   

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
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50369805 (CHEMBL1793899) Show SMILES CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(C)(C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC1(CCCC1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C35H50N8O6/c1-23(2)17-28(44)40-26(18-25-20-36-22-39-25)30(46)41-34(3,4)32(48)38-21-29(45)43-16-10-13-27(43)31(47)42-35(14-8-9-15-35)33(49)37-19-24-11-6-5-7-12-24/h5-7,11-12,20,22-23,26-27H,8-10,13-19,21H2,1-4H3,(H,36,39)(H,37,49)(H,38,48)(H,40,44)(H,41,46)(H,42,47)/t26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
D�partement D'Ing�nierie et D'Etudes des Prot�ines Curated by ChEMBL					Assay Description 50% inhibitory concentration of competitive binding against human Peptidyl-prolyl isomerase activity using uncoupled assay				J Med Chem 43: 1770-9 (2000) BindingDB Entry DOI: 10.7270/Q2SQ9135
					More data for this Ligand-Target Pair