Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase A' and Ligand = 'BDBM50087874'   

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))	BDBM50087874 (1-(2-{2-[2-(2-Acetylamino-3-methyl-butyrylamino)-3...) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(N)=O Show InChI InChI=1S/C31H50N10O8/c1-15(2)24(38-19(7)42)31(49)39-21(11-20-12-33-14-35-20)28(46)37-18(6)27(45)34-13-23(43)41-10-8-9-22(41)29(47)40-25(16(3)4)30(48)36-17(5)26(32)44/h12,14-18,21-22,24-25H,8-11,13H2,1-7H3,(H2,32,44)(H,33,35)(H,34,45)(H,36,48)(H,37,46)(H,38,42)(H,39,49)(H,40,47)/t17-,18+,21+,22+,24+,25+/m1/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	1.50E+6	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