Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase A' and Ligand = 'BDBM50198907'   

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))	BDBM50198907 (CHEMBL3974549) Show SMILES Cl.C[C@]1(COCCCCOC[C@H](NC(=O)[C@@H]2CCCN2C(=O)CNC1=O)C(O)=O)NCC1CCCCCCC1 |r| Show InChI InChI=1S/C27H46N4O7.ClH/c1-27(29-16-20-10-5-3-2-4-6-11-20)19-38-15-8-7-14-37-18-21(25(34)35)30-24(33)22-12-9-13-31(22)23(32)17-28-26(27)36;/h20-22,29H,2-19H2,1H3,(H,28,36)(H,30,33)(H,34,35);1H/t21-,22-,27+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of fluorescent cyclosporin A binding to human CypA by TR-FRET assay				Bioorg Med Chem Lett 26: 5304-5307 (2016) Article DOI: 10.1016/j.bmcl.2016.09.039 BindingDB Entry DOI: 10.7270/Q2TX3HCN
					More data for this Ligand-Target Pair