Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM33822'   

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 FKBP1A (Homo sapiens (Human))	BDBM33822 (2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl...) Show SMILES OC(=O)c1ccccc1SCC(=O)N1CCOCC1 Show InChI InChI=1S/C13H15NO4S/c15-12(14-5-7-18-8-6-14)9-19-11-4-2-1-3-10(11)13(16)17/h1-4H,5-9H2,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>3.70E+6	n/a	n/a	n/a	n/a	n/a
and University of California at San Diego Curated by ChEMBL					Assay Description Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry				J Med Chem 50: 6607-17 (2007) Article DOI: 10.1021/jm0707424 BindingDB Entry DOI: 10.7270/Q2TT4QPH
					More data for this Ligand-Target Pair