Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM32686'   

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))	BDBM32686 (4-(2-Morpholin-4-yl-2-oxo-ethoxy)-N-p-tolyl-benzen...) Show SMILES Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 Show InChI InChI=1S/C19H22N2O5S/c1-15-2-4-16(5-3-15)20-27(23,24)18-8-6-17(7-9-18)26-14-19(22)21-10-12-25-13-11-21/h2-9,20H,10-14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+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