Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM50228110'   

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))	BDBM50228110 (3-((4,5-dihydroisoxazol-3-yl)methylthio)-5-methyl-...) Show SMILES Cc1nnc(SCC2=NOCC2)n1-c1ccccc1 |t:7| Show InChI InChI=1S/C13H14N4OS/c1-10-14-15-13(19-9-11-7-8-18-16-11)17(10)12-5-3-2-4-6-12/h2-6H,7-9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.90E+4	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