Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM50335218'   

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))	BDBM50335218 (CHEMBL1650802 | ethyl 1-(3-methyl-2-oxopentanoyl)p...) Show SMILES CCOC(=O)C1CCCCN1C(=O)C(=O)C(C)CC Show InChI InChI=1S/C14H23NO4/c1-4-10(3)12(16)13(17)15-9-7-6-8-11(15)14(18)19-5-2/h10-11H,4-9H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Wu£rzburg Curated by ChEMBL					Assay Description Inhibition of PPIase activity of human FKBP12 expressed in Escherichia coli by spectrophotometry				J Med Chem 54: 277-83 (2011) Article DOI: 10.1021/jm101156y BindingDB Entry DOI: 10.7270/Q2GF0VG2
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