Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM50335219'   

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))	BDBM50335219 (CHEMBL1650803 | Ethyl 1-(Benzylsulfonyl)piperidine...) Show SMILES CCOC(=O)C1CCCCN1S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C15H21NO4S/c1-2-20-15(17)14-10-6-7-11-16(14)21(18,19)12-13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	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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