Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM50113092'   

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))	BDBM50113092 (1-Benzenesulfonyl-piperidine-2-carboxylic acid 3-(...) Show SMILES COc1ccc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1OC Show InChI InChI=1S/C23H29NO6S/c1-28-21-14-13-18(17-22(21)29-2)9-8-16-30-23(25)20-12-6-7-15-24(20)31(26,27)19-10-4-3-5-11-19/h3-5,10-11,13-14,17,20H,6-9,12,15-16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12				Bioorg Med Chem Lett 12: 1421-8 (2002) BindingDB Entry DOI: 10.7270/Q279441H
					More data for this Ligand-Target Pair