Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM50113066'   

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))	BDBM50113066 (1-Benzenesulfonyl-piperidine-2-carboxylic acid 3-(...) Show SMILES Brc1ccc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C21H24BrNO4S/c22-18-13-11-17(12-14-18)7-6-16-27-21(24)20-10-4-5-15-23(20)28(25,26)19-8-2-1-3-9-19/h1-3,8-9,11-14,20H,4-7,10,15-16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.00E+3	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