Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM50113116'   

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))	BDBM50113116 (1-Benzenesulfonyl-pyrrolidine-2-carboxylic acid (3...) Show SMILES O=C(NCCCc1ccccc1)C1CCCN1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H24N2O3S/c23-20(21-15-7-11-17-9-3-1-4-10-17)19-14-8-16-22(19)26(24,25)18-12-5-2-6-13-18/h1-6,9-10,12-13,19H,7-8,11,14-16H2,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.50E+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 Ability to inhibit peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12				Bioorg Med Chem Lett 12: 1429-33 (2002) BindingDB Entry DOI: 10.7270/Q23J3C9S
					More data for this Ligand-Target Pair