Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM50113108'   

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))	BDBM50113108 (1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic ac...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)NCCc1ccccc1 Show InChI InChI=1S/C20H24N2O3S/c1-16-9-11-18(12-10-16)26(24,25)22-15-5-8-19(22)20(23)21-14-13-17-6-3-2-4-7-17/h2-4,6-7,9-12,19H,5,8,13-15H2,1H3,(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	3.30E+4	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