Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM50113133'   

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))	BDBM50113133 (1-(4-Ethyl-benzenesulfonyl)-piperidine-2-carboxyli...) Show SMILES CCc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)NCCCc1ccccc1 Show InChI InChI=1S/C23H30N2O3S/c1-2-19-13-15-21(16-14-19)29(27,28)25-18-7-6-12-22(25)23(26)24-17-8-11-20-9-4-3-5-10-20/h3-5,9-10,13-16,22H,2,6-8,11-12,17-18H2,1H3,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	640	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