Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM50113145'   

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))	BDBM50113145 (1-(4-Ethyl-benzenesulfonyl)-piperidine-2-carboxyli...) Show SMILES CCc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)NCCc1ccccc1 Show InChI InChI=1S/C22H28N2O3S/c1-2-18-11-13-20(14-12-18)28(26,27)24-17-7-6-10-21(24)22(25)23-16-15-19-8-4-3-5-9-19/h3-5,8-9,11-14,21H,2,6-7,10,15-17H2,1H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+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