Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP5' and Ligand = 'BDBM50432745'   

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 FKBP5 (Homo sapiens (Human))	BDBM50432745 (CHEMBL2348591) Show SMILES COc1ccc(OCCN2CCC3CCCC(N3S(=O)(=O)c3ccc4ncsc4c3)C2=O)cc1OC |TLB:31:30:17:13.14.15,8:9:17:13.14.15| Show InChI InChI=1S/C25H29N3O6S2/c1-32-22-9-6-18(14-23(22)33-2)34-13-12-27-11-10-17-4-3-5-21(25(27)29)28(17)36(30,31)19-7-8-20-24(15-19)35-16-26-20/h6-9,14-17,21H,3-5,10-13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to human FKBP51 by competitive fluorescence polarization assay				J Med Chem 56: 3922-35 (2013) Article DOI: 10.1021/jm400087k BindingDB Entry DOI: 10.7270/Q2QZ2CC1
					More data for this Ligand-Target Pair				3D Structure (crystal)