Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP5' and Ligand = 'BDBM50162684'   

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))	BDBM50162684 (CHEMBL3793603) Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CCCC1)C(N)=O |r| Show InChI InChI=1S/C29H43N3O6/c1-36-22-17-20(18-23(37-2)25(22)38-3)24(19-11-5-4-6-12-19)27(34)32-16-10-7-13-21(32)26(33)31-29(28(30)35)14-8-9-15-29/h17-19,21,24H,4-16H2,1-3H3,(H2,30,35)(H,31,33)/t21-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...				J Med Chem 59: 2410-22 (2016) Article DOI: 10.1021/acs.jmedchem.5b01355 BindingDB Entry DOI: 10.7270/Q2BZ67Z3
					More data for this Ligand-Target Pair				3D Structure (crystal)