Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP5' and Ligand = 'BDBM50162679'   

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))	BDBM50162679 (CHEMBL3794273) Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](CCC(N)=O)C(N)=O |r| Show InChI InChI=1S/C28H42N4O7/c1-37-21-15-18(16-22(38-2)25(21)39-3)24(17-9-5-4-6-10-17)28(36)32-14-8-7-11-20(32)27(35)31-19(26(30)34)12-13-23(29)33/h15-17,19-20,24H,4-14H2,1-3H3,(H2,29,33)(H2,30,34)(H,31,35)/t19-,20+,24+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40E+3	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