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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP5' and Ligand = 'BDBM50162701'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		BDBM50162701
PNG
(CHEMBL3794209)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CCCC1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C31H46N4O7/c1-40-23-17-21(18-24(41-2)27(23)42-3)26(20-11-5-4-6-12-20)29(38)35-16-10-7-13-22(35)28(37)34-31(14-8-9-15-31)30(39)33-19-25(32)36/h17-18,20,22,26H,4-16,19H2,1-3H3,(H2,32,36)(H,33,39)(H,34,37)/t22-,26-/m0/s1
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Similars
Article
PubMed
 800n/an/an/an/an/an/an/an/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