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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 = 'BDBM50125327'   
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))		BDBM50125327
PNG
(CHEMBL3623617)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](C)C2CCCCC2)c2cccc(OCC(O)=O)c2)cc1OC |r|
Show InChI InChI=1S/C34H45NO8/c1-23(25-10-5-4-6-11-25)33(38)35-19-8-7-14-28(35)34(39)43-29(26-12-9-13-27(21-26)42-22-32(36)37)17-15-24-16-18-30(40-2)31(20-24)41-3/h9,12-13,16,18,20-21,23,25,28-29H,4-8,10-11,14-15,17,19,22H2,1-3H3,(H,36,37)/t23-,28+,29-/m1/s1
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KEGG

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.20E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay

J Med Chem 58: 7796-806 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00785
BindingDB Entry DOI: 10.7270/Q25Q4XWR
More data for this
Ligand-Target Pair