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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 = 'BDBM50162677'   
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))
BDBM50162677
PNG
(CHEMBL3793595)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](CCO)C(N)=O |r|
Show InChI InChI=1S/C27H41N3O7/c1-35-21-15-18(16-22(36-2)24(21)37-3)23(17-9-5-4-6-10-17)27(34)30-13-8-7-11-20(30)26(33)29-19(12-14-31)25(28)32/h15-17,19-20,23,31H,4-14H2,1-3H3,(H2,28,32)(H,29,33)/t19-,20+,23+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.20E+3n/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