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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50009583'   
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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50009583
PNG
(CHEMBL3234858)
Show SMILES COc1cc(OC)cc(c1)-c1nnc(o1)[C@@]1(Cc2ccccc2)OC(=O)N([C@H](C)c2ccccc2)C1=O |r|
Show InChI InChI=1S/C28H25N3O6/c1-18(20-12-8-5-9-13-20)31-26(32)28(37-27(31)33,17-19-10-6-4-7-11-19)25-30-29-24(36-25)21-14-22(34-2)16-23(15-21)35-3/h4-16,18H,17H2,1-3H3/t18-,28-/m1/s1
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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid receptor (unknown origin)


Bioorg Med Chem Lett 24: 1681-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.057
BindingDB Entry DOI: 10.7270/Q2N87C9H
More data for this
Ligand-Target Pair