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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50276438'   
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))
BDBM50276438
PNG
((2R,4aR,10aR)-4a-Ethyl-7-(2-methylpyridin-3-ylmeth...)
Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)C#CC |r|
Show InChI InChI=1S/C26H31NO2/c1-4-12-25(28)13-14-26(5-2)22(17-25)9-8-20-16-23(10-11-24(20)26)29-18-21-7-6-15-27-19(21)3/h6-7,10-11,15-16,22,28H,5,8-9,13-14,17-18H2,1-3H3/t22-,25-,26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276438
PNG
((2R,4aR,10aR)-4a-Ethyl-7-(2-methylpyridin-3-ylmeth...)
Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)C#CC |r|
Show InChI InChI=1S/C26H31NO2/c1-4-12-25(28)13-14-26(5-2)22(17-25)9-8-20-16-23(10-11-24(20)26)29-18-21-7-6-15-27-19(21)3/h6-7,10-11,15-16,22,28H,5,8-9,13-14,17-18H2,1-3H3/t22-,25-,26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 6.30n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Transrepression activity at GR in human SW1353 cells assessed as inhibition of IL1-stimulated MMP13 production after 24 hrs by whole cell ELISA


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair