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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50153509'   
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


(RAT)
BDBM50153509
PNG
(CHEMBL181601 | [(4aR,5S)-1-(4-Fluoro-phenyl)-4a-me...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2C(O)c1ccccc1)-c1ccc(F)cc1 |c:9|
Show InChI InChI=1S/C25H25FN2O/c1-25-15-18-16-27-28(21-12-10-20(26)11-13-21)23(18)14-19(25)8-5-9-22(25)24(29)17-6-3-2-4-7-17/h2-4,6-7,10-14,16,22,24,29H,5,8-9,15H2,1H3/t22-,24?,25+/m1/s1
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PC sid
UniChem

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Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a



University of California--San Francisco

Curated by ChEMBL


Assay Description
Inhibition against U2OS cells expressing rat Glucocorticoid receptor


Bioorg Med Chem Lett 14: 5199-203 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.052
BindingDB Entry DOI: 10.7270/Q2G73D65
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50153509
PNG
(CHEMBL181601 | [(4aR,5S)-1-(4-Fluoro-phenyl)-4a-me...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2C(O)c1ccccc1)-c1ccc(F)cc1 |c:9|
Show InChI InChI=1S/C25H25FN2O/c1-25-15-18-16-27-28(21-12-10-20(26)11-13-21)23(18)14-19(25)8-5-9-22(25)24(29)17-6-3-2-4-7-17/h2-4,6-7,10-14,16,22,24,29H,5,8-9,15H2,1H3/t22-,24?,25+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 3n/an/an/an/a



University of California--San Francisco

Curated by ChEMBL


Assay Description
Repression of AP1-luciferase reporter activity in TPA-stimulated U2OS cells expressing rat glucocorticoid receptor


Bioorg Med Chem Lett 14: 5199-203 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.052
BindingDB Entry DOI: 10.7270/Q2G73D65
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50153509
PNG
(CHEMBL181601 | [(4aR,5S)-1-(4-Fluoro-phenyl)-4a-me...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2C(O)c1ccccc1)-c1ccc(F)cc1 |c:9|
Show InChI InChI=1S/C25H25FN2O/c1-25-15-18-16-27-28(21-12-10-20(26)11-13-21)23(18)14-19(25)8-5-9-22(25)24(29)17-6-3-2-4-7-17/h2-4,6-7,10-14,16,22,24,29H,5,8-9,15H2,1H3/t22-,24?,25+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3n/an/an/an/a



University of California--San Francisco

Curated by ChEMBL


Assay Description
Effective concentration against MMTV in transactivation assay in U2OS cells expressing rat GR


Bioorg Med Chem Lett 14: 5199-203 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.052
BindingDB Entry DOI: 10.7270/Q2G73D65
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50153509
PNG
(CHEMBL181601 | [(4aR,5S)-1-(4-Fluoro-phenyl)-4a-me...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2C(O)c1ccccc1)-c1ccc(F)cc1 |c:9|
Show InChI InChI=1S/C25H25FN2O/c1-25-15-18-16-27-28(21-12-10-20(26)11-13-21)23(18)14-19(25)8-5-9-22(25)24(29)17-6-3-2-4-7-17/h2-4,6-7,10-14,16,22,24,29H,5,8-9,15H2,1H3/t22-,24?,25+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4n/an/an/an/a



University of California--San Francisco

Curated by ChEMBL


Assay Description
Repression of NFkB-luciferase reporter activity in TPA stimulated U2OS cells expressing rat glucocorticoid receptor


Bioorg Med Chem Lett 14: 5199-203 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.052
BindingDB Entry DOI: 10.7270/Q2G73D65
More data for this
Ligand-Target Pair