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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50416869'   
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))
BDBM50416869
PNG
(CHEMBL1257572)
Show SMILES Cc1ccc2c(NCC(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cccc2n1
Show InChI InChI=1S/C23H24F4N2O2/c1-14-7-9-16-18(5-4-6-19(16)29-14)28-13-22(31,23(25,26)27)12-21(2,3)17-11-15(24)8-10-20(17)30/h4-11,28,30-31H,12-13H2,1-3H3
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Article
PubMed
n/an/a 3.16n/an/an/an/an/an/a



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor-mediated antiinflammatory activity in human HeLa cells assessed as inhibition of TPA-induced coll...


Bioorg Med Chem Lett 20: 5835-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.125
BindingDB Entry DOI: 10.7270/Q26974V3
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50416869
PNG
(CHEMBL1257572)
Show SMILES Cc1ccc2c(NCC(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cccc2n1
Show InChI InChI=1S/C23H24F4N2O2/c1-14-7-9-16-18(5-4-6-19(16)29-14)28-13-22(31,23(25,26)27)12-21(2,3)17-11-15(24)8-10-20(17)30/h4-11,28,30-31H,12-13H2,1-3H3
PDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human THP1 cells assessed as receptor-mediated anti-inflammatory activity by measuring inhibit...


Bioorg Med Chem Lett 27: 437-442 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50416869
PNG
(CHEMBL1257572)
Show SMILES Cc1ccc2c(NCC(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cccc2n1
Show InChI InChI=1S/C23H24F4N2O2/c1-14-7-9-16-18(5-4-6-19(16)29-14)28-13-22(31,23(25,26)27)12-21(2,3)17-11-15(24)8-10-20(17)30/h4-11,28,30-31H,12-13H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptorin human HeLa cells assessed as inhibition of TPA-induced collagenase promoter activity by lucifer...


Bioorg Med Chem Lett 27: 437-442 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50416869
PNG
(CHEMBL1257572)
Show SMILES Cc1ccc2c(NCC(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cccc2n1
Show InChI InChI=1S/C23H24F4N2O2/c1-14-7-9-16-18(5-4-6-19(16)29-14)28-13-22(31,23(25,26)27)12-21(2,3)17-11-15(24)8-10-20(17)30/h4-11,28,30-31H,12-13H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

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Article
PubMed
n/an/a 5.01n/an/an/an/an/an/a



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor-mediated antiinflammatory activity in human THP1 cells assessed as inhibition of LPS-induced IL-8...


Bioorg Med Chem Lett 20: 5835-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.125
BindingDB Entry DOI: 10.7270/Q26974V3
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50416869
PNG
(CHEMBL1257572)
Show SMILES Cc1ccc2c(NCC(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cccc2n1
Show InChI InChI=1S/C23H24F4N2O2/c1-14-7-9-16-18(5-4-6-19(16)29-14)28-13-22(31,23(25,26)27)12-21(2,3)17-11-15(24)8-10-20(17)30/h4-11,28,30-31H,12-13H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.01n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in human HeLa cells assessed as induction of MMTV promoter activity by luciferase reporter gene a...


Bioorg Med Chem Lett 27: 437-442 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50416869
PNG
(CHEMBL1257572)
Show SMILES Cc1ccc2c(NCC(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cccc2n1
Show InChI InChI=1S/C23H24F4N2O2/c1-14-7-9-16-18(5-4-6-19(16)29-14)28-13-22(31,23(25,26)27)12-21(2,3)17-11-15(24)8-10-20(17)30/h4-11,28,30-31H,12-13H2,1-3H3
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



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human glucocorticoid receptor expressed in baculovirus infected sf9 cells


Bioorg Med Chem Lett 27: 437-442 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50416869
PNG
(CHEMBL1257572)
Show SMILES Cc1ccc2c(NCC(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cccc2n1
Show InChI InChI=1S/C23H24F4N2O2/c1-14-7-9-16-18(5-4-6-19(16)29-14)28-13-22(31,23(25,26)27)12-21(2,3)17-11-15(24)8-10-20(17)30/h4-11,28,30-31H,12-13H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 6.31n/an/an/an/an/an/a



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5835-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.125
BindingDB Entry DOI: 10.7270/Q26974V3
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50416869
PNG
(CHEMBL1257572)
Show SMILES Cc1ccc2c(NCC(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cccc2n1
Show InChI InChI=1S/C23H24F4N2O2/c1-14-7-9-16-18(5-4-6-19(16)29-14)28-13-22(31,23(25,26)27)12-21(2,3)17-11-15(24)8-10-20(17)30/h4-11,28,30-31H,12-13H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 12.6n/an/an/an/a



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in human HeLa cells assessed as induction of MMTV promoter activity by luciferase reporter gene a...


Bioorg Med Chem Lett 20: 5835-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.125
BindingDB Entry DOI: 10.7270/Q26974V3
More data for this
Ligand-Target Pair