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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50348409'   
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))
BDBM50348409
PNG
(CHEMBL1801003)
Show SMILES CC(=O)c1cc(ccc1O)[C@H](c1ccccc1)C(C)(C)C(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C22H22N2O3S/c1-14(25)17-13-16(9-10-18(17)26)19(15-7-5-4-6-8-15)22(2,3)20(27)24-21-23-11-12-28-21/h4-13,19,26H,1-3H3,(H,23,24,27)/t19-/m0/s1
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Article
PubMed
7.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from GRapha by fluorescence polarization assay


J Med Chem 53: 8241-51 (2010)


Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50348409
PNG
(CHEMBL1801003)
Show SMILES CC(=O)c1cc(ccc1O)[C@H](c1ccccc1)C(C)(C)C(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C22H22N2O3S/c1-14(25)17-13-16(9-10-18(17)26)19(15-7-5-4-6-8-15)22(2,3)20(27)24-21-23-11-12-28-21/h4-13,19,26H,1-3H3,(H,23,24,27)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transrepression activity of glucocorticoid receptor in human A549 cells assessed as inhibition of IL1beta-stimulated NFkappaB-dependent E-selectin tr...


J Med Chem 53: 8241-51 (2010)


Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50348409
PNG
(CHEMBL1801003)
Show SMILES CC(=O)c1cc(ccc1O)[C@H](c1ccccc1)C(C)(C)C(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C22H22N2O3S/c1-14(25)17-13-16(9-10-18(17)26)19(15-7-5-4-6-8-15)22(2,3)20(27)24-21-23-11-12-28-21/h4-13,19,26H,1-3H3,(H,23,24,27)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

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Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transrepression activity of glucocorticoid receptor in human A549 cells expressing AP-1 assessed as inhibition of PMA-induced AP-1 activity by lucife...


J Med Chem 53: 8241-51 (2010)


Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50348409
PNG
(CHEMBL1801003)
Show SMILES CC(=O)c1cc(ccc1O)[C@H](c1ccccc1)C(C)(C)C(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C22H22N2O3S/c1-14(25)17-13-16(9-10-18(17)26)19(15-7-5-4-6-8-15)22(2,3)20(27)24-21-23-11-12-28-21/h4-13,19,26H,1-3H3,(H,23,24,27)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity of glucocorticoid receptor ligand binding domain expressed in human NP-1 Hela cells co-expressing GAL4 DNA binding domain by...


J Med Chem 53: 8241-51 (2010)


Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50348409
PNG
(CHEMBL1801003)
Show SMILES CC(=O)c1cc(ccc1O)[C@H](c1ccccc1)C(C)(C)C(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C22H22N2O3S/c1-14(25)17-13-16(9-10-18(17)26)19(15-7-5-4-6-8-15)22(2,3)20(27)24-21-23-11-12-28-21/h4-13,19,26H,1-3H3,(H,23,24,27)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 2.33E+3n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in human 13D3/Huh7 cells assessed as induction of tyrosine aminotransferase activity after 24 hrs


J Med Chem 53: 8241-51 (2010)


Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW
More data for this
Ligand-Target Pair