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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50355743'   
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))
BDBM50355743
PNG
(CHEMBL1911153)
Show SMILES CC(C)([C@@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(O)cc1)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C24H20N4O3S/c1-24(2,22(30)27-23-28-25-13-32-23)20-16-5-3-4-6-19(16)31-21-17(20)11-12-18(26-21)14-7-9-15(29)10-8-14/h3-13,20,29H,1-2H3,(H,27,28,30)/t20-/m1/s1
PDB

KEGG

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PC sid
UniChem

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Article
PubMed
5.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355743
PNG
(CHEMBL1911153)
Show SMILES CC(C)([C@@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(O)cc1)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C24H20N4O3S/c1-24(2,22(30)27-23-28-25-13-32-23)20-16-5-3-4-6-19(16)31-21-17(20)11-12-18(26-21)14-7-9-15(29)10-8-14/h3-13,20,29H,1-2H3,(H,27,28,30)/t20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 108n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor alpha in IL-1beta-stimulated human A549 cells assessed as inhibition of NFkappaB-dependent E-sele...


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355743
PNG
(CHEMBL1911153)
Show SMILES CC(C)([C@@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(O)cc1)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C24H20N4O3S/c1-24(2,22(30)27-23-28-25-13-32-23)20-16-5-3-4-6-19(16)31-21-17(20)11-12-18(26-21)14-7-9-15(29)10-8-14/h3-13,20,29H,1-2H3,(H,27,28,30)/t20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

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Article
PubMed
n/an/an/an/a 90.8n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor alpha in phorbol myristate acetate-stimulated human A549 cells assessed as inhibition of AP1 resp...


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355743
PNG
(CHEMBL1911153)
Show SMILES CC(C)([C@@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(O)cc1)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C24H20N4O3S/c1-24(2,22(30)27-23-28-25-13-32-23)20-16-5-3-4-6-19(16)31-21-17(20)11-12-18(26-21)14-7-9-15(29)10-8-14/h3-13,20,29H,1-2H3,(H,27,28,30)/t20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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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
Transactivation activity at GR-alpha in human NP1 Hela cells assessed as induction of GAL4-DBD after 20 hrs by luciferase reporter gene assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355743
PNG
(CHEMBL1911153)
Show SMILES CC(C)([C@@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(O)cc1)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C24H20N4O3S/c1-24(2,22(30)27-23-28-25-13-32-23)20-16-5-3-4-6-19(16)31-21-17(20)11-12-18(26-21)14-7-9-15(29)10-8-14/h3-13,20,29H,1-2H3,(H,27,28,30)/t20-/m1/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 201n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity at GR-alpha in human NP1 Hela cells assessed as inhibition of GAL4-DBD after 20 hrs by luciferase reporter gene assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair