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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50355736'   
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))
BDBM50355736
PNG
(CHEMBL1911147)
Show SMILES Cc1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C25H22N4O2S/c1-15-8-10-16(11-9-15)19-13-12-18-21(17-6-4-5-7-20(17)31-22(18)27-19)25(2,3)23(30)28-24-29-26-14-32-24/h4-14,21H,1-3H3,(H,28,29,30)/t21-/m0/s1
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Article
PubMed
2.5n/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))
BDBM50355736
PNG
(CHEMBL1911147)
Show SMILES Cc1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C25H22N4O2S/c1-15-8-10-16(11-9-15)19-13-12-18-21(17-6-4-5-7-20(17)31-22(18)27-19)25(2,3)23(30)28-24-29-26-14-32-24/h4-14,21H,1-3H3,(H,28,29,30)/t21-/m0/s1
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Article
PubMed
n/an/an/an/a 26.6n/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))
BDBM50355736
PNG
(CHEMBL1911147)
Show SMILES Cc1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C25H22N4O2S/c1-15-8-10-16(11-9-15)19-13-12-18-21(17-6-4-5-7-20(17)31-22(18)27-19)25(2,3)23(30)28-24-29-26-14-32-24/h4-14,21H,1-3H3,(H,28,29,30)/t21-/m0/s1
PDB

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Article
PubMed
n/an/an/an/a 260n/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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355736
PNG
(CHEMBL1911147)
Show SMILES Cc1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C25H22N4O2S/c1-15-8-10-16(11-9-15)19-13-12-18-21(17-6-4-5-7-20(17)31-22(18)27-19)25(2,3)23(30)28-24-29-26-14-32-24/h4-14,21H,1-3H3,(H,28,29,30)/t21-/m0/s1
PDB

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Article
PubMed
n/an/an/an/a 46.8n/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))
BDBM50355736
PNG
(CHEMBL1911147)
Show SMILES Cc1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C25H22N4O2S/c1-15-8-10-16(11-9-15)19-13-12-18-21(17-6-4-5-7-20(17)31-22(18)27-19)25(2,3)23(30)28-24-29-26-14-32-24/h4-14,21H,1-3H3,(H,28,29,30)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 2.21E+3n/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))
BDBM50355736
PNG
(CHEMBL1911147)
Show SMILES Cc1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C25H22N4O2S/c1-15-8-10-16(11-9-15)19-13-12-18-21(17-6-4-5-7-20(17)31-22(18)27-19)25(2,3)23(30)28-24-29-26-14-32-24/h4-14,21H,1-3H3,(H,28,29,30)/t21-/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>5.00E+3n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor alpha human 13D3/Huh7 cells assessed as induction of TAT activity after 4 hrs by spectrophotometr...


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