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BDBM50355748 CHEMBL1911144

SMILES: CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccccc1)C(=O)Nc1nncs1

InChI Key: InChIKey=DJPCZSGKILEQOC-FQEVSTJZSA-N

Data: 1 KI  4 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50355748   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355748
PNG
(CHEMBL1911144)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccccc1)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C24H20N4O2S/c1-24(2,22(29)27-23-28-25-14-31-23)20-16-10-6-7-11-19(16)30-21-17(20)12-13-18(26-21)15-8-4-3-5-9-15/h3-14,20H,1-2H3,(H,27,28,29)/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.10n/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))
BDBM50355748
PNG
(CHEMBL1911144)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccccc1)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C24H20N4O2S/c1-24(2,22(29)27-23-28-25-14-31-23)20-16-10-6-7-11-19(16)30-21-17(20)12-13-18(26-21)15-8-4-3-5-9-15/h3-14,20H,1-2H3,(H,27,28,29)/t20-/m0/s1
PDB

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B.MOAD
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a>1.50E+3n/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))
BDBM50355748
PNG
(CHEMBL1911144)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccccc1)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C24H20N4O2S/c1-24(2,22(29)27-23-28-25-14-31-23)20-16-10-6-7-11-19(16)30-21-17(20)12-13-18(26-21)15-8-4-3-5-9-15/h3-14,20H,1-2H3,(H,27,28,29)/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/an/an/a 187n/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))
BDBM50355748
PNG
(CHEMBL1911144)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccccc1)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C24H20N4O2S/c1-24(2,22(29)27-23-28-25-14-31-23)20-16-10-6-7-11-19(16)30-21-17(20)12-13-18(26-21)15-8-4-3-5-9-15/h3-14,20H,1-2H3,(H,27,28,29)/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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 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))
BDBM50355748
PNG
(CHEMBL1911144)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccccc1)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C24H20N4O2S/c1-24(2,22(29)27-23-28-25-14-31-23)20-16-10-6-7-11-19(16)30-21-17(20)12-13-18(26-21)15-8-4-3-5-9-15/h3-14,20H,1-2H3,(H,27,28,29)/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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