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BDBM50377342 CHEMBL436848

SMILES: CC1CC(C)(C)Nc2c(C)cc(-c3cc4ccccc4[nH]3)c(Cl)c12

InChI Key: InChIKey=FFFOIRSYFQWGQH-UHFFFAOYSA-N

Data: 4 KI  4 IC50  2 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 10 hits for monomerid = 50377342   
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))
BDBM50377342
PNG
(CHEMBL436848)
Show SMILES CC1CC(C)(C)Nc2c(C)cc(-c3cc4ccccc4[nH]3)c(Cl)c12 |w:1.0|
Show InChI InChI=1S/C21H23ClN2/c1-12-9-15(17-10-14-7-5-6-8-16(14)23-17)19(22)18-13(2)11-21(3,4)24-20(12)18/h5-10,13,23-24H,11H2,1-4H3
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PubMed
100n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled Dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 18: 3504-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.029
BindingDB Entry DOI: 10.7270/Q2CR5V8F
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50377342
PNG
(CHEMBL436848)
Show SMILES CC1CC(C)(C)Nc2c(C)cc(-c3cc4ccccc4[nH]3)c(Cl)c12 |w:1.0|
Show InChI InChI=1S/C21H23ClN2/c1-12-9-15(17-10-14-7-5-6-8-16(14)23-17)19(22)18-13(2)11-21(3,4)24-20(12)18/h5-10,13,23-24H,11H2,1-4H3
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370n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at progesterone receptor


Bioorg Med Chem Lett 18: 3504-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.029
BindingDB Entry DOI: 10.7270/Q2CR5V8F
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50377342
PNG
(CHEMBL436848)
Show SMILES CC1CC(C)(C)Nc2c(C)cc(-c3cc4ccccc4[nH]3)c(Cl)c12 |w:1.0|
Show InChI InChI=1S/C21H23ClN2/c1-12-9-15(17-10-14-7-5-6-8-16(14)23-17)19(22)18-13(2)11-21(3,4)24-20(12)18/h5-10,13,23-24H,11H2,1-4H3
PDB

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770n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled Dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 18: 3504-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.029
BindingDB Entry DOI: 10.7270/Q2CR5V8F
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50377342
PNG
(CHEMBL436848)
Show SMILES CC1CC(C)(C)Nc2c(C)cc(-c3cc4ccccc4[nH]3)c(Cl)c12 |w:1.0|
Show InChI InChI=1S/C21H23ClN2/c1-12-9-15(17-10-14-7-5-6-8-16(14)23-17)19(22)18-13(2)11-21(3,4)24-20(12)18/h5-10,13,23-24H,11H2,1-4H3
PDB

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1.70E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at progesterone receptor


Bioorg Med Chem Lett 18: 3504-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.029
BindingDB Entry DOI: 10.7270/Q2CR5V8F
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50377342
PNG
(CHEMBL436848)
Show SMILES CC1CC(C)(C)Nc2c(C)cc(-c3cc4ccccc4[nH]3)c(Cl)c12 |w:1.0|
Show InChI InChI=1S/C21H23ClN2/c1-12-9-15(17-10-14-7-5-6-8-16(14)23-17)19(22)18-13(2)11-21(3,4)24-20(12)18/h5-10,13,23-24H,11H2,1-4H3
PDB

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n/an/a>1.00E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor assessed as inhibition of dexamethasone-induced glucose response element transcriptional transactivati...


Bioorg Med Chem Lett 18: 3504-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.029
BindingDB Entry DOI: 10.7270/Q2CR5V8F
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50377342
PNG
(CHEMBL436848)
Show SMILES CC1CC(C)(C)Nc2c(C)cc(-c3cc4ccccc4[nH]3)c(Cl)c12 |w:1.0|
Show InChI InChI=1S/C21H23ClN2/c1-12-9-15(17-10-14-7-5-6-8-16(14)23-17)19(22)18-13(2)11-21(3,4)24-20(12)18/h5-10,13,23-24H,11H2,1-4H3
PDB

KEGG

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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor assessed as inhibition of dexamethasone-induced glucose response element transcriptional transactivati...


Bioorg Med Chem Lett 18: 3504-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.029
BindingDB Entry DOI: 10.7270/Q2CR5V8F
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50377342
PNG
(CHEMBL436848)
Show SMILES CC1CC(C)(C)Nc2c(C)cc(-c3cc4ccccc4[nH]3)c(Cl)c12 |w:1.0|
Show InChI InChI=1S/C21H23ClN2/c1-12-9-15(17-10-14-7-5-6-8-16(14)23-17)19(22)18-13(2)11-21(3,4)24-20(12)18/h5-10,13,23-24H,11H2,1-4H3
PDB

KEGG

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Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at glucocorticoid receptor assessed as repression of TNFalpha and IL1 beta-induced E-selectin expression


Bioorg Med Chem Lett 18: 3504-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.029
BindingDB Entry DOI: 10.7270/Q2CR5V8F
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50377342
PNG
(CHEMBL436848)
Show SMILES CC1CC(C)(C)Nc2c(C)cc(-c3cc4ccccc4[nH]3)c(Cl)c12 |w:1.0|
Show InChI InChI=1S/C21H23ClN2/c1-12-9-15(17-10-14-7-5-6-8-16(14)23-17)19(22)18-13(2)11-21(3,4)24-20(12)18/h5-10,13,23-24H,11H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt
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B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor assessed as glucose repsponse element transcriptional transactivation by luciferase assay


Bioorg Med Chem Lett 18: 3504-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.029
BindingDB Entry DOI: 10.7270/Q2CR5V8F
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50377342
PNG
(CHEMBL436848)
Show SMILES CC1CC(C)(C)Nc2c(C)cc(-c3cc4ccccc4[nH]3)c(Cl)c12 |w:1.0|
Show InChI InChI=1S/C21H23ClN2/c1-12-9-15(17-10-14-7-5-6-8-16(14)23-17)19(22)18-13(2)11-21(3,4)24-20(12)18/h5-10,13,23-24H,11H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at glucocorticoid receptor assessed as repression of TNFalpha and IL1 beta-induced E-selectin expression


Bioorg Med Chem Lett 18: 3504-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.029
BindingDB Entry DOI: 10.7270/Q2CR5V8F
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50377342
PNG
(CHEMBL436848)
Show SMILES CC1CC(C)(C)Nc2c(C)cc(-c3cc4ccccc4[nH]3)c(Cl)c12 |w:1.0|
Show InChI InChI=1S/C21H23ClN2/c1-12-9-15(17-10-14-7-5-6-8-16(14)23-17)19(22)18-13(2)11-21(3,4)24-20(12)18/h5-10,13,23-24H,11H2,1-4H3
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+3n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor assessed as glucose repsponse element transcriptional transactivation by luciferase assay


Bioorg Med Chem Lett 18: 3504-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.029
BindingDB Entry DOI: 10.7270/Q2CR5V8F
More data for this
Ligand-Target Pair