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SMILES: COc1c(O)ccc2O\C(=C/c3ccccc3C)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12

InChI Key: InChIKey=LPMXWEDLVSWNIP-UCQKPKSFSA-N

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 4 hits for monomerid = 50214943   
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))
BDBM50214943
PNG
(10-methoxy-2,2,4-trimethyl-5-[1-o-tolyl-meth-(Z)-y...)
Show SMILES COc1c(O)ccc2O\C(=C/c3ccccc3C)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28|
Show InChI InChI=1S/C28H29NO3/c1-16-8-6-7-9-18(16)14-23-25-19(26-22(32-23)13-12-21(30)27(26)31-5)10-11-20-24(25)17(2)15-28(3,4)29-20/h6-15,20,24,29-30H,1-5H3/b23-14-
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.70n/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 17: 4158-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.062
BindingDB Entry DOI: 10.7270/Q2DF6QXW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50214943
PNG
(10-methoxy-2,2,4-trimethyl-5-[1-o-tolyl-meth-(Z)-y...)
Show SMILES COc1c(O)ccc2O\C(=C/c3ccccc3C)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28|
Show InChI InChI=1S/C28H29NO3/c1-16-8-6-7-9-18(16)14-23-25-19(26-22(32-23)13-12-21(30)27(26)31-5)10-11-20-24(25)17(2)15-28(3,4)29-20/h6-15,20,24,29-30H,1-5H3/b23-14-
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Article
PubMed
n/an/an/an/a 3.40n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR by GRE activation assay


Bioorg Med Chem Lett 17: 4158-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.062
BindingDB Entry DOI: 10.7270/Q2DF6QXW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50214943
PNG
(10-methoxy-2,2,4-trimethyl-5-[1-o-tolyl-meth-(Z)-y...)
Show SMILES COc1c(O)ccc2O\C(=C/c3ccccc3C)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28|
Show InChI InChI=1S/C28H29NO3/c1-16-8-6-7-9-18(16)14-23-25-19(26-22(32-23)13-12-21(30)27(26)31-5)10-11-20-24(25)17(2)15-28(3,4)29-20/h6-15,20,24,29-30H,1-5H3/b23-14-
PDB

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UniProtKB/SwissProt

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Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at GR assessed as repression of TNFalpha and IL 1beta induced E-selectin response


Bioorg Med Chem Lett 17: 4158-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.062
BindingDB Entry DOI: 10.7270/Q2DF6QXW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50214943
PNG
(10-methoxy-2,2,4-trimethyl-5-[1-o-tolyl-meth-(Z)-y...)
Show SMILES COc1c(O)ccc2O\C(=C/c3ccccc3C)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28|
Show InChI InChI=1S/C28H29NO3/c1-16-8-6-7-9-18(16)14-23-25-19(26-22(32-23)13-12-21(30)27(26)31-5)10-11-20-24(25)17(2)15-28(3,4)29-20/h6-15,20,24,29-30H,1-5H3/b23-14-
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at GR assessed as inhibition of dexamethasone-induced GRE activation


Bioorg Med Chem Lett 17: 4158-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.062
BindingDB Entry DOI: 10.7270/Q2DF6QXW
More data for this
Ligand-Target Pair