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SMILES: COc1c(O)ccc2O\C(=C/c3cccc(OC(F)(F)F)c3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12

InChI Key: InChIKey=AQSGXNSFFLJMNY-XKZIYDEJSA-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 5 hits for monomerid = 50214940   
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))
BDBM50214940
PNG
((Z)-5-(3-(trifluoromethoxy)benzylidene)-10-methoxy...)
Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(OC(F)(F)F)c3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:26.26,34.35,c:25,t:23,32|
Show InChI InChI=1S/C28H26F3NO4/c1-15-14-27(2,3)32-19-9-8-18-24(23(15)19)22(35-21-11-10-20(33)26(34-4)25(18)21)13-16-6-5-7-17(12-16)36-28(29,30)31/h5-14,19,23,32-33H,1-4H3/b22-13-
PDB

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PC cid
PC sid
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Article
PubMed
4.10n/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))
BDBM50214940
PNG
((Z)-5-(3-(trifluoromethoxy)benzylidene)-10-methoxy...)
Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(OC(F)(F)F)c3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:26.26,34.35,c:25,t:23,32|
Show InChI InChI=1S/C28H26F3NO4/c1-15-14-27(2,3)32-19-9-8-18-24(23(15)19)22(35-21-11-10-20(33)26(34-4)25(18)21)13-16-6-5-7-17(12-16)36-28(29,30)31/h5-14,19,23,32-33H,1-4H3/b22-13-
PDB

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Article
PubMed
n/an/a 1.90n/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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50214940
PNG
((Z)-5-(3-(trifluoromethoxy)benzylidene)-10-methoxy...)
Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(OC(F)(F)F)c3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:26.26,34.35,c:25,t:23,32|
Show InChI InChI=1S/C28H26F3NO4/c1-15-14-27(2,3)32-19-9-8-18-24(23(15)19)22(35-21-11-10-20(33)26(34-4)25(18)21)13-16-6-5-7-17(12-16)36-28(29,30)31/h5-14,19,23,32-33H,1-4H3/b22-13-
PDB

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



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR by GRE activation assay relative to dexamethasone


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))
BDBM50214940
PNG
((Z)-5-(3-(trifluoromethoxy)benzylidene)-10-methoxy...)
Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(OC(F)(F)F)c3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:26.26,34.35,c:25,t:23,32|
Show InChI InChI=1S/C28H26F3NO4/c1-15-14-27(2,3)32-19-9-8-18-24(23(15)19)22(35-21-11-10-20(33)26(34-4)25(18)21)13-16-6-5-7-17(12-16)36-28(29,30)31/h5-14,19,23,32-33H,1-4H3/b22-13-
PDB

KEGG

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PC cid
PC sid
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Article
PubMed
n/an/a 4.70n/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))
BDBM50214940
PNG
((Z)-5-(3-(trifluoromethoxy)benzylidene)-10-methoxy...)
Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(OC(F)(F)F)c3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:26.26,34.35,c:25,t:23,32|
Show InChI InChI=1S/C28H26F3NO4/c1-15-14-27(2,3)32-19-9-8-18-24(23(15)19)22(35-21-11-10-20(33)26(34-4)25(18)21)13-16-6-5-7-17(12-16)36-28(29,30)31/h5-14,19,23,32-33H,1-4H3/b22-13-
PDB

KEGG

UniProtKB/SwissProt

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 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