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SMILES: COc1c(O)ccc2O\C(=C/c3oc(C)cc3C(=O)N(C)C)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12

InChI Key: InChIKey=HIHJSISXWCVUQG-QRVIBDJDSA-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 = 50214926   
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))
BDBM50214926
PNG
((Z)-2-((9-hydroxy-10-methoxy-2,2,4-trimethyl-1,2-d...)
Show SMILES COc1c(O)ccc2O\C(=C/c3oc(C)cc3C(=O)N(C)C)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:26.27,34.34,c:25,t:23,32|
Show InChI InChI=1S/C29H32N2O5/c1-15-14-29(3,4)30-19-9-8-17-25(24(15)19)23(36-21-11-10-20(32)27(34-7)26(17)21)13-22-18(12-16(2)35-22)28(33)31(5)6/h8-14,19,24,30,32H,1-7H3/b23-13-
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
3.40n/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))
BDBM50214926
PNG
((Z)-2-((9-hydroxy-10-methoxy-2,2,4-trimethyl-1,2-d...)
Show SMILES COc1c(O)ccc2O\C(=C/c3oc(C)cc3C(=O)N(C)C)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:26.27,34.34,c:25,t:23,32|
Show InChI InChI=1S/C29H32N2O5/c1-15-14-29(3,4)30-19-9-8-17-25(24(15)19)23(36-21-11-10-20(32)27(34-7)26(17)21)13-22-18(12-16(2)35-22)28(33)31(5)6/h8-14,19,24,30,32H,1-7H3/b23-13-
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.5n/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))
BDBM50214926
PNG
((Z)-2-((9-hydroxy-10-methoxy-2,2,4-trimethyl-1,2-d...)
Show SMILES COc1c(O)ccc2O\C(=C/c3oc(C)cc3C(=O)N(C)C)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:26.27,34.34,c:25,t:23,32|
Show InChI InChI=1S/C29H32N2O5/c1-15-14-29(3,4)30-19-9-8-17-25(24(15)19)23(36-21-11-10-20(32)27(34-7)26(17)21)13-22-18(12-16(2)35-22)28(33)31(5)6/h8-14,19,24,30,32H,1-7H3/b23-13-
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.90n/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))
BDBM50214926
PNG
((Z)-2-((9-hydroxy-10-methoxy-2,2,4-trimethyl-1,2-d...)
Show SMILES COc1c(O)ccc2O\C(=C/c3oc(C)cc3C(=O)N(C)C)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:26.27,34.34,c:25,t:23,32|
Show InChI InChI=1S/C29H32N2O5/c1-15-14-29(3,4)30-19-9-8-17-25(24(15)19)23(36-21-11-10-20(32)27(34-7)26(17)21)13-22-18(12-16(2)35-22)28(33)31(5)6/h8-14,19,24,30,32H,1-7H3/b23-13-
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.40n/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