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BDBM50214918 5-[1-biphenyl-2-yl-meth-(Z)-ylidene]-10-methoxy-2,2,4-trimethyl-2,4a,5,12a-tetrahydro-1H-6-oxa-1-aza-chrysen-9-ol::CHEMBL231757

SMILES: COc1c(O)ccc2O\C(=C/c3ccccc3-c3ccccc3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12

InChI Key: InChIKey=PHIKTZJVOVUJJS-VEILYXNESA-N

Data: 1 KI  2 IC50  1 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 4 hits for monomerid = 50214918   
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))
BDBM50214918
PNG
(5-[1-biphenyl-2-yl-meth-(Z)-ylidene]-10-methoxy-2,...)
Show SMILES COc1c(O)ccc2O\C(=C/c3ccccc3-c3ccccc3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:27.28,35.37,c:27,t:25,34|
Show InChI InChI=1S/C33H31NO3/c1-20-19-33(2,3)34-25-15-14-24-30(29(20)25)28(37-27-17-16-26(35)32(36-4)31(24)27)18-22-12-8-9-13-23(22)21-10-6-5-7-11-21/h5-19,25,29,34-35H,1-4H3/b28-18-
PDB

KEGG

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UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
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Article
PubMed
6.70n/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))
BDBM50214918
PNG
(5-[1-biphenyl-2-yl-meth-(Z)-ylidene]-10-methoxy-2,...)
Show SMILES COc1c(O)ccc2O\C(=C/c3ccccc3-c3ccccc3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:27.28,35.37,c:27,t:25,34|
Show InChI InChI=1S/C33H31NO3/c1-20-19-33(2,3)34-25-15-14-24-30(29(20)25)28(37-27-17-16-26(35)32(36-4)31(24)27)18-22-12-8-9-13-23(22)21-10-6-5-7-11-21/h5-19,25,29,34-35H,1-4H3/b28-18-
PDB

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PC sid
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Article
PubMed
n/an/an/an/a 4.5n/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))
BDBM50214918
PNG
(5-[1-biphenyl-2-yl-meth-(Z)-ylidene]-10-methoxy-2,...)
Show SMILES COc1c(O)ccc2O\C(=C/c3ccccc3-c3ccccc3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:27.28,35.37,c:27,t:25,34|
Show InChI InChI=1S/C33H31NO3/c1-20-19-33(2,3)34-25-15-14-24-30(29(20)25)28(37-27-17-16-26(35)32(36-4)31(24)27)18-22-12-8-9-13-23(22)21-10-6-5-7-11-21/h5-19,25,29,34-35H,1-4H3/b28-18-
PDB

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Article
PubMed
n/an/a 3.60n/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))
BDBM50214918
PNG
(5-[1-biphenyl-2-yl-meth-(Z)-ylidene]-10-methoxy-2,...)
Show SMILES COc1c(O)ccc2O\C(=C/c3ccccc3-c3ccccc3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:27.28,35.37,c:27,t:25,34|
Show InChI InChI=1S/C33H31NO3/c1-20-19-33(2,3)34-25-15-14-24-30(29(20)25)28(37-27-17-16-26(35)32(36-4)31(24)27)18-22-12-8-9-13-23(22)21-10-6-5-7-11-21/h5-19,25,29,34-35H,1-4H3/b28-18-
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 4.40n/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