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SMILES: CC1(CC2c3ccccc3C1c1ccccc21)C(=O)Nc1ccc(cc1O)[N+]([O-])=O

InChI Key: InChIKey=RWELAKLWFPYJLK-UHFFFAOYSA-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 2 hits for monomerid = 50249105   
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))
BDBM50249105
PNG
(CHEMBL514185 | N-(2-hydroxy-4-nitrophenyl)-15-meth...)
Show SMILES CC1(CC2c3ccccc3C1c1ccccc21)C(=O)Nc1ccc(cc1O)[N+]([O-])=O |TLB:0:1:4.9:11.16,8:9:2.1:11.16,12:11:4.9:2.1,THB:17:1:4.9:11.16,(21.57,-.39,;22.91,-1.16,;23.42,-1.93,;23.43,-4.12,;21.56,-4.64,;20.22,-5.41,;18.88,-4.64,;18.89,-3.09,;20.21,-2.32,;21.52,-3.24,;22.91,-2.58,;24.45,-3.47,;25.72,-2.73,;27,-3.46,;27,-4.95,;25.72,-5.69,;24.44,-4.95,;23.67,.18,;22.88,1.51,;25.21,.2,;25.97,1.54,;25.19,2.86,;25.94,4.2,;27.49,4.22,;28.27,2.89,;27.52,1.55,;28.3,.22,;28.23,5.57,;29.78,5.59,;27.45,6.9,)|
Show InChI InChI=1S/C24H20N2O4/c1-24(23(28)25-20-11-10-14(26(29)30)12-21(20)27)13-19-15-6-2-4-8-17(15)22(24)18-9-5-3-7-16(18)19/h2-12,19,22,27H,13H2,1H3,(H,25,28)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
158n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of FITC-dexamethasone from human recombinant glucocorticoid receptor alpha by fluorescence polarization assay


Bioorg Med Chem Lett 19: 2139-43 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.006
BindingDB Entry DOI: 10.7270/Q2XW4KRC
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50249105
PNG
(CHEMBL514185 | N-(2-hydroxy-4-nitrophenyl)-15-meth...)
Show SMILES CC1(CC2c3ccccc3C1c1ccccc21)C(=O)Nc1ccc(cc1O)[N+]([O-])=O |TLB:0:1:4.9:11.16,8:9:2.1:11.16,12:11:4.9:2.1,THB:17:1:4.9:11.16,(21.57,-.39,;22.91,-1.16,;23.42,-1.93,;23.43,-4.12,;21.56,-4.64,;20.22,-5.41,;18.88,-4.64,;18.89,-3.09,;20.21,-2.32,;21.52,-3.24,;22.91,-2.58,;24.45,-3.47,;25.72,-2.73,;27,-3.46,;27,-4.95,;25.72,-5.69,;24.44,-4.95,;23.67,.18,;22.88,1.51,;25.21,.2,;25.97,1.54,;25.19,2.86,;25.94,4.2,;27.49,4.22,;28.27,2.89,;27.52,1.55,;28.3,.22,;28.23,5.57,;29.78,5.59,;27.45,6.9,)|
Show InChI InChI=1S/C24H20N2O4/c1-24(23(28)25-20-11-10-14(26(29)30)12-21(20)27)13-19-15-6-2-4-8-17(15)22(24)18-9-5-3-7-16(18)19/h2-12,19,22,27H,13H2,1H3,(H,25,28)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a>5.00E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Transrepression activity at GR in PMA-stimulated human A549 cells assessed as inhibition of AP1 response element-induced luciferase reporter gene act...


Bioorg Med Chem Lett 19: 2139-43 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.006
BindingDB Entry DOI: 10.7270/Q2XW4KRC
More data for this
Ligand-Target Pair