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BDBM54327 2-[(6-bromanylquinazolin-4-yl)amino]-4-nitro-phenol;hydrochloride::2-[(6-bromo-4-quinazolinyl)amino]-4-nitrophenol hydrochloride::2-[(6-bromo-4-quinazolinyl)amino]-4-nitrophenol;hydrochloride::2-[(6-bromoquinazolin-4-yl)amino]-4-nitro-phenol;hydrochloride::2-[(6-bromoquinazolin-4-yl)amino]-4-nitrophenol;hydrochloride::MLS000690693::SMR000301111::cid_5711520

SMILES: Oc1ccc(cc1Nc1ncnc2ccc(Br)cc12)[N+]([O-])=O

InChI Key: InChIKey=WQESQFPXLBRJRW-UHFFFAOYSA-N

Data: 7 IC50  3 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 10 hits for monomerid = 54327   
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
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM54327
PNG
(2-[(6-bromanylquinazolin-4-yl)amino]-4-nitro-pheno...)
Show SMILES Oc1ccc(cc1Nc1ncnc2ccc(Br)cc12)[N+]([O-])=O
Show InChI InChI=1S/C14H9BrN4O3/c15-8-1-3-11-10(5-8)14(17-7-16-11)18-12-6-9(19(21)22)2-4-13(12)20/h1-7,20H,(H,16,17,18)
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n/an/a 1.88E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


Article DOI: 10.1021/cb400526n
BindingDB Entry DOI: 10.7270/Q23R0R8T
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54327
PNG
(2-[(6-bromanylquinazolin-4-yl)amino]-4-nitro-pheno...)
Show SMILES Oc1ccc(cc1Nc1ncnc2ccc(Br)cc12)[N+]([O-])=O
Show InChI InChI=1S/C14H9BrN4O3/c15-8-1-3-11-10(5-8)14(17-7-16-11)18-12-6-9(19(21)22)2-4-13(12)20/h1-7,20H,(H,16,17,18)
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n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM54327
PNG
(2-[(6-bromanylquinazolin-4-yl)amino]-4-nitro-pheno...)
Show SMILES Oc1ccc(cc1Nc1ncnc2ccc(Br)cc12)[N+]([O-])=O
Show InChI InChI=1S/C14H9BrN4O3/c15-8-1-3-11-10(5-8)14(17-7-16-11)18-12-6-9(19(21)22)2-4-13(12)20/h1-7,20H,(H,16,17,18)
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n/an/an/an/a 2.64E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


Article DOI: 10.1016/j.bioorg.2013.09.002
BindingDB Entry DOI: 10.7270/Q2CN72C0
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM54327
PNG
(2-[(6-bromanylquinazolin-4-yl)amino]-4-nitro-pheno...)
Show SMILES Oc1ccc(cc1Nc1ncnc2ccc(Br)cc12)[N+]([O-])=O
Show InChI InChI=1S/C14H9BrN4O3/c15-8-1-3-11-10(5-8)14(17-7-16-11)18-12-6-9(19(21)22)2-4-13(12)20/h1-7,20H,(H,16,17,18)
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n/an/a 2.15E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Z899VD
More data for this
Ligand-Target Pair
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM54327
PNG
(2-[(6-bromanylquinazolin-4-yl)amino]-4-nitro-pheno...)
Show SMILES Oc1ccc(cc1Nc1ncnc2ccc(Br)cc12)[N+]([O-])=O
Show InChI InChI=1S/C14H9BrN4O3/c15-8-1-3-11-10(5-8)14(17-7-16-11)18-12-6-9(19(21)22)2-4-13(12)20/h1-7,20H,(H,16,17,18)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2NC5ZS3
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM54327
PNG
(2-[(6-bromanylquinazolin-4-yl)amino]-4-nitro-pheno...)
Show SMILES Oc1ccc(cc1Nc1ncnc2ccc(Br)cc12)[N+]([O-])=O
Show InChI InChI=1S/C14H9BrN4O3/c15-8-1-3-11-10(5-8)14(17-7-16-11)18-12-6-9(19(21)22)2-4-13(12)20/h1-7,20H,(H,16,17,18)
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n/an/a 6.28E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM54327
PNG
(2-[(6-bromanylquinazolin-4-yl)amino]-4-nitro-pheno...)
Show SMILES Oc1ccc(cc1Nc1ncnc2ccc(Br)cc12)[N+]([O-])=O
Show InChI InChI=1S/C14H9BrN4O3/c15-8-1-3-11-10(5-8)14(17-7-16-11)18-12-6-9(19(21)22)2-4-13(12)20/h1-7,20H,(H,16,17,18)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


Article DOI: 10.1002/cbic.201402089
BindingDB Entry DOI: 10.7270/Q25M6443
More data for this
Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens (Human))
BDBM54327
PNG
(2-[(6-bromanylquinazolin-4-yl)amino]-4-nitro-pheno...)
Show SMILES Oc1ccc(cc1Nc1ncnc2ccc(Br)cc12)[N+]([O-])=O
Show InChI InChI=1S/C14H9BrN4O3/c15-8-1-3-11-10(5-8)14(17-7-16-11)18-12-6-9(19(21)22)2-4-13(12)20/h1-7,20H,(H,16,17,18)
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n/an/a 5.46E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


Article DOI: 10.1016/j.bioorg.2015.08.001
BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM54327
PNG
(2-[(6-bromanylquinazolin-4-yl)amino]-4-nitro-pheno...)
Show SMILES Oc1ccc(cc1Nc1ncnc2ccc(Br)cc12)[N+]([O-])=O
Show InChI InChI=1S/C14H9BrN4O3/c15-8-1-3-11-10(5-8)14(17-7-16-11)18-12-6-9(19(21)22)2-4-13(12)20/h1-7,20H,(H,16,17,18)
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n/an/an/an/a 5.78E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.2085
BindingDB Entry DOI: 10.7270/Q2VX0F3D
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM54327
PNG
(2-[(6-bromanylquinazolin-4-yl)amino]-4-nitro-pheno...)
Show SMILES Oc1ccc(cc1Nc1ncnc2ccc(Br)cc12)[N+]([O-])=O
Show InChI InChI=1S/C14H9BrN4O3/c15-8-1-3-11-10(5-8)14(17-7-16-11)18-12-6-9(19(21)22)2-4-13(12)20/h1-7,20H,(H,16,17,18)
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n/an/a 3.53E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TH8K43
More data for this
Ligand-Target Pair