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BDBM44460 1-Amino-4-bromo-anthraquinone::1-amino-4-bromo-9,10-anthraquinone::1-amino-4-bromoanthracene-9,10-dione::1-azanyl-4-bromanyl-anthracene-9,10-dione::MLS000525406::SMR000122280::cid_627326

SMILES: Nc1ccc(Br)c2C(=O)c3ccccc3C(=O)c12

InChI Key: InChIKey=JOVRIPGYHSRFFR-UHFFFAOYSA-N

Data: 5 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 8 hits for monomerid = 44460   
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
Eph receptor A4


(Mus musculus)
BDBM44460
PNG
(1-Amino-4-bromo-anthraquinone | 1-amino-4-bromo-9,...)
Show SMILES Nc1ccc(Br)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H8BrNO2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,16H2
PDB
MMDB

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n/an/a 1.35E+4n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2P55KW4
More data for this
Ligand-Target Pair
Eph receptor A4


(Mus musculus)
BDBM44460
PNG
(1-Amino-4-bromo-anthraquinone | 1-amino-4-bromo-9,...)
Show SMILES Nc1ccc(Br)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H8BrNO2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,16H2
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MMDB

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n/an/a>5.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2JD4V5T
More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM44460
PNG
(1-Amino-4-bromo-anthraquinone | 1-amino-4-bromo-9,...)
Show SMILES Nc1ccc(Br)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H8BrNO2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,16H2
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n/an/a 5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M90723
More data for this
Ligand-Target Pair
phosphomannomutase 2


(Homo sapiens)
BDBM44460
PNG
(1-Amino-4-bromo-anthraquinone | 1-amino-4-bromo-9,...)
Show SMILES Nc1ccc(Br)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H8BrNO2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,16H2
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Article
PubMed
n/an/a>8.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified PMM2


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
RPL19A


(Saccharomyces cerevisiae)
BDBM44460
PNG
(1-Amino-4-bromo-anthraquinone | 1-amino-4-bromo-9,...)
Show SMILES Nc1ccc(Br)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H8BrNO2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,16H2
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n/an/an/an/a 3.16E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2JQ0ZGP
More data for this
Ligand-Target Pair
LAP4


(Saccharomyces cerevisiae)
BDBM44460
PNG
(1-Amino-4-bromo-anthraquinone | 1-amino-4-bromo-9,...)
Show SMILES Nc1ccc(Br)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H8BrNO2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,16H2
PDB

KEGG

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n/an/an/an/a 1.18E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens)
BDBM44460
PNG
(1-Amino-4-bromo-anthraquinone | 1-amino-4-bromo-9,...)
Show SMILES Nc1ccc(Br)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H8BrNO2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,16H2
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n/an/a 3.60E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified phosphomannose isomerase


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
MEP2


(Saccharomyces cerevisiae)
BDBM44460
PNG
(1-Amino-4-bromo-anthraquinone | 1-amino-4-bromo-9,...)
Show SMILES Nc1ccc(Br)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H8BrNO2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,16H2
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n/an/an/an/a 1.04E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F18X5F
More data for this
Ligand-Target Pair