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BDBM47164 (4,5-dibromo-6-oxopyridazin-1-yl)methyl 4-fluorobenzoate::4-fluorobenzoic acid (4,5-dibromo-6-keto-pyridazin-1-yl)methyl ester::4-fluorobenzoic acid (4,5-dibromo-6-oxo-1-pyridazinyl)methyl ester::MLS000541288::SMR000126146::[4,5-bis(bromanyl)-6-oxidanylidene-pyridazin-1-yl]methyl 4-fluoranylbenzoate::[4,5-dibromo-6-oxo-1(6H)-pyridazinyl]methyl 4-fluorobenzenecarboxylate::cid_1474489

SMILES: Fc1ccc(cc1)C(=O)OCn1ncc(Br)c(Br)c1=O

InChI Key: InChIKey=FJCYBRSOBUDNOK-UHFFFAOYSA-N

Data: 6 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 7 hits for monomerid = 47164   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM47164
PNG
((4,5-dibromo-6-oxopyridazin-1-yl)methyl 4-fluorobe...)
Show SMILES Fc1ccc(cc1)C(=O)OCn1ncc(Br)c(Br)c1=O
Show InChI InChI=1S/C12H7Br2FN2O3/c13-9-5-16-17(11(18)10(9)14)6-20-12(19)7-1-3-8(15)4-2-7/h1-5H,6H2
PDB

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n/an/a 6.83E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM47164
PNG
((4,5-dibromo-6-oxopyridazin-1-yl)methyl 4-fluorobe...)
Show SMILES Fc1ccc(cc1)C(=O)OCn1ncc(Br)c(Br)c1=O
Show InChI InChI=1S/C12H7Br2FN2O3/c13-9-5-16-17(11(18)10(9)14)6-20-12(19)7-1-3-8(15)4-2-7/h1-5H,6H2
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n/an/a 5.05E+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/Q2348HSG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM47164
PNG
((4,5-dibromo-6-oxopyridazin-1-yl)methyl 4-fluorobe...)
Show SMILES Fc1ccc(cc1)C(=O)OCn1ncc(Br)c(Br)c1=O
Show InChI InChI=1S/C12H7Br2FN2O3/c13-9-5-16-17(11(18)10(9)14)6-20-12(19)7-1-3-8(15)4-2-7/h1-5H,6H2
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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 (2009)


BindingDB Entry DOI: 10.7270/Q20C4T6J
More data for this
Ligand-Target Pair
TPA: Essential component of the Translocase of the Inner Mitochondrial membrane (TIM23 complex)


(Saccharomyces cerevisiae S288c)
BDBM47164
PNG
((4,5-dibromo-6-oxopyridazin-1-yl)methyl 4-fluorobe...)
Show SMILES Fc1ccc(cc1)C(=O)OCn1ncc(Br)c(Br)c1=O
Show InChI InChI=1S/C12H7Br2FN2O3/c13-9-5-16-17(11(18)10(9)14)6-20-12(19)7-1-3-8(15)4-2-7/h1-5H,6H2
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n/an/a 1.78E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q26D5RGW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM47164
PNG
((4,5-dibromo-6-oxopyridazin-1-yl)methyl 4-fluorobe...)
Show SMILES Fc1ccc(cc1)C(=O)OCn1ncc(Br)c(Br)c1=O
Show InChI InChI=1S/C12H7Br2FN2O3/c13-9-5-16-17(11(18)10(9)14)6-20-12(19)7-1-3-8(15)4-2-7/h1-5H,6H2
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n/an/a 1.03E+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 Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DB808D
More data for this
Ligand-Target Pair
TPA: Essential protein of the mitochondrial intermembrane space


(Saccharomyces cerevisiae S288c)
BDBM47164
PNG
((4,5-dibromo-6-oxopyridazin-1-yl)methyl 4-fluorobe...)
Show SMILES Fc1ccc(cc1)C(=O)OCn1ncc(Br)c(Br)c1=O
Show InChI InChI=1S/C12H7Br2FN2O3/c13-9-5-16-17(11(18)10(9)14)6-20-12(19)7-1-3-8(15)4-2-7/h1-5H,6H2
PDB
MMDB

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n/an/a 3.30E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F18X6W
More data for this
Ligand-Target Pair
LAP4


(Saccharomyces cerevisiae)
BDBM47164
PNG
((4,5-dibromo-6-oxopyridazin-1-yl)methyl 4-fluorobe...)
Show SMILES Fc1ccc(cc1)C(=O)OCn1ncc(Br)c(Br)c1=O
Show InChI InChI=1S/C12H7Br2FN2O3/c13-9-5-16-17(11(18)10(9)14)6-20-12(19)7-1-3-8(15)4-2-7/h1-5H,6H2
PDB

KEGG

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n/an/an/an/a 1.91E+4n/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