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BDBM82792 2-[4-[(Z)-2-(2,4-diketo-5-nitro-1H-pyrimidin-6-yl)vinyl]phenoxy]-N-(m-tolyl)acetamide::MLS000690435::N-(3-methylphenyl)-2-[4-[(Z)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]acetamide::N-(3-methylphenyl)-2-[4-[(Z)-2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]phenoxy]ethanamide::N-(3-methylphenyl)-2-{4-[2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)vinyl]phenoxy}acetamide::SMR000300238::cid_5739979

SMILES: Cc1cccc(NC(=O)COc2ccc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+]([O-])=O)cc2)c1

InChI Key: InChIKey=DRERXXIFEGSVDR-YFHOEESVSA-N

Data: 3 IC50

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 3 hits for monomerid = 82792   
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
Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1


(Homo sapiens (Human))
BDBM82792
PNG
(2-[4-[(Z)-2-(2,4-diketo-5-nitro-1H-pyrimidin-6-yl)...)
Show SMILES Cc1cccc(NC(=O)COc2ccc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+]([O-])=O)cc2)c1 |w:16.16|
Show InChI InChI=1S/C21H18N4O6/c1-13-3-2-4-15(11-13)22-18(26)12-31-16-8-5-14(6-9-16)7-10-17-19(25(29)30)20(27)24-21(28)23-17/h2-11H,12H2,1H3,(H,22,26)(H2,23,24,27,28)/b10-7-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
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, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM82792
PNG
(2-[4-[(Z)-2-(2,4-diketo-5-nitro-1H-pyrimidin-6-yl)...)
Show SMILES Cc1cccc(NC(=O)COc2ccc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+]([O-])=O)cc2)c1 |w:16.16|
Show InChI InChI=1S/C21H18N4O6/c1-13-3-2-4-15(11-13)22-18(26)12-31-16-8-5-14(6-9-16)7-10-17-19(25(29)30)20(27)24-21(28)23-17/h2-11H,12H2,1H3,(H,22,26)(H2,23,24,27,28)/b10-7-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>8.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM82792
PNG
(2-[4-[(Z)-2-(2,4-diketo-5-nitro-1H-pyrimidin-6-yl)...)
Show SMILES Cc1cccc(NC(=O)COc2ccc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+]([O-])=O)cc2)c1 |w:16.16|
Show InChI InChI=1S/C21H18N4O6/c1-13-3-2-4-15(11-13)22-18(26)12-31-16-8-5-14(6-9-16)7-10-17-19(25(29)30)20(27)24-21(28)23-17/h2-11H,12H2,1H3,(H,22,26)(H2,23,24,27,28)/b10-7-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>8.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair