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BDBM83060 MLS001076797::N-[(E)-[5-(2-chloro-4-nitro-phenyl)-2-furyl]methyleneamino]-5-methyl-1H-pyrazole-3-carboxamide::N-[[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide::N-[[5-(2-chloro-4-nitro-phenyl)-2-furyl]methyleneamino]-5-methyl-1H-pyrazole-3-carboxamide::N-[[5-(2-chloro-4-nitrophenyl)-2-furanyl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide::N-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide::SMR000646583::cid_1940545

SMILES: Cc1cc([nH]n1)C(=O)NN=Cc1ccc(o1)-c1ccc(cc1Cl)[N+]([O-])=O

InChI Key: InChIKey=SPQXPYXGMNMEAG-QGMBQPNBSA-N

Data: 8 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 8 hits for monomerid = 83060   
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 isoform 1


(Homo sapiens (Human))
BDBM83060
PNG
(MLS001076797 | N-[(E)-[5-(2-chloro-4-nitro-phenyl)...)
Show SMILES Cc1cc([nH]n1)C(=O)NN=Cc1ccc(o1)-c1ccc(cc1Cl)[N+]([O-])=O |w:9.9|
Show InChI InChI=1S/C16H12ClN5O4/c1-9-6-14(20-19-9)16(23)21-18-8-11-3-5-15(26-11)12-4-2-10(22(24)25)7-13(12)17/h2-8H,1H3,(H,19,20)(H,21,23)/b18-8+
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KEGG

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n/an/a 7.05E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM83060
PNG
(MLS001076797 | N-[(E)-[5-(2-chloro-4-nitro-phenyl)...)
Show SMILES Cc1cc([nH]n1)C(=O)NN=Cc1ccc(o1)-c1ccc(cc1Cl)[N+]([O-])=O |w:9.9|
Show InChI InChI=1S/C16H12ClN5O4/c1-9-6-14(20-19-9)16(23)21-18-8-11-3-5-15(26-11)12-4-2-10(22(24)25)7-13(12)17/h2-8H,1H3,(H,19,20)(H,21,23)/b18-8+
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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 (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM83060
PNG
(MLS001076797 | N-[(E)-[5-(2-chloro-4-nitro-phenyl)...)
Show SMILES Cc1cc([nH]n1)C(=O)NN=Cc1ccc(o1)-c1ccc(cc1Cl)[N+]([O-])=O |w:9.9|
Show InChI InChI=1S/C16H12ClN5O4/c1-9-6-14(20-19-9)16(23)21-18-8-11-3-5-15(26-11)12-4-2-10(22(24)25)7-13(12)17/h2-8H,1H3,(H,19,20)(H,21,23)/b18-8+
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n/an/a 1.36E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2959G44
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM83060
PNG
(MLS001076797 | N-[(E)-[5-(2-chloro-4-nitro-phenyl)...)
Show SMILES Cc1cc([nH]n1)C(=O)NN=Cc1ccc(o1)-c1ccc(cc1Cl)[N+]([O-])=O |w:9.9|
Show InChI InChI=1S/C16H12ClN5O4/c1-9-6-14(20-19-9)16(23)21-18-8-11-3-5-15(26-11)12-4-2-10(22(24)25)7-13(12)17/h2-8H,1H3,(H,19,20)(H,21,23)/b18-8+
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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
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM83060
PNG
(MLS001076797 | N-[(E)-[5-(2-chloro-4-nitro-phenyl)...)
Show SMILES Cc1cc([nH]n1)C(=O)NN=Cc1ccc(o1)-c1ccc(cc1Cl)[N+]([O-])=O |w:9.9|
Show InChI InChI=1S/C16H12ClN5O4/c1-9-6-14(20-19-9)16(23)21-18-8-11-3-5-15(26-11)12-4-2-10(22(24)25)7-13(12)17/h2-8H,1H3,(H,19,20)(H,21,23)/b18-8+
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n/an/a>8.00E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2KH0KWR
More data for this
Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM83060
PNG
(MLS001076797 | N-[(E)-[5-(2-chloro-4-nitro-phenyl)...)
Show SMILES Cc1cc([nH]n1)C(=O)NN=Cc1ccc(o1)-c1ccc(cc1Cl)[N+]([O-])=O |w:9.9|
Show InChI InChI=1S/C16H12ClN5O4/c1-9-6-14(20-19-9)16(23)21-18-8-11-3-5-15(26-11)12-4-2-10(22(24)25)7-13(12)17/h2-8H,1H3,(H,19,20)(H,21,23)/b18-8+
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n/an/a>1.00E+5n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2FQ9V6B
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM83060
PNG
(MLS001076797 | N-[(E)-[5-(2-chloro-4-nitro-phenyl)...)
Show SMILES Cc1cc([nH]n1)C(=O)NN=Cc1ccc(o1)-c1ccc(cc1Cl)[N+]([O-])=O |w:9.9|
Show InChI InChI=1S/C16H12ClN5O4/c1-9-6-14(20-19-9)16(23)21-18-8-11-3-5-15(26-11)12-4-2-10(22(24)25)7-13(12)17/h2-8H,1H3,(H,19,20)(H,21,23)/b18-8+
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n/an/a 1.90E+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
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM83060
PNG
(MLS001076797 | N-[(E)-[5-(2-chloro-4-nitro-phenyl)...)
Show SMILES Cc1cc([nH]n1)C(=O)NN=Cc1ccc(o1)-c1ccc(cc1Cl)[N+]([O-])=O |w:9.9|
Show InChI InChI=1S/C16H12ClN5O4/c1-9-6-14(20-19-9)16(23)21-18-8-11-3-5-15(26-11)12-4-2-10(22(24)25)7-13(12)17/h2-8H,1H3,(H,19,20)(H,21,23)/b18-8+
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n/an/a 3.42E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2T43RPN
More data for this
Ligand-Target Pair