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BDBM46608 (4E)-5-methyl-4-[(3-nitroanilino)methylene]-2-phenyl-2-pyrazoline-3-thione::(4E)-5-methyl-4-[(3-nitroanilino)methylidene]-2-phenyl-3-pyrazolethione::(4E)-5-methyl-4-[(3-nitroanilino)methylidene]-2-phenylpyrazole-3-thione::(4E)-5-methyl-4-[[(3-nitrophenyl)amino]methylidene]-2-phenyl-pyrazole-3-thione::(4Z)-5-methyl-4-[(3-nitroanilino)methylene]-2-phenyl-2-pyrazoline-3-thione::MLS-0100444.0001::cid_6945186

SMILES: Cc1[n-]n(-c2ccccc2)c(=S)c1\C=[NH+]\c1cccc(c1)[N+]([O-])=O

InChI Key: InChIKey=IHHUWONZQAREJT-UHFFFAOYSA-N

Data: 3 KI  4 IC50  11 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 18 hits for monomerid = 46608   
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
regulator of G-protein signalling 16


(Homo sapiens (Human))
BDBM46608
PNG
((4E)-5-methyl-4-[(3-nitroanilino)methylene]-2-phen...)
Show SMILES Cc1[n-]n(-c2ccccc2)c(=S)c1\C=[NH+]\c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H14N4O2S/c1-12-16(11-18-13-6-5-9-15(10-13)21(22)23)17(24)20(19-12)14-7-3-2-4-8-14/h2-11H,1H3,(H,18,19,24)
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40n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Regulator of G-protein signaling 8


(Homo sapiens (Human))
BDBM46608
PNG
((4E)-5-methyl-4-[(3-nitroanilino)methylene]-2-phen...)
Show SMILES Cc1[n-]n(-c2ccccc2)c(=S)c1\C=[NH+]\c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H14N4O2S/c1-12-16(11-18-13-6-5-9-15(10-13)21(22)23)17(24)20(19-12)14-7-3-2-4-8-14/h2-11H,1H3,(H,18,19,24)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
regulator of G-protein signaling 4


(Homo sapiens (Human))
BDBM46608
PNG
((4E)-5-methyl-4-[(3-nitroanilino)methylene]-2-phen...)
Show SMILES Cc1[n-]n(-c2ccccc2)c(=S)c1\C=[NH+]\c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H14N4O2S/c1-12-16(11-18-13-6-5-9-15(10-13)21(22)23)17(24)20(19-12)14-7-3-2-4-8-14/h2-11H,1H3,(H,18,19,24)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
phosphomannomutase 2


(Homo sapiens (Human))
BDBM46608
PNG
((4E)-5-methyl-4-[(3-nitroanilino)methylene]-2-phen...)
Show SMILES Cc1[n-]n(-c2ccccc2)c(=S)c1\C=[NH+]\c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H14N4O2S/c1-12-16(11-18-13-6-5-9-15(10-13)21(22)23)17(24)20(19-12)14-7-3-2-4-8-14/h2-11H,1H3,(H,18,19,24)
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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)

More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens (Human))
BDBM46608
PNG
((4E)-5-methyl-4-[(3-nitroanilino)methylene]-2-phen...)
Show SMILES Cc1[n-]n(-c2ccccc2)c(=S)c1\C=[NH+]\c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H14N4O2S/c1-12-16(11-18-13-6-5-9-15(10-13)21(22)23)17(24)20(19-12)14-7-3-2-4-8-14/h2-11H,1H3,(H,18,19,24)
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n/an/a 3.11E+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)

More data for this
Ligand-Target Pair
Regulator of G-protein signaling 8


(Homo sapiens (Human))
BDBM46608
PNG
((4E)-5-methyl-4-[(3-nitroanilino)methylene]-2-phen...)
Show SMILES Cc1[n-]n(-c2ccccc2)c(=S)c1\C=[NH+]\c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H14N4O2S/c1-12-16(11-18-13-6-5-9-15(10-13)21(22)23)17(24)20(19-12)14-7-3-2-4-8-14/h2-11H,1H3,(H,18,19,24)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
regulator of G-protein signaling 4


(Homo sapiens (Human))
BDBM46608
PNG
((4E)-5-methyl-4-[(3-nitroanilino)methylene]-2-phen...)
Show SMILES Cc1[n-]n(-c2ccccc2)c(=S)c1\C=[NH+]\c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H14N4O2S/c1-12-16(11-18-13-6-5-9-15(10-13)21(22)23)17(24)20(19-12)14-7-3-2-4-8-14/h2-11H,1H3,(H,18,19,24)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb400177q
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens (Human))
BDBM46608
PNG
((4E)-5-methyl-4-[(3-nitroanilino)methylene]-2-phen...)
Show SMILES Cc1[n-]n(-c2ccccc2)c(=S)c1\C=[NH+]\c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H14N4O2S/c1-12-16(11-18-13-6-5-9-15(10-13)21(22)23)17(24)20(19-12)14-7-3-2-4-8-14/h2-11H,1H3,(H,18,19,24)
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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 (2009)


Article DOI: 10.1021/cb4002552
More data for this
Ligand-Target Pair
regulator of G-protein signaling 4


(Homo sapiens (Human))
BDBM46608
PNG
((4E)-5-methyl-4-[(3-nitroanilino)methylene]-2-phen...)
Show SMILES Cc1[n-]n(-c2ccccc2)c(=S)c1\C=[NH+]\c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H14N4O2S/c1-12-16(11-18-13-6-5-9-15(10-13)21(22)23)17(24)20(19-12)14-7-3-2-4-8-14/h2-11H,1H3,(H,18,19,24)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
RGS7


(Homo sapiens (Human))
BDBM46608
PNG
((4E)-5-methyl-4-[(3-nitroanilino)methylene]-2-phen...)
Show SMILES Cc1[n-]n(-c2ccccc2)c(=S)c1\C=[NH+]\c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H14N4O2S/c1-12-16(11-18-13-6-5-9-15(10-13)21(22)23)17(24)20(19-12)14-7-3-2-4-8-14/h2-11H,1H3,(H,18,19,24)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
regulator of G-protein signalling 16


(Homo sapiens (Human))
BDBM46608
PNG
((4E)-5-methyl-4-[(3-nitroanilino)methylene]-2-phen...)
Show SMILES Cc1[n-]n(-c2ccccc2)c(=S)c1\C=[NH+]\c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H14N4O2S/c1-12-16(11-18-13-6-5-9-15(10-13)21(22)23)17(24)20(19-12)14-7-3-2-4-8-14/h2-11H,1H3,(H,18,19,24)
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n/an/an/an/a 46n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Regulator of G-protein signaling 8


(Homo sapiens (Human))
BDBM46608
PNG
((4E)-5-methyl-4-[(3-nitroanilino)methylene]-2-phen...)
Show SMILES Cc1[n-]n(-c2ccccc2)c(=S)c1\C=[NH+]\c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H14N4O2S/c1-12-16(11-18-13-6-5-9-15(10-13)21(22)23)17(24)20(19-12)14-7-3-2-4-8-14/h2-11H,1H3,(H,18,19,24)
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n/an/an/an/a 218n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
G protein signalling regulator 19


(Homo sapiens (Human))
BDBM46608
PNG
((4E)-5-methyl-4-[(3-nitroanilino)methylene]-2-phen...)
Show SMILES Cc1[n-]n(-c2ccccc2)c(=S)c1\C=[NH+]\c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H14N4O2S/c1-12-16(11-18-13-6-5-9-15(10-13)21(22)23)17(24)20(19-12)14-7-3-2-4-8-14/h2-11H,1H3,(H,18,19,24)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM46608
PNG
((4E)-5-methyl-4-[(3-nitroanilino)methylene]-2-phen...)
Show SMILES Cc1[n-]n(-c2ccccc2)c(=S)c1\C=[NH+]\c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H14N4O2S/c1-12-16(11-18-13-6-5-9-15(10-13)21(22)23)17(24)20(19-12)14-7-3-2-4-8-14/h2-11H,1H3,(H,18,19,24)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
regulator of G-protein signalling 16


(Homo sapiens (Human))
BDBM46608
PNG
((4E)-5-methyl-4-[(3-nitroanilino)methylene]-2-phen...)
Show SMILES Cc1[n-]n(-c2ccccc2)c(=S)c1\C=[NH+]\c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H14N4O2S/c1-12-16(11-18-13-6-5-9-15(10-13)21(22)23)17(24)20(19-12)14-7-3-2-4-8-14/h2-11H,1H3,(H,18,19,24)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens (Human))
BDBM46608
PNG
((4E)-5-methyl-4-[(3-nitroanilino)methylene]-2-phen...)
Show SMILES Cc1[n-]n(-c2ccccc2)c(=S)c1\C=[NH+]\c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H14N4O2S/c1-12-16(11-18-13-6-5-9-15(10-13)21(22)23)17(24)20(19-12)14-7-3-2-4-8-14/h2-11H,1H3,(H,18,19,24)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
RGS7


(Homo sapiens (Human))
BDBM46608
PNG
((4E)-5-methyl-4-[(3-nitroanilino)methylene]-2-phen...)
Show SMILES Cc1[n-]n(-c2ccccc2)c(=S)c1\C=[NH+]\c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H14N4O2S/c1-12-16(11-18-13-6-5-9-15(10-13)21(22)23)17(24)20(19-12)14-7-3-2-4-8-14/h2-11H,1H3,(H,18,19,24)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
G protein signalling regulator 19


(Homo sapiens (Human))
BDBM46608
PNG
((4E)-5-methyl-4-[(3-nitroanilino)methylene]-2-phen...)
Show SMILES Cc1[n-]n(-c2ccccc2)c(=S)c1\C=[NH+]\c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H14N4O2S/c1-12-16(11-18-13-6-5-9-15(10-13)21(22)23)17(24)20(19-12)14-7-3-2-4-8-14/h2-11H,1H3,(H,18,19,24)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair