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BDBM88739 MLS000704210::N'-[(5-bromo-2-thienyl)methylene]-3-nitrobenzohydrazide::N-[(E)-(5-bromanylthiophen-2-yl)methylideneamino]-3-nitro-benzamide::N-[(E)-(5-bromo-2-thienyl)methyleneamino]-3-nitro-benzamide::N-[(E)-(5-bromo-2-thiophenyl)methylideneamino]-3-nitrobenzamide::N-[(E)-(5-bromothiophen-2-yl)methylideneamino]-3-nitrobenzamide::SMR000227120::cid_6872971

SMILES: [O-][N+](=O)c1cccc(c1)C(=O)N\N=C\c1ccc(Br)s1

InChI Key: InChIKey=NPMWGRLXMPLNMQ-VGOFMYFVSA-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 = 88739   
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
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM88739
PNG
(MLS000704210 | N'-[(5-bromo-2-thienyl)methylen...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)N\N=C\c1ccc(Br)s1
Show InChI InChI=1S/C12H8BrN3O3S/c13-11-5-4-10(20-11)7-14-15-12(17)8-2-1-3-9(6-8)16(18)19/h1-7H,(H,15,17)/b14-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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UniChem

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PCBioAssay
n/an/a 7.95E+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))
BDBM88739
PNG
(MLS000704210 | N'-[(5-bromo-2-thienyl)methylen...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)N\N=C\c1ccc(Br)s1
Show InChI InChI=1S/C12H8BrN3O3S/c13-11-5-4-10(20-11)7-14-15-12(17)8-2-1-3-9(6-8)16(18)19/h1-7H,(H,15,17)/b14-7+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 3.40E+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
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM88739
PNG
(MLS000704210 | N'-[(5-bromo-2-thienyl)methylen...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)N\N=C\c1ccc(Br)s1
Show InChI InChI=1S/C12H8BrN3O3S/c13-11-5-4-10(20-11)7-14-15-12(17)8-2-1-3-9(6-8)16(18)19/h1-7H,(H,15,17)/b14-7+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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n/an/a 2.15E+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
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM88739
PNG
(MLS000704210 | N'-[(5-bromo-2-thienyl)methylen...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)N\N=C\c1ccc(Br)s1
Show InChI InChI=1S/C12H8BrN3O3S/c13-11-5-4-10(20-11)7-14-15-12(17)8-2-1-3-9(6-8)16(18)19/h1-7H,(H,15,17)/b14-7+
PDB

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n/an/a 1.82E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM88739
PNG
(MLS000704210 | N'-[(5-bromo-2-thienyl)methylen...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)N\N=C\c1ccc(Br)s1
Show InChI InChI=1S/C12H8BrN3O3S/c13-11-5-4-10(20-11)7-14-15-12(17)8-2-1-3-9(6-8)16(18)19/h1-7H,(H,15,17)/b14-7+
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 6.49E+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/Q2FQ9V6B
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM88739
PNG
(MLS000704210 | N'-[(5-bromo-2-thienyl)methylen...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)N\N=C\c1ccc(Br)s1
Show InChI InChI=1S/C12H8BrN3O3S/c13-11-5-4-10(20-11)7-14-15-12(17)8-2-1-3-9(6-8)16(18)19/h1-7H,(H,15,17)/b14-7+
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem

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PCBioAssay
n/an/a 9.56E+3n/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
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM88739
PNG
(MLS000704210 | N'-[(5-bromo-2-thienyl)methylen...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)N\N=C\c1ccc(Br)s1
Show InChI InChI=1S/C12H8BrN3O3S/c13-11-5-4-10(20-11)7-14-15-12(17)8-2-1-3-9(6-8)16(18)19/h1-7H,(H,15,17)/b14-7+
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem

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PCBioAssay
n/an/a 9.20E+3n/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))
BDBM88739
PNG
(MLS000704210 | N'-[(5-bromo-2-thienyl)methylen...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)N\N=C\c1ccc(Br)s1
Show InChI InChI=1S/C12H8BrN3O3S/c13-11-5-4-10(20-11)7-14-15-12(17)8-2-1-3-9(6-8)16(18)19/h1-7H,(H,15,17)/b14-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.49E+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