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BDBM88791 3-nitro-4-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]benzenesulfonamide::3-nitro-4-[(N'E)-N'-[1-(2-thienyl)ethylidene]hydrazino]benzenesulfonamide::MLS001175204::SMR000595889::cid_9652363

SMILES: C[C-](\N=[NH+]\c1ccc(cc1[N+]([O-])=O)S(N)(=O)=O)c1cccs1

InChI Key: InChIKey=XIESTINJWTUZMJ-CCEZHUSRSA-O

Data: 7 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 7 hits for monomerid = 88791   
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))
BDBM88791
PNG
(3-nitro-4-[(2E)-2-(1-thiophen-2-ylethylidene)hydra...)
Show SMILES C[C-](\N=[NH+]\c1ccc(cc1[N+]([O-])=O)S(N)(=O)=O)c1cccs1
Show InChI InChI=1S/C12H11N4O4S2/c1-8(12-3-2-6-21-12)14-15-10-5-4-9(22(13,19)20)7-11(10)16(17)18/h2-7H,1H3,(H2,13,19,20)/q-1/p+1/b15-14+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.39E+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/Q2DV1HGT
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM88791
PNG
(3-nitro-4-[(2E)-2-(1-thiophen-2-ylethylidene)hydra...)
Show SMILES C[C-](\N=[NH+]\c1ccc(cc1[N+]([O-])=O)S(N)(=O)=O)c1cccs1
Show InChI InChI=1S/C12H11N4O4S2/c1-8(12-3-2-6-21-12)14-15-10-5-4-9(22(13,19)20)7-11(10)16(17)18/h2-7H,1H3,(H2,13,19,20)/q-1/p+1/b15-14+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.04E+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))
BDBM88791
PNG
(3-nitro-4-[(2E)-2-(1-thiophen-2-ylethylidene)hydra...)
Show SMILES C[C-](\N=[NH+]\c1ccc(cc1[N+]([O-])=O)S(N)(=O)=O)c1cccs1
Show InChI InChI=1S/C12H11N4O4S2/c1-8(12-3-2-6-21-12)14-15-10-5-4-9(22(13,19)20)7-11(10)16(17)18/h2-7H,1H3,(H2,13,19,20)/q-1/p+1/b15-14+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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UniChem

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PCBioAssay
n/an/a 2.13E+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
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM88791
PNG
(3-nitro-4-[(2E)-2-(1-thiophen-2-ylethylidene)hydra...)
Show SMILES C[C-](\N=[NH+]\c1ccc(cc1[N+]([O-])=O)S(N)(=O)=O)c1cccs1
Show InChI InChI=1S/C12H11N4O4S2/c1-8(12-3-2-6-21-12)14-15-10-5-4-9(22(13,19)20)7-11(10)16(17)18/h2-7H,1H3,(H2,13,19,20)/q-1/p+1/b15-14+
PDB

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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
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM88791
PNG
(3-nitro-4-[(2E)-2-(1-thiophen-2-ylethylidene)hydra...)
Show SMILES C[C-](\N=[NH+]\c1ccc(cc1[N+]([O-])=O)S(N)(=O)=O)c1cccs1
Show InChI InChI=1S/C12H11N4O4S2/c1-8(12-3-2-6-21-12)14-15-10-5-4-9(22(13,19)20)7-11(10)16(17)18/h2-7H,1H3,(H2,13,19,20)/q-1/p+1/b15-14+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.13E+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))
BDBM88791
PNG
(3-nitro-4-[(2E)-2-(1-thiophen-2-ylethylidene)hydra...)
Show SMILES C[C-](\N=[NH+]\c1ccc(cc1[N+]([O-])=O)S(N)(=O)=O)c1cccs1
Show InChI InChI=1S/C12H11N4O4S2/c1-8(12-3-2-6-21-12)14-15-10-5-4-9(22(13,19)20)7-11(10)16(17)18/h2-7H,1H3,(H2,13,19,20)/q-1/p+1/b15-14+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.82E+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 5 isoform a


(Homo sapiens (Human))
BDBM88791
PNG
(3-nitro-4-[(2E)-2-(1-thiophen-2-ylethylidene)hydra...)
Show SMILES C[C-](\N=[NH+]\c1ccc(cc1[N+]([O-])=O)S(N)(=O)=O)c1cccs1
Show InChI InChI=1S/C12H11N4O4S2/c1-8(12-3-2-6-21-12)14-15-10-5-4-9(22(13,19)20)7-11(10)16(17)18/h2-7H,1H3,(H2,13,19,20)/q-1/p+1/b15-14+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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


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