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BDBM88727 2-thiophenecarboxylic acid [4-[(E)-[[(3-fluorophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester::4-[2-(3-fluorobenzoyl)carbonohydrazonoyl]phenyl 2-thiophenecarboxylate::MLS000576933::SMR000185411::[4-[(E)-[(3-fluorobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate::[4-[(E)-[(3-fluorophenyl)carbonylhydrazinylidene]methyl]phenyl] thiophene-2-carboxylate::cid_5332668::thiophene-2-carboxylic acid [4-[(E)-[(3-fluorobenzoyl)hydrazono]methyl]phenyl] ester

SMILES: Fc1cccc(c1)C(=O)N\N=C\c1ccc(OC(=O)c2cccs2)cc1

InChI Key: InChIKey=QSGQMJVNIWXXLE-CIAFOILYSA-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 = 88727   
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))
BDBM88727
PNG
(2-thiophenecarboxylic acid [4-[(E)-[[(3-fluorophen...)
Show SMILES Fc1cccc(c1)C(=O)N\N=C\c1ccc(OC(=O)c2cccs2)cc1
Show InChI InChI=1S/C19H13FN2O3S/c20-15-4-1-3-14(11-15)18(23)22-21-12-13-6-8-16(9-7-13)25-19(24)17-5-2-10-26-17/h1-12H,(H,22,23)/b21-12+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 9.39E+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))
BDBM88727
PNG
(2-thiophenecarboxylic acid [4-[(E)-[[(3-fluorophen...)
Show SMILES Fc1cccc(c1)C(=O)N\N=C\c1ccc(OC(=O)c2cccs2)cc1
Show InChI InChI=1S/C19H13FN2O3S/c20-15-4-1-3-14(11-15)18(23)22-21-12-13-6-8-16(9-7-13)25-19(24)17-5-2-10-26-17/h1-12H,(H,22,23)/b21-12+
PDB
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KEGG

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n/an/a 2.45E+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))
BDBM88727
PNG
(2-thiophenecarboxylic acid [4-[(E)-[[(3-fluorophen...)
Show SMILES Fc1cccc(c1)C(=O)N\N=C\c1ccc(OC(=O)c2cccs2)cc1
Show InChI InChI=1S/C19H13FN2O3S/c20-15-4-1-3-14(11-15)18(23)22-21-12-13-6-8-16(9-7-13)25-19(24)17-5-2-10-26-17/h1-12H,(H,22,23)/b21-12+
PDB
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NCI pathway
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n/an/a 1.37E+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))
BDBM88727
PNG
(2-thiophenecarboxylic acid [4-[(E)-[[(3-fluorophen...)
Show SMILES Fc1cccc(c1)C(=O)N\N=C\c1ccc(OC(=O)c2cccs2)cc1
Show InChI InChI=1S/C19H13FN2O3S/c20-15-4-1-3-14(11-15)18(23)22-21-12-13-6-8-16(9-7-13)25-19(24)17-5-2-10-26-17/h1-12H,(H,22,23)/b21-12+
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n/an/a 2.49E+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
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM88727
PNG
(2-thiophenecarboxylic acid [4-[(E)-[[(3-fluorophen...)
Show SMILES Fc1cccc(c1)C(=O)N\N=C\c1ccc(OC(=O)c2cccs2)cc1
Show InChI InChI=1S/C19H13FN2O3S/c20-15-4-1-3-14(11-15)18(23)22-21-12-13-6-8-16(9-7-13)25-19(24)17-5-2-10-26-17/h1-12H,(H,22,23)/b21-12+
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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UniChem

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PCBioAssay
n/an/a 2.55E+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))
BDBM88727
PNG
(2-thiophenecarboxylic acid [4-[(E)-[[(3-fluorophen...)
Show SMILES Fc1cccc(c1)C(=O)N\N=C\c1ccc(OC(=O)c2cccs2)cc1
Show InChI InChI=1S/C19H13FN2O3S/c20-15-4-1-3-14(11-15)18(23)22-21-12-13-6-8-16(9-7-13)25-19(24)17-5-2-10-26-17/h1-12H,(H,22,23)/b21-12+
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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))
BDBM88727
PNG
(2-thiophenecarboxylic acid [4-[(E)-[[(3-fluorophen...)
Show SMILES Fc1cccc(c1)C(=O)N\N=C\c1ccc(OC(=O)c2cccs2)cc1
Show InChI InChI=1S/C19H13FN2O3S/c20-15-4-1-3-14(11-15)18(23)22-21-12-13-6-8-16(9-7-13)25-19(24)17-5-2-10-26-17/h1-12H,(H,22,23)/b21-12+
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n/an/a 1.72E+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))
BDBM88727
PNG
(2-thiophenecarboxylic acid [4-[(E)-[[(3-fluorophen...)
Show SMILES Fc1cccc(c1)C(=O)N\N=C\c1ccc(OC(=O)c2cccs2)cc1
Show InChI InChI=1S/C19H13FN2O3S/c20-15-4-1-3-14(11-15)18(23)22-21-12-13-6-8-16(9-7-13)25-19(24)17-5-2-10-26-17/h1-12H,(H,22,23)/b21-12+
PDB

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antibodypedia
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UniChem

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PCBioAssay
n/an/a 1.12E+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