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SMILES: Cc1ccc(NC(=O)COC(=O)c2cc(nn2-c2ccccc2)-c2cccs2)cc1[N+]([O-])=O

InChI Key: InChIKey=CUKBTMZGDDCAOA-UHFFFAOYSA-N

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 3 hits for monomerid = 74494   
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 22


(Homo sapiens (Human))
BDBM74494
PNG
(2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid [...)
Show SMILES Cc1ccc(NC(=O)COC(=O)c2cc(nn2-c2ccccc2)-c2cccs2)cc1[N+]([O-])=O
Show InChI InChI=1S/C23H18N4O5S/c1-15-9-10-16(12-19(15)27(30)31)24-22(28)14-32-23(29)20-13-18(21-8-5-11-33-21)25-26(20)17-6-3-2-4-7-17/h2-13H,14H2,1H3,(H,24,28)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>7.94E+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, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24748BK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM74494
PNG
(2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid [...)
Show SMILES Cc1ccc(NC(=O)COC(=O)c2cc(nn2-c2ccccc2)-c2cccs2)cc1[N+]([O-])=O
Show InChI InChI=1S/C23H18N4O5S/c1-15-9-10-16(12-19(15)27(30)31)24-22(28)14-32-23(29)20-13-18(21-8-5-11-33-21)25-26(20)17-6-3-2-4-7-17/h2-13H,14H2,1H3,(H,24,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>7.94E+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, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RTC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7


(Homo sapiens (Human))
BDBM74494
PNG
(2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid [...)
Show SMILES Cc1ccc(NC(=O)COC(=O)c2cc(nn2-c2ccccc2)-c2cccs2)cc1[N+]([O-])=O
Show InChI InChI=1S/C23H18N4O5S/c1-15-9-10-16(12-19(15)27(30)31)24-22(28)14-32-23(29)20-13-18(21-8-5-11-33-21)25-26(20)17-6-3-2-4-7-17/h2-13H,14H2,1H3,(H,24,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>7.94E+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)


BindingDB Entry DOI: 10.7270/Q2VQ314Z
More data for this
Ligand-Target Pair