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BDBM74538 3-[[1,3-diketo-2-(4-nitrophenyl)isoindoline-5-carbonyl]amino]-4-methyl-benzoic acid::4-methyl-3-({[2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)benzoic acid::4-methyl-3-[[2-(4-nitrophenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoic acid::4-methyl-3-[[2-(4-nitrophenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid::4-methyl-3-[[[2-(4-nitrophenyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]amino]benzoic acid::MLS001194401::SMR000555144::cid_2867365

SMILES: Cc1ccc(cc1NC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)[N+]([O-])=O)C(O)=O

InChI Key: InChIKey=CVGHJUYFIRTXJT-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 74538   
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))
BDBM74538
PNG
(3-[[1,3-diketo-2-(4-nitrophenyl)isoindoline-5-carb...)
Show SMILES Cc1ccc(cc1NC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C23H15N3O7/c1-12-2-3-14(23(30)31)11-19(12)24-20(27)13-4-9-17-18(10-13)22(29)25(21(17)28)15-5-7-16(8-6-15)26(32)33/h2-11H,1H3,(H,24,27)(H,30,31)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a 2.16E+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)


Article DOI: 10.1038/nchembio.1629
BindingDB Entry DOI: 10.7270/Q24748BK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM74538
PNG
(3-[[1,3-diketo-2-(4-nitrophenyl)isoindoline-5-carb...)
Show SMILES Cc1ccc(cc1NC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C23H15N3O7/c1-12-2-3-14(23(30)31)11-19(12)24-20(27)13-4-9-17-18(10-13)22(29)25(21(17)28)15-5-7-16(8-6-15)26(32)33/h2-11H,1H3,(H,24,27)(H,30,31)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.50E+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
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM74538
PNG
(3-[[1,3-diketo-2-(4-nitrophenyl)isoindoline-5-carb...)
Show SMILES Cc1ccc(cc1NC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C23H15N3O7/c1-12-2-3-14(23(30)31)11-19(12)24-20(27)13-4-9-17-18(10-13)22(29)25(21(17)28)15-5-7-16(8-6-15)26(32)33/h2-11H,1H3,(H,24,27)(H,30,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.09E+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