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BDBM74525 4-(3-{[[(2E)-2-(1,3-benzodioxol-5-ylmethylene)hydrazino](imino)methyl]thio}-2,5-dioxopyrrolidin-1-yl)benzoic acid::4-[2,5-diketo-3-[[N'-(piperonylideneamino)amidino]thio]pyrrolidino]benzoic acid::4-[3-[N'-(1,3-benzodioxol-5-ylmethylideneamino)carbamimidoyl]sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid::4-[3-[N'-(1,3-benzodioxol-5-ylmethylideneamino)carbamimidoyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoic acid::4-[3-[[amino-(1,3-benzodioxol-5-ylmethylidenehydrazinylidene)methyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid::MLS000689648::SMR000312892::cid_3848047

SMILES: OC(=O)c1ccc(cc1)-n1c(O)cc(SC(=N)NN=Cc2ccc3OCOc3c2)c1O

InChI Key: InChIKey=OMIHMEIEDBIBJR-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 = 74525   
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))
BDBM74525
PNG
(4-(3-{[[(2E)-2-(1,3-benzodioxol-5-ylmethylene)hydr...)
Show SMILES OC(=O)c1ccc(cc1)-n1c(O)cc(SC(=N)NN=Cc2ccc3OCOc3c2)c1O |w:18.18|
Show InChI InChI=1S/C20H16N4O6S/c21-20(23-22-9-11-1-6-14-15(7-11)30-10-29-14)31-16-8-17(25)24(18(16)26)13-4-2-12(3-5-13)19(27)28/h1-9,25-26H,10H2,(H2,21,23)(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a 7.65E+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, ...


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))
BDBM74525
PNG
(4-(3-{[[(2E)-2-(1,3-benzodioxol-5-ylmethylene)hydr...)
Show SMILES OC(=O)c1ccc(cc1)-n1c(O)cc(SC(=N)NN=Cc2ccc3OCOc3c2)c1O |w:18.18|
Show InChI InChI=1S/C20H16N4O6S/c21-20(23-22-9-11-1-6-14-15(7-11)30-10-29-14)31-16-8-17(25)24(18(16)26)13-4-2-12(3-5-13)19(27)28/h1-9,25-26H,10H2,(H2,21,23)(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 8.58E+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, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RTC
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM74525
PNG
(4-(3-{[[(2E)-2-(1,3-benzodioxol-5-ylmethylene)hydr...)
Show SMILES OC(=O)c1ccc(cc1)-n1c(O)cc(SC(=N)NN=Cc2ccc3OCOc3c2)c1O |w:18.18|
Show InChI InChI=1S/C20H16N4O6S/c21-20(23-22-9-11-1-6-14-15(7-11)30-10-29-14)31-16-8-17(25)24(18(16)26)13-4-2-12(3-5-13)19(27)28/h1-9,25-26H,10H2,(H2,21,23)(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 7.33E+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 (2010)


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