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BDBM54790 MLS000698624::N'-(1,3-benzodioxol-5-ylmethylene)-2-(4-pyridinyl)-4-quinolinecarbohydrazide::N-(1,3-benzodioxol-5-ylmethylideneamino)-2-pyridin-4-yl-4-quinolinecarboxamide::N-(1,3-benzodioxol-5-ylmethylideneamino)-2-pyridin-4-yl-quinoline-4-carboxamide::N-(1,3-benzodioxol-5-ylmethylideneamino)-2-pyridin-4-ylquinoline-4-carboxamide::N-(piperonylideneamino)-2-(4-pyridyl)cinchoninamide::SMR000228182::cid_999332

SMILES: O=C(NN=Cc1ccc2OCOc2c1)c1cc(nc2ccccc12)-c1ccncc1

InChI Key: InChIKey=MSNRYQLOMIQMBP-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 54790   
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
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM54790
PNG
(MLS000698624 | N'-(1,3-benzodioxol-5-ylmethyle...)
Show SMILES O=C(NN=Cc1ccc2OCOc2c1)c1cc(nc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C23H16N4O3/c28-23(27-25-13-15-5-6-21-22(11-15)30-14-29-21)18-12-20(16-7-9-24-10-8-16)26-19-4-2-1-3-17(18)19/h1-13H,14H2,(H,27,28)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
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PC sid
UniChem

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PCBioAssay
n/an/a 9.90E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2GQ6W6X
More data for this
Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM54790
PNG
(MLS000698624 | N'-(1,3-benzodioxol-5-ylmethyle...)
Show SMILES O=C(NN=Cc1ccc2OCOc2c1)c1cc(nc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C23H16N4O3/c28-23(27-25-13-15-5-6-21-22(11-15)30-14-29-21)18-12-20(16-7-9-24-10-8-16)26-19-4-2-1-3-17(18)19/h1-13H,14H2,(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 9.90E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2VM49Q7
More data for this
Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM54790
PNG
(MLS000698624 | N'-(1,3-benzodioxol-5-ylmethyle...)
Show SMILES O=C(NN=Cc1ccc2OCOc2c1)c1cc(nc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C23H16N4O3/c28-23(27-25-13-15-5-6-21-22(11-15)30-14-29-21)18-12-20(16-7-9-24-10-8-16)26-19-4-2-1-3-17(18)19/h1-13H,14H2,(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

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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
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM54790
PNG
(MLS000698624 | N'-(1,3-benzodioxol-5-ylmethyle...)
Show SMILES O=C(NN=Cc1ccc2OCOc2c1)c1cc(nc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C23H16N4O3/c28-23(27-25-13-15-5-6-21-22(11-15)30-14-29-21)18-12-20(16-7-9-24-10-8-16)26-19-4-2-1-3-17(18)19/h1-13H,14H2,(H,27,28)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM54790
PNG
(MLS000698624 | N'-(1,3-benzodioxol-5-ylmethyle...)
Show SMILES O=C(NN=Cc1ccc2OCOc2c1)c1cc(nc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C23H16N4O3/c28-23(27-25-13-15-5-6-21-22(11-15)30-14-29-21)18-12-20(16-7-9-24-10-8-16)26-19-4-2-1-3-17(18)19/h1-13H,14H2,(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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