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BDBM94887 1,3-benzodioxole-5-carboxylic acid [4-[(E)-[[(5-bromo-3-pyridinyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester::4-{2-[(5-bromo-3-pyridinyl)carbonyl]carbonohydrazonoyl}phenyl 1,3-benzodioxole-5-carboxylate::MLS000573024::SMR000184953::[4-[(E)-[(5-bromanylpyridin-3-yl)carbonylhydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate::[4-[(E)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate::cid_6898925::piperonylic acid [4-[(E)-[(5-bromonicotinoyl)hydrazono]methyl]phenyl] ester

SMILES: Brc1cncc(c1)C(=O)N\N=C\c1ccc(OC(=O)c2ccc3OCOc3c2)cc1

InChI Key: InChIKey=ZQKDKPUKDQWJIB-PGGKNCGUSA-N

Data: 2 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 2 hits for monomerid = 94887   
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
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM94887
PNG
(1,3-benzodioxole-5-carboxylic acid [4-[(E)-[[(5-br...)
Show SMILES Brc1cncc(c1)C(=O)N\N=C\c1ccc(OC(=O)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C21H14BrN3O5/c22-16-7-15(10-23-11-16)20(26)25-24-9-13-1-4-17(5-2-13)30-21(27)14-3-6-18-19(8-14)29-12-28-18/h1-11H,12H2,(H,25,26)/b24-9+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

n/an/a 6.29E+3n/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 (LMWPTP)


(Homo sapiens (Human))
BDBM94887
PNG
(1,3-benzodioxole-5-carboxylic acid [4-[(E)-[[(5-br...)
Show SMILES Brc1cncc(c1)C(=O)N\N=C\c1ccc(OC(=O)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C21H14BrN3O5/c22-16-7-15(10-23-11-16)20(26)25-24-9-13-1-4-17(5-2-13)30-21(27)14-3-6-18-19(8-14)29-12-28-18/h1-11H,12H2,(H,25,26)/b24-9+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 1.82E+3n/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