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BDBM82698 1,3-benzodioxole-5-carboxylic acid [4-[[[(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-[[(5-bromanylpyridin-3-yl)carbonylhydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate::[4-[[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate::cid_1381866::piperonylic acid [4-[[(5-bromonicotinoyl)hydrazono]methyl]phenyl] ester

SMILES: Brc1cncc(c1)C(=O)NN=Cc1ccc(OC(=O)c2ccc3OCOc3c2)cc1

InChI Key: InChIKey=ZQKDKPUKDQWJIB-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 82698   
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
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens (Human))
BDBM82698
PNG
(1,3-benzodioxole-5-carboxylic acid [4-[[[(5-bromo-...)
Show SMILES Brc1cncc(c1)C(=O)NN=Cc1ccc(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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.80E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair