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BDBM94904 Benzo[1,3]dioxole-5-carboxylic acid [3-(4-bromo-phenyl)-allylidene]-hydrazide::MLS001218978::N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-1,3-benzodioxole-5-carboxamide::N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-piperonylamide::SMR000608100::cid_5799507

SMILES: Brc1ccc(\C=C\C=N/NC(=O)c2ccc3OCOc3c2)cc1

InChI Key: InChIKey=HLAUOCIWPZYJNQ-LCUBDLGASA-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 = 94904   
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


(Homo sapiens (Human))
BDBM94904
PNG
(Benzo[1,3]dioxole-5-carboxylic acid [3-(4-bromo-ph...)
Show SMILES Brc1ccc(\C=C\C=N/NC(=O)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C17H13BrN2O3/c18-14-6-3-12(4-7-14)2-1-9-19-20-17(21)13-5-8-15-16(10-13)23-11-22-15/h1-10H,11H2,(H,20,21)/b2-1+,19-9-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.16E+4n/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
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM94904
PNG
(Benzo[1,3]dioxole-5-carboxylic acid [3-(4-bromo-ph...)
Show SMILES Brc1ccc(\C=C\C=N/NC(=O)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C17H13BrN2O3/c18-14-6-3-12(4-7-14)2-1-9-19-20-17(21)13-5-8-15-16(10-13)23-11-22-15/h1-10H,11H2,(H,20,21)/b2-1+,19-9-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.35E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM94904
PNG
(Benzo[1,3]dioxole-5-carboxylic acid [3-(4-bromo-ph...)
Show SMILES Brc1ccc(\C=C\C=N/NC(=O)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C17H13BrN2O3/c18-14-6-3-12(4-7-14)2-1-9-19-20-17(21)13-5-8-15-16(10-13)23-11-22-15/h1-10H,11H2,(H,20,21)/b2-1+,19-9-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.43E+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