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BDBM63836 Isonicotinic acid [(E)-3-benzo[1,3]dioxol-5-yl-1-methyl-prop-2-en-(Z)-ylidene]-hydrazide::MLS000768521::N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)-1-methyl-prop-2-enylidene]amino]isonicotinamide::N-[[(E)-3-(1,3-benzodioxol-5-yl)-1-methyl-prop-2-enylidene]amino]isonicotinamide::N-[[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]amino]-4-pyridinecarboxamide::N-[[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]amino]pyridine-4-carboxamide::SMR000431854::cid_871065

SMILES: CC(C=Cc1ccc2OCOc2c1)=NNC(=O)c1ccncc1

InChI Key: InChIKey=WXPVHXJUELQPNG-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 63836   
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
MSRA protein


(Bos taurus)
BDBM63836
PNG
(Isonicotinic acid [(E)-3-benzo[1,3]dioxol-5-yl-1-m...)
Show SMILES CC(C=Cc1ccc2OCOc2c1)=NNC(=O)c1ccncc1 |w:13.15,3.3|
Show InChI InChI=1S/C17H15N3O3/c1-12(19-20-17(21)14-6-8-18-9-7-14)2-3-13-4-5-15-16(10-13)23-11-22-15/h2-10H,11H2,1H3,(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.17E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2639NCQ
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM63836
PNG
(Isonicotinic acid [(E)-3-benzo[1,3]dioxol-5-yl-1-m...)
Show SMILES CC(C=Cc1ccc2OCOc2c1)=NNC(=O)c1ccncc1 |w:13.15,3.3|
Show InChI InChI=1S/C17H15N3O3/c1-12(19-20-17(21)14-6-8-18-9-7-14)2-3-13-4-5-15-16(10-13)23-11-22-15/h2-10H,11H2,1H3,(H,20,21)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.55E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair