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BDBM66066 (E)-3-(4-Methoxy-phenyl)-N-[N'-(pyrazine-2-carbonyl)-hydrazinocarbothioyl]-acrylamide::(E)-3-(4-methoxyphenyl)-N-[(pyrazin-2-ylcarbonylamino)carbamothioyl]prop-2-enamide::(E)-3-(4-methoxyphenyl)-N-[(pyrazine-2-carbonylamino)carbamothioyl]prop-2-enamide::(E)-3-(4-methoxyphenyl)-N-[(pyrazinoylamino)thiocarbamoyl]acrylamide::(E)-3-(4-methoxyphenyl)-N-[[[oxo(2-pyrazinyl)methyl]hydrazo]-sulfanylidenemethyl]-2-propenamide::MLS000769398::SMR000434132::cid_1874139

SMILES: COc1ccc(\C=C\C(=O)NC(=S)NNC(=O)c2cnccn2)cc1

InChI Key: InChIKey=KWKVFWKBZXFKCV-QPJJXVBHSA-N

Data: 3 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 3 hits for monomerid = 66066   
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
LAP4


(Saccharomyces cerevisiae)
BDBM66066
PNG
((E)-3-(4-Methoxy-phenyl)-N-[N'-(pyrazine-2-car...)
Show SMILES COc1ccc(\C=C\C(=O)NC(=S)NNC(=O)c2cnccn2)cc1
Show InChI InChI=1S/C16H15N5O3S/c1-24-12-5-2-11(3-6-12)4-7-14(22)19-16(25)21-20-15(23)13-10-17-8-9-18-13/h2-10H,1H3,(H,20,23)(H2,19,21,22,25)/b7-4+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.31E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Hexokinase type I


(Homo sapiens (Human))
BDBM66066
PNG
((E)-3-(4-Methoxy-phenyl)-N-[N'-(pyrazine-2-car...)
Show SMILES COc1ccc(\C=C\C(=O)NC(=S)NNC(=O)c2cnccn2)cc1
Show InChI InChI=1S/C16H15N5O3S/c1-24-12-5-2-11(3-6-12)4-7-14(22)19-16(25)21-20-15(23)13-10-17-8-9-18-13/h2-10H,1H3,(H,20,23)(H2,19,21,22,25)/b7-4+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a>8.00E+4n/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/Q2765CSM
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens (Human))
BDBM66066
PNG
((E)-3-(4-Methoxy-phenyl)-N-[N'-(pyrazine-2-car...)
Show SMILES COc1ccc(\C=C\C(=O)NC(=S)NNC(=O)c2cnccn2)cc1
Show InChI InChI=1S/C16H15N5O3S/c1-24-12-5-2-11(3-6-12)4-7-14(22)19-16(25)21-20-15(23)13-10-17-8-9-18-13/h2-10H,1H3,(H,20,23)(H2,19,21,22,25)/b7-4+
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PCBioAssay
n/an/an/an/a 2.23E+3n/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)


Article DOI: 10.1021/bi500561h
BindingDB Entry DOI: 10.7270/Q2R78CQV
More data for this
Ligand-Target Pair