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BDBM66059 4-fluoranyl-N-[(pyrazin-2-ylcarbonylamino)carbamothioyl]benzamide::4-fluoro-N-[(pyrazine-2-carbonylamino)carbamothioyl]benzamide::4-fluoro-N-[(pyrazinoylamino)thiocarbamoyl]benzamide::4-fluoro-N-[[[oxo(2-pyrazinyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide::4-fluoro-N-{[2-(2-pyrazinylcarbonyl)hydrazino]carbonothioyl}benzamide::MLS000664047::SMR000295102::cid_1881345

SMILES: Fc1ccc(cc1)C(=O)NC(=S)NNC(=O)c1cnccn1

InChI Key: InChIKey=RAPSJUMZFUHTDD-UHFFFAOYSA-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 = 66059   
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
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM66059
PNG
(4-fluoranyl-N-[(pyrazin-2-ylcarbonylamino)carbamot...)
Show SMILES Fc1ccc(cc1)C(=O)NC(=S)NNC(=O)c1cnccn1
Show InChI InChI=1S/C13H10FN5O2S/c14-9-3-1-8(2-4-9)11(20)17-13(22)19-18-12(21)10-7-15-5-6-16-10/h1-7H,(H,18,21)(H2,17,19,20,22)
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 7.94E+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-1


(Homo sapiens (Human))
BDBM66059
PNG
(4-fluoranyl-N-[(pyrazin-2-ylcarbonylamino)carbamot...)
Show SMILES Fc1ccc(cc1)C(=O)NC(=S)NNC(=O)c1cnccn1
Show InChI InChI=1S/C13H10FN5O2S/c14-9-3-1-8(2-4-9)11(20)17-13(22)19-18-12(21)10-7-15-5-6-16-10/h1-7H,(H,18,21)(H2,17,19,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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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
Hexokinase HKDC1 [W721R]


(Homo sapiens (Human))
BDBM66059
PNG
(4-fluoranyl-N-[(pyrazin-2-ylcarbonylamino)carbamot...)
Show SMILES Fc1ccc(cc1)C(=O)NC(=S)NNC(=O)c1cnccn1
Show InChI InChI=1S/C13H10FN5O2S/c14-9-3-1-8(2-4-9)11(20)17-13(22)19-18-12(21)10-7-15-5-6-16-10/h1-7H,(H,18,21)(H2,17,19,20,22)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.45E+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/Q2R78CQV
More data for this
Ligand-Target Pair