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BDBM57988 (2-fluorophenyl)-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)amine::MLS000772525::N-(2-fluorophenyl)-5-phenyl-6H-1,3,4-thiadiazin-2-amine::SMR000377241::cid_5020681

SMILES: Fc1ccccc1NC1=NN=C(CS1)c1ccccc1

InChI Key: InChIKey=QTUKEQREUWREAO-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 = 57988   
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
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM57988
PNG
((2-fluorophenyl)-(5-phenyl-6H-1,3,4-thiadiazin-2-y...)
Show SMILES Fc1ccccc1NC1=NN=C(CS1)c1ccccc1
Show InChI InChI=1S/C15H12FN3S/c16-12-8-4-5-9-13(12)17-15-19-18-14(10-20-15)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
Hexokinase type I


(Homo sapiens)
BDBM57988
PNG
((2-fluorophenyl)-(5-phenyl-6H-1,3,4-thiadiazin-2-y...)
Show SMILES Fc1ccccc1NC1=NN=C(CS1)c1ccccc1
Show InChI InChI=1S/C15H12FN3S/c16-12-8-4-5-9-13(12)17-15-19-18-14(10-20-15)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 2.97E+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)
BDBM57988
PNG
((2-fluorophenyl)-(5-phenyl-6H-1,3,4-thiadiazin-2-y...)
Show SMILES Fc1ccccc1NC1=NN=C(CS1)c1ccccc1
Show InChI InChI=1S/C15H12FN3S/c16-12-8-4-5-9-13(12)17-15-19-18-14(10-20-15)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,19)
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 2.02E+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