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BDBM80786 5-(2,5-difluorophenyl)-N-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-amine::5-[2,5-bis(fluoranyl)phenyl]-N-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-amine::MLS000390436::SMR000255403::[5-(2,5-difluorophenyl)-6H-1,3,4-thiadiazin-2-yl]-(4-fluorophenyl)amine::cid_8968424

SMILES: Fc1ccc(NC2=NN=C(CS2)c2cc(F)ccc2F)cc1

InChI Key: InChIKey=FWMMJXAXTDSXGW-UHFFFAOYSA-N

Data: 2 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 = 80786   
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
Hexokinase type I


(Homo sapiens)
BDBM80786
PNG
(5-(2,5-difluorophenyl)-N-(4-fluorophenyl)-6H-1,3,4...)
Show SMILES Fc1ccc(NC2=NN=C(CS2)c2cc(F)ccc2F)cc1
Show InChI InChI=1S/C15H10F3N3S/c16-9-1-4-11(5-2-9)19-15-21-20-14(8-22-15)12-7-10(17)3-6-13(12)18/h1-7H,8H2,(H,19,21)
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 2.89E+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)
BDBM80786
PNG
(5-(2,5-difluorophenyl)-N-(4-fluorophenyl)-6H-1,3,4...)
Show SMILES Fc1ccc(NC2=NN=C(CS2)c2cc(F)ccc2F)cc1
Show InChI InChI=1S/C15H10F3N3S/c16-9-1-4-11(5-2-9)19-15-21-20-14(8-22-15)12-7-10(17)3-6-13(12)18/h1-7H,8H2,(H,19,21)
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 3.57E+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