BindingDB logo
myBDB logout

BDBM80787 5-(2-fluorophenyl)-N-(2-methylphenyl)-6H-1,3,4-thiadiazin-2-amine::MLS000391095::SMR000260132::[5-(2-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl]-(o-tolyl)amine::cid_5147972

SMILES: Cc1ccccc1NC1=NN=C(CS1)c1ccccc1F

InChI Key: InChIKey=SVSVLBHIFZWSRG-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 = 80787   
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
putative hexokinase HKDC1


(Homo sapiens)
BDBM80787
PNG
(5-(2-fluorophenyl)-N-(2-methylphenyl)-6H-1,3,4-thi...)
Show SMILES Cc1ccccc1NC1=NN=C(CS1)c1ccccc1F
Show InChI InChI=1S/C16H14FN3S/c1-11-6-2-5-9-14(11)18-16-20-19-15(10-21-16)12-7-3-4-8-13(12)17/h2-9H,10H2,1H3,(H,18,20)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 2.70E+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
Hexokinase type I


(Homo sapiens)
BDBM80787
PNG
(5-(2-fluorophenyl)-N-(2-methylphenyl)-6H-1,3,4-thi...)
Show SMILES Cc1ccccc1NC1=NN=C(CS1)c1ccccc1F
Show InChI InChI=1S/C16H14FN3S/c1-11-6-2-5-9-14(11)18-16-20-19-15(10-21-16)12-7-3-4-8-13(12)17/h2-9H,10H2,1H3,(H,18,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 5.32E+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