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BDBM80799 3-[[5-(2-methoxyphenyl)-6H-1,3,4-thiadiazin-2-yl]amino]-N,N-dimethyl-benzenesulfonamide::3-[[5-(2-methoxyphenyl)-6H-1,3,4-thiadiazin-2-yl]amino]-N,N-dimethylbenzenesulfonamide::MLS000774989::SMR000364573::cid_4883712

SMILES: COc1ccccc1C1=NN=C(Nc2cccc(c2)S(=O)(=O)N(C)C)SC1

InChI Key: InChIKey=BQTYJWNGTJFGHA-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 = 80799   
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)
BDBM80799
PNG
(3-[[5-(2-methoxyphenyl)-6H-1,3,4-thiadiazin-2-yl]a...)
Show SMILES COc1ccccc1C1=NN=C(Nc2cccc(c2)S(=O)(=O)N(C)C)SC1
Show InChI InChI=1S/C18H20N4O3S2/c1-22(2)27(23,24)14-8-6-7-13(11-14)19-18-21-20-16(12-26-18)15-9-4-5-10-17(15)25-3/h4-11H,12H2,1-3H3,(H,19,21)
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PC cid
PC sid
UniChem

Similars

n/an/an/an/a 1.95E+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)
BDBM80799
PNG
(3-[[5-(2-methoxyphenyl)-6H-1,3,4-thiadiazin-2-yl]a...)
Show SMILES COc1ccccc1C1=NN=C(Nc2cccc(c2)S(=O)(=O)N(C)C)SC1
Show InChI InChI=1S/C18H20N4O3S2/c1-22(2)27(23,24)14-8-6-7-13(11-14)19-18-21-20-16(12-26-18)15-9-4-5-10-17(15)25-3/h4-11H,12H2,1-3H3,(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 2.01E+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