null

SMILES: COc1ccc(C2=NN=C(Nc3cc(ccc3C)S(=O)(=O)N(C)C)SC2)c(OC)c1

InChI Key: InChIKey=BUBNWPQQSXLHOK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 80798   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Hexokinase-1 (Homo sapiens (Human))	BDBM80798 (3-[[5-(2,4-dimethoxyphenyl)-6H-1,3,4-thiadiazin-2-...) Show SMILES COc1ccc(C2=NN=C(Nc3cc(ccc3C)S(=O)(=O)N(C)C)SC2)c(OC)c1 |t:6,8| Show InChI InChI=1S/C20H24N4O4S2/c1-13-6-8-15(30(25,26)24(2)3)11-17(13)21-20-23-22-18(12-29-20)16-9-7-14(27-4)10-19(16)28-5/h6-11H,12H2,1-5H3,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.74E+4	n/a	n/a	n/a	n/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))	BDBM80798 (3-[[5-(2,4-dimethoxyphenyl)-6H-1,3,4-thiadiazin-2-...) Show SMILES COc1ccc(C2=NN=C(Nc3cc(ccc3C)S(=O)(=O)N(C)C)SC2)c(OC)c1 |t:6,8| Show InChI InChI=1S/C20H24N4O4S2/c1-13-6-8-15(30(25,26)24(2)3)11-17(13)21-20-23-22-18(12-29-20)16-9-7-14(27-4)10-19(16)28-5/h6-11H,12H2,1-5H3,(H,21,23)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.85E+4	n/a	n/a	n/a	n/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