BDBM80794 5-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-N-[4-(4-morpholinylsulfonyl)phenyl]-6H-1,3,4-thiadiazin-2-amine::5-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-N-(4-morpholin-4-ylsulfonylphenyl)-6H-1,3,4-thiadiazin-2-amine::5-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-(4-morpholin-4-ylsulfonylphenyl)-6H-1,3,4-thiadiazin-2-amine::MLS001002759::SMR000370725::[5-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-6H-1,3,4-thiadiazin-2-yl]-(4-morpholinosulfonylphenyl)amine::cid_3579984

SMILES: COCCn1c(C)cc(c1C)C1=NN=C(Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)SC1

InChI Key: InChIKey=BOCXAQMOJAWFRQ-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 = 80794   

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 type I (Homo sapiens (Human))	BDBM80794 (5-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-N-[...) Show SMILES COCCn1c(C)cc(c1C)C1=NN=C(Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)SC1 |t:12,14| Show InChI InChI=1S/C22H29N5O4S2/c1-16-14-20(17(2)27(16)10-11-30-3)21-15-32-22(25-24-21)23-18-4-6-19(7-5-18)33(28,29)26-8-12-31-13-9-26/h4-7,14H,8-13,15H2,1-3H3,(H,23,25)	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	3.45E+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
putative hexokinase HKDC1 (Homo sapiens (Human))	BDBM80794 (5-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-N-[...) Show SMILES COCCn1c(C)cc(c1C)C1=NN=C(Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)SC1 |t:12,14| Show InChI InChI=1S/C22H29N5O4S2/c1-16-14-20(17(2)27(16)10-11-30-3)21-15-32-22(25-24-21)23-18-4-6-19(7-5-18)33(28,29)26-8-12-31-13-9-26/h4-7,14H,8-13,15H2,1-3H3,(H,23,25)	GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.44E+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