BDBM80788 (5E)-2,4-dimethyl-5-[2-(o-anisidino)-4H-1,3,4-thiadiazin-5-ylidene]pyrrole-3-carboxylic acid ethyl ester::(5E)-5-[2-(2-methoxyanilino)-4H-1,3,4-thiadiazin-5-ylidene]-2,4-dimethyl-3-pyrrolecarboxylic acid ethyl ester::MLS000336298::SMR000253852::cid_15945255::ethyl (5E)-5-[2-(2-methoxyanilino)-4H-1,3,4-thiadiazin-5-ylidene]-2,4-dimethylpyrrole-3-carboxylate::ethyl (5E)-5-[2-[(2-methoxyphenyl)amino]-4H-1,3,4-thiadiazin-5-ylidene]-2,4-dimethyl-pyrrole-3-carboxylate
SMILES: CCOC(=O)c1c(C)[nH]c(c1C)C1=NN=C(Nc2ccccc2OC)SC1
InChI Key: InChIKey=CSDGYASODCTXAJ-UHFFFAOYSA-N
Data: 2 EC50
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)) | BDBM80788 ((5E)-2,4-dimethyl-5-[2-(o-anisidino)-4H-1,3,4-thia...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.53E+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)) | BDBM80788 ((5E)-2,4-dimethyl-5-[2-(o-anisidino)-4H-1,3,4-thia...) | GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.50E+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 |