BDBM53878 4,5-dimethoxy-2-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]benzoic acid::4,5-dimethoxy-2-[[1-oxo-2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]ethyl]amino]benzoic acid::4,5-dimethoxy-2-[[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzoic acid::4,5-dimethoxy-2-[[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]benzoic acid::MLS000856474::SMR000274831::cid_3186974
SMILES: COc1cc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c23)c(cc1OC)C(O)=O
InChI Key: InChIKey=FSULYXCULMDLOG-UHFFFAOYSA-N
Data: 3 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia)) | BDBM53878 (4,5-dimethoxy-2-[2-(5-phenylthieno[2,3-d]pyrimidin...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
SRMLSC Curated by PubChem BioAssay | Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q27H1H0J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human)) | BDBM53878 (4,5-dimethoxy-2-[2-(5-phenylthieno[2,3-d]pyrimidin...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital Curated by ChEMBL | Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay | Bioorg Med Chem 19: 5585-95 (2011) Article DOI: 10.1016/j.bmc.2011.07.034 BindingDB Entry DOI: 10.7270/Q2V69JZ1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7) | BDBM53878 (4,5-dimethoxy-2-[2-(5-phenylthieno[2,3-d]pyrimidin...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SRMLSC Curated by PubChem BioAssay | Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q27W69N8 | |||||||||||
More data for this Ligand-Target Pair |