BDBM11273 2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide::CHEMBL210497::pyrimidinone-containing compound 10
SMILES: COc1cccc(c1)-c1nc(SCC(=O)Nc2ccc(cc2)S(N)(=O)=O)[nH]c(=O)c1C#N
InChI Key: InChIKey=MFBIUOFKXQKEGQ-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM11273 (2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydrop...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | 7.0 | 25 |
National Tsing Hua University | Assay Description The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t... | J Med Chem 49: 3485-95 (2006) Article DOI: 10.1021/jm050852f BindingDB Entry DOI: 10.7270/Q2R20ZKB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lactate dehydrogenase A (LDHA) (Homo sapiens (Human)) | BDBM11273 (2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydrop...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibition of human recombinant carboxy-terminal his-tagged LDHA (1 to 331) expressed in Escherichia coli using pyruvate as substrate after 10 mins b... | Bioorg Med Chem Lett 23: 3186-94 (2013) Article DOI: 10.1016/j.bmcl.2013.04.001 BindingDB Entry DOI: 10.7270/Q29C6ZTT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM11273 (2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydrop...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lactate dehydrogenase A (LDHA) (Homo sapiens (Human)) | BDBM11273 (2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydrop...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 3.84E+4 | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Binding affinity to human recombinant carboxy-terminal avi-tagged LDHA (1 to 331) expressed in Escherichia coli by surface plasmon resonance analysis... | Bioorg Med Chem Lett 23: 3186-94 (2013) Article DOI: 10.1016/j.bmcl.2013.04.001 BindingDB Entry DOI: 10.7270/Q29C6ZTT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lactate dehydrogenase B (LDHB) (Homo sapiens (Human)) | BDBM11273 (2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydrop...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.64E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibition of human recombinant carboxy-terminal his-tagged LDHB (1 to 333) expressed in insect cells using pyruvate as substrate after 10 mins by UV... | Bioorg Med Chem Lett 23: 3186-94 (2013) Article DOI: 10.1016/j.bmcl.2013.04.001 BindingDB Entry DOI: 10.7270/Q29C6ZTT | |||||||||||
More data for this Ligand-Target Pair |