BDBM22370 1,3-Diarylprop-2-yn-1-one, 27::3-(4-methanesulfonylphenyl)-1-[4-(methylsulfanyl)phenyl]prop-2-yn-1-one
SMILES: CSc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
InChI Key: InChIKey=LYLNGAGMHRAPQN-UHFFFAOYSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cyclooxygenase (Homo sapiens (Human)) | BDBM22370 (1,3-Diarylprop-2-yn-1-one, 27 | 3-(4-methanesulfon...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta | Assay Description The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as... | J Med Chem 49: 1668-83 (2006) Article DOI: 10.1021/jm0510474 BindingDB Entry DOI: 10.7270/Q2DV1H5S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lipoxygenase-1 (Glycine max (soybean)) | BDBM22370 (1,3-Diarylprop-2-yn-1-one, 27 | 3-(4-methanesulfon...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta | Assay Description The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen... | J Med Chem 49: 1668-83 (2006) Article DOI: 10.1021/jm0510474 BindingDB Entry DOI: 10.7270/Q2DV1H5S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-Lipoxygenase (Solanum tuberosum (potato)) | BDBM22370 (1,3-Diarylprop-2-yn-1-one, 27 | 3-(4-methanesulfon...) | KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta | Assay Description The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen... | J Med Chem 49: 1668-83 (2006) Article DOI: 10.1021/jm0510474 BindingDB Entry DOI: 10.7270/Q2DV1H5S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep)) | BDBM22370 (1,3-Diarylprop-2-yn-1-one, 27 | 3-(4-methanesulfon...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta | Assay Description The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as... | J Med Chem 49: 1668-83 (2006) Article DOI: 10.1021/jm0510474 BindingDB Entry DOI: 10.7270/Q2DV1H5S | |||||||||||
More data for this Ligand-Target Pair |