BDBM41592 (Z)-2,3-bis(chloranyl)-N-(6-methoxypyridin-3-yl)-3-(phenylmethyl)sulfonyl-prop-2-enamide::(Z)-2,3-dichloro-N-(6-methoxy-3-pyridinyl)-3-(phenylmethyl)sulfonyl-2-propenamide::(Z)-3-benzylsulfonyl-2,3-dichloro-N-(6-methoxy-3-pyridyl)acrylamide::(Z)-3-benzylsulfonyl-2,3-dichloro-N-(6-methoxypyridin-3-yl)prop-2-enamide::3-(benzylsulfonyl)-2,3-dichloro-N-(6-methoxy-3-pyridinyl)acrylamide::MLS000540303::SMR000125561::cid_1472218
SMILES: COc1ccc(NC(=O)C(\Cl)=C(\Cl)S(=O)(=O)Cc2ccccc2)cn1
InChI Key: InChIKey=RSCMVRBCGVUKGX-CCEZHUSRSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human)) | BDBM41592 ((Z)-2,3-bis(chloranyl)-N-(6-methoxypyridin-3-yl)-3...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2B56H4Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human)) | BDBM41592 ((Z)-2,3-bis(chloranyl)-N-(6-methoxypyridin-3-yl)-3...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2319TBQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human)) | BDBM41592 ((Z)-2,3-bis(chloranyl)-N-(6-methoxypyridin-3-yl)-3...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2WQ027W | |||||||||||
More data for this Ligand-Target Pair |