BDBM75603 (5Z)-5-[[1-(2,6-difluorobenzyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-3-methoxy-2-methylimino-thiazolidin-4-one::(5Z)-5-[[1-[(2,6-difluorophenyl)methyl]-2,5-dimethyl-3-pyrrolyl]methylidene]-3-methoxy-2-methylimino-4-thiazolidinone::(5Z)-5-[[1-[(2,6-difluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]methylidene]-3-methoxy-2-methylimino-1,3-thiazolidin-4-one::(5Z)-5-[[1-[[2,6-bis(fluoranyl)phenyl]methyl]-2,5-dimethyl-pyrrol-3-yl]methylidene]-3-methoxy-2-methylimino-1,3-thiazolidin-4-one::CYM50181::SR-02000000305::SR-02000000305-1::cid_44620879
SMILES: CON1C(=O)\C(S\C1=N/C)=C\c1cc(C)n(Cc2c(F)cccc2F)c1C
InChI Key: InChIKey=FMZYJKYHJWRKPB-UYMBLXCVSA-N
Data: 5 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human)) | BDBM75603 ((5Z)-5-[[1-(2,6-difluorobenzyl)-2,5-dimethyl-pyrro...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 88.6 | 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 (2010) BindingDB Entry DOI: 10.7270/Q2610XS9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human)) | BDBM75603 ((5Z)-5-[[1-(2,6-difluorobenzyl)-2,5-dimethyl-pyrro...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 113 | 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 (2010) BindingDB Entry DOI: 10.7270/Q2XG9PMK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human)) | BDBM75603 ((5Z)-5-[[1-(2,6-difluorobenzyl)-2,5-dimethyl-pyrro...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 339 | 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 (2010) BindingDB Entry DOI: 10.7270/Q2WM1BVM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human)) | BDBM75603 ((5Z)-5-[[1-(2,6-difluorobenzyl)-2,5-dimethyl-pyrro...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >5.00E+4 | 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 (2010) BindingDB Entry DOI: 10.7270/Q2J964VT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human)) | BDBM75603 ((5Z)-5-[[1-(2,6-difluorobenzyl)-2,5-dimethyl-pyrro...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >5.00E+4 | 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 (2010) BindingDB Entry DOI: 10.7270/Q2P26WMM | |||||||||||
More data for this Ligand-Target Pair |