BDBM50158349 1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl)-1,2,4-oxadiazol-3-yl)benzyl)azetidine-3-carboxylic acid::CHEMBL225575
SMILES: OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2cc(c(s2)C(F)(F)F)-c2ccccc2)C1
InChI Key: InChIKey=QGDUQFMYMKUVHT-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human)) | BDBM50158349 (1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells | J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human)) | BDBM50158349 (1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cells | J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human)) | BDBM50158349 (1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 17 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Activity at human S1P3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay | J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human)) | BDBM50158349 (1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P4 receptor expressed in CHO cells | J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human)) | BDBM50158349 (1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Agonist activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay | Bioorg Med Chem Lett 23: 6377-89 (2013) Article DOI: 10.1016/j.bmcl.2013.09.058 BindingDB Entry DOI: 10.7270/Q2FR00KV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human)) | BDBM50158349 (1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells | J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human)) | BDBM50158349 (1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay | J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human)) | BDBM50158349 (1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd Curated by ChEMBL | Assay Description Agonist activity at human S1P3 receptor assessed as stimulation of [35S]GTPgamma binding | Bioorg Med Chem Lett 22: 1788-92 (2012) Article DOI: 10.1016/j.bmcl.2011.12.019 BindingDB Entry DOI: 10.7270/Q2Z038MT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human)) | BDBM50158349 (1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 4.20 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd Curated by ChEMBL | Assay Description Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding | Bioorg Med Chem Lett 22: 1788-92 (2012) Article DOI: 10.1016/j.bmcl.2011.12.019 BindingDB Entry DOI: 10.7270/Q2Z038MT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human)) | BDBM50158349 (1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells | J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F | |||||||||||
More data for this Ligand-Target Pair |