BDBM50313495 (S)-2-amino-4-(4-(heptyloxy)phenyl)-2-methylbutanoic acid::CHEMBL1086171
SMILES: CCCCCCCOc1ccc(CC[C@](C)(N)C(O)=O)cc1
InChI Key: InChIKey=HBEUHDJEXSWDPB-SFHVURJKSA-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 5 (Homo sapiens (Human)) | BDBM50313495 ((S)-2-amino-4-(4-(heptyloxy)phenyl)-2-methylbutano...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 280 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Agonist activity at human S1P5 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding | Bioorg Med Chem Lett 20: 1485-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.118 BindingDB Entry DOI: 10.7270/Q2WD40QR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human)) | BDBM50313495 ((S)-2-amino-4-(4-(heptyloxy)phenyl)-2-methylbutano...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 44 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding | Bioorg Med Chem Lett 20: 1485-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.118 BindingDB Entry DOI: 10.7270/Q2WD40QR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human)) | BDBM50313495 ((S)-2-amino-4-(4-(heptyloxy)phenyl)-2-methylbutano...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 140 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Agonist activity at human S1P4 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding | Bioorg Med Chem Lett 20: 1485-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.118 BindingDB Entry DOI: 10.7270/Q2WD40QR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human)) | BDBM50313495 ((S)-2-amino-4-(4-(heptyloxy)phenyl)-2-methylbutano...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >2.20E+4 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding | Bioorg Med Chem Lett 20: 1485-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.118 BindingDB Entry DOI: 10.7270/Q2WD40QR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human)) | BDBM50313495 ((S)-2-amino-4-(4-(heptyloxy)phenyl)-2-methylbutano...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Agonist activity at human S1P2 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding | Bioorg Med Chem Lett 20: 1485-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.118 BindingDB Entry DOI: 10.7270/Q2WD40QR | |||||||||||
More data for this Ligand-Target Pair |