BDBM50428142 CHEMBL2336071
SMILES: CCc1cc(ccc1CN1CC(C1)C(O)=O)C(\C)=N\OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F
InChI Key: InChIKey=KIHYPELVXPAIDH-HNSNBQBZSA-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 3 (Homo sapiens (Human)) | BDBM50428142 (CHEMBL2336071) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL | Assay Description Agonist activity at human S1P3 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by... | ACS Med Chem Lett 4: 333-7 (2013) Article DOI: 10.1021/ml300396r BindingDB Entry DOI: 10.7270/Q2RF5WCH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human)) | BDBM50428142 (CHEMBL2336071) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | 0.980 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Agonist activity at human S1P5 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 | 3D Structure (crystal) | ||||||||||||
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human)) | BDBM50428142 (CHEMBL2336071) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 750 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Agonist activity at human S1P4 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 1 (Homo sapiens (Human)) | BDBM50428142 (CHEMBL2336071) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL | Assay Description Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by... | ACS Med Chem Lett 4: 333-7 (2013) Article DOI: 10.1021/ml300396r BindingDB Entry DOI: 10.7270/Q2RF5WCH | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |