BDBM50158351 26-tert-butyl-13-(2,4,4-trimethylpentan-2-yl)-3,6,9,16,19,22-hexaoxatricyclo[22.3.1.0^{10,15}]octacosa-1(28),10(15),11,13,24,26-hexaene-28-carboxylic acid::CHEMBL224549
SMILES: OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(c2)C(F)(F)F)C1
InChI Key: InChIKey=ZGGLMGHJHZWEKX-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)) | BDBM50158351 (26-tert-butyl-13-(2,4,4-trimethylpentan-2-yl)-3,6,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 5.90 | 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 1 (Homo sapiens (Human)) | BDBM50158351 (26-tert-butyl-13-(2,4,4-trimethylpentan-2-yl)-3,6,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.70 | 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)) | BDBM50158351 (26-tert-butyl-13-(2,4,4-trimethylpentan-2-yl)-3,6,...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 21 | 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 2 (Homo sapiens (Human)) | BDBM50158351 (26-tert-butyl-13-(2,4,4-trimethylpentan-2-yl)-3,6,...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem 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 4 (Homo sapiens (Human)) | BDBM50158351 (26-tert-butyl-13-(2,4,4-trimethylpentan-2-yl)-3,6,...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 340 | 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 3 (Homo sapiens (Human)) | BDBM50158351 (26-tert-butyl-13-(2,4,4-trimethylpentan-2-yl)-3,6,...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem 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 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 |