BDBM50361893 CHEMBL1938939
SMILES: Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ncccc12
InChI Key: InChIKey=VPEUHJYRWRUAQG-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 3 hits for monomerid = 50361893 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)) | BDBM50361893
(CHEMBL1938939)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ncccc12 Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-17(21(30)20-19(29)8-5-11-27-20)22(31)28-15-9-10-16(14-6-3-2-4-7-14)18(12-15)23(24,25)26/h2-13H,1H3,(H,28,31) | 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 | 4.10E+3 | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho... |
Bioorg Med Chem Lett 22: 527-31 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.085 BindingDB Entry DOI: 10.7270/Q2PG1S67 |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50361893
(CHEMBL1938939)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ncccc12 Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-17(21(30)20-19(29)8-5-11-27-20)22(31)28-15-9-10-16(14-6-3-2-4-7-14)18(12-15)23(24,25)26/h2-13H,1H3,(H,28,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50361893
(CHEMBL1938939)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ncccc12 Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-17(21(30)20-19(29)8-5-11-27-20)22(31)28-15-9-10-16(14-6-3-2-4-7-14)18(12-15)23(24,25)26/h2-13H,1H3,(H,28,31) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 22: 527-31 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.085 BindingDB Entry DOI: 10.7270/Q2PG1S67 |
More data for this Ligand-Target Pair | |