Found 3 hits for monomerid = 50388470 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)) | BDBM50388470
(CHEMBL2057232)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1cnc(nc1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C26H27N3O3/c1-4-22-18(8-6-10-25(30)31)7-5-9-23(22)21-15-28-26(29-16-21)19-11-12-24(32-17(2)3)20(13-19)14-27/h5,7,9,11-13,15-17H,4,6,8,10H2,1-3H3,(H,30,31) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity against S1P3 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107 BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50388470
(CHEMBL2057232)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1cnc(nc1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C26H27N3O3/c1-4-22-18(8-6-10-25(30)31)7-5-9-23(22)21-15-28-26(29-16-21)19-11-12-24(32-17(2)3)20(13-19)14-27/h5,7,9,11-13,15-17H,4,6,8,10H2,1-3H3,(H,30,31) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107 BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50388470
(CHEMBL2057232)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1cnc(nc1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C26H27N3O3/c1-4-22-18(8-6-10-25(30)31)7-5-9-23(22)21-15-28-26(29-16-21)19-11-12-24(32-17(2)3)20(13-19)14-27/h5,7,9,11-13,15-17H,4,6,8,10H2,1-3H3,(H,30,31) | 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 | 1 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107 BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this Ligand-Target Pair | |