Found 6 hits for monomerid = 50388469 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)) | BDBM50388469
(CHEMBL2059516)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nnc(s1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C24H25N3O3S/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)24-27-26-23(31-24)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29) | 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 | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50388469
(CHEMBL2059516)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nnc(s1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C24H25N3O3S/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)24-27-26-23(31-24)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29) | 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 | 1.26 | 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 | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50388469
(CHEMBL2059516)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nnc(s1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C24H25N3O3S/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)24-27-26-23(31-24)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 |
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 3A4
(Homo sapiens (Human)) | BDBM50388469
(CHEMBL2059516)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nnc(s1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C24H25N3O3S/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)24-27-26-23(31-24)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
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 2C9
(Homo sapiens (Human)) | BDBM50388469
(CHEMBL2059516)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nnc(s1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C24H25N3O3S/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)24-27-26-23(31-24)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 |
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)) | BDBM50388469
(CHEMBL2059516)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nnc(s1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C24H25N3O3S/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)24-27-26-23(31-24)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29) | PDB
UniProtKB/SwissProt
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 |
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 | |