Found 7 hits for monomerid = 50192761 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 |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192761
(CHEMBL3978980)Show SMILES CC(C)[C@H]1N(Cc2cn(nc12)-c1ccc(CO)c(c1)S(C)(=O)=O)c1ncc(CO)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C22H24F3N5O4S/c1-12(2)19-18-15(8-29(19)21-26-7-14(11-32)20(27-21)22(23,24)25)9-30(28-18)16-5-4-13(10-31)17(6-16)35(3,33)34/h4-7,9,12,19,31-32H,8,10-11H2,1-3H3/t19-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of radiolabeled T0901317 from LXRbeta LBD (unknown origin) |
Bioorg Med Chem Lett 26: 5044-5050 (2016)
BindingDB Entry DOI: 10.7270/Q28P62GC |
More data for this Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50192761
(CHEMBL3978980)Show SMILES CC(C)[C@H]1N(Cc2cn(nc12)-c1ccc(CO)c(c1)S(C)(=O)=O)c1ncc(CO)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C22H24F3N5O4S/c1-12(2)19-18-15(8-29(19)21-26-7-14(11-32)20(27-21)22(23,24)25)9-30(28-18)16-5-4-13(10-31)17(6-16)35(3,33)34/h4-7,9,12,19,31-32H,8,10-11H2,1-3H3/t19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of radiolabeled T0901317 from LXRalpha LBD (unknown origin) |
Bioorg Med Chem Lett 26: 5044-5050 (2016)
BindingDB Entry DOI: 10.7270/Q28P62GC |
More data for this Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50192761
(CHEMBL3978980)Show SMILES CC(C)[C@H]1N(Cc2cn(nc12)-c1ccc(CO)c(c1)S(C)(=O)=O)c1ncc(CO)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C22H24F3N5O4S/c1-12(2)19-18-15(8-29(19)21-26-7-14(11-32)20(27-21)22(23,24)25)9-30(28-18)16-5-4-13(10-31)17(6-16)35(3,33)34/h4-7,9,12,19,31-32H,8,10-11H2,1-3H3/t19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 214 | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity at LXRalpha LBD (unknown origin) fused with Gal4-DNA binding domain expressed in HEK293 cells assessed as modulation of receptor tra... |
Bioorg Med Chem Lett 26: 5044-5050 (2016)
BindingDB Entry DOI: 10.7270/Q28P62GC |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50192761
(CHEMBL3978980)Show SMILES CC(C)[C@H]1N(Cc2cn(nc12)-c1ccc(CO)c(c1)S(C)(=O)=O)c1ncc(CO)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C22H24F3N5O4S/c1-12(2)19-18-15(8-29(19)21-26-7-14(11-32)20(27-21)22(23,24)25)9-30(28-18)16-5-4-13(10-31)17(6-16)35(3,33)34/h4-7,9,12,19,31-32H,8,10-11H2,1-3H3/t19-/m1/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 7.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 26: 5044-5050 (2016)
BindingDB Entry DOI: 10.7270/Q28P62GC |
More data for this Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192761
(CHEMBL3978980)Show SMILES CC(C)[C@H]1N(Cc2cn(nc12)-c1ccc(CO)c(c1)S(C)(=O)=O)c1ncc(CO)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C22H24F3N5O4S/c1-12(2)19-18-15(8-29(19)21-26-7-14(11-32)20(27-21)22(23,24)25)9-30(28-18)16-5-4-13(10-31)17(6-16)35(3,33)34/h4-7,9,12,19,31-32H,8,10-11H2,1-3H3/t19-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 36 | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity at LXRbeta LBD (unknown origin) fused with Gal4-DNA binding domain expressed in HEK293 cells assessed as modulation of receptor tran... |
Bioorg Med Chem Lett 26: 5044-5050 (2016)
BindingDB Entry DOI: 10.7270/Q28P62GC |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50192761
(CHEMBL3978980)Show SMILES CC(C)[C@H]1N(Cc2cn(nc12)-c1ccc(CO)c(c1)S(C)(=O)=O)c1ncc(CO)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C22H24F3N5O4S/c1-12(2)19-18-15(8-29(19)21-26-7-14(11-32)20(27-21)22(23,24)25)9-30(28-18)16-5-4-13(10-31)17(6-16)35(3,33)34/h4-7,9,12,19,31-32H,8,10-11H2,1-3H3/t19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 493 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 26: 5044-5050 (2016)
BindingDB Entry DOI: 10.7270/Q28P62GC |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50192761
(CHEMBL3978980)Show SMILES CC(C)[C@H]1N(Cc2cn(nc12)-c1ccc(CO)c(c1)S(C)(=O)=O)c1ncc(CO)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C22H24F3N5O4S/c1-12(2)19-18-15(8-29(19)21-26-7-14(11-32)20(27-21)22(23,24)25)9-30(28-18)16-5-4-13(10-31)17(6-16)35(3,33)34/h4-7,9,12,19,31-32H,8,10-11H2,1-3H3/t19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 26: 5044-5050 (2016)
BindingDB Entry DOI: 10.7270/Q28P62GC |
More data for this Ligand-Target Pair | |