9525 : (3S)-2-[(2E,4E)-hexa-2,4-dienoyl]-7-(2-{5-methyl-2-[(2E)-6-methylhept-2-en-2-yl]-1,3-oxazol-4-yl}ethoxy)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid; 2-methylpropan-2-amine
Ligand Basic Message
| Ligand | Scaffold |
|---|---|
 |  |
| ID | 9525 |
| Name | (3S)-2-[(2E,4E)-hexa-2,4-dienoyl]-7-(2-{5-methyl-2-[(2E)-6-methylhept-2-en-2-yl]-1,3-oxazol-4-yl}ethoxy)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid; 2-methylpropan-2-amine |
| smile | C/C=C/C=C/C(N1CC2=CC(=CC=C2C[C@H]1C(O)=O)OCCC1N=C(/C(/C)=C/CCC(C)C)OC=1C)=O.CC(N)(C)C |
| weight | 580 |
| scaffold ID | 14 |
| scaffold smile | c1nc(CCOc2ccc3c(c2)CNCC3)co1 |
Ligand Activities
| NR Protein | Protein Name | Ligand ID | Ligand Name | EC 50 |
|---|---|---|---|---|
| NR1C3 | Peroxisome proliferator activated receptor gamma | 9525 | (3S)-2-[(2E,4E)-hexa-2,4-dienoyl]-7-(2-{5-methyl-2-[(2E)-6-methylhept-2-en-2-yl]-1,3-oxazol-4-yl}ethoxy)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid; 2-methylpropan-2-amine | 0.02 |
Scaffold Activities Statistic