9545 : 4-({[(1S)-12-acetyl-3,11-dihydroxy-5-methoxy-1-methyl-13-oxo-8-oxatricyclo[7.4.0.0²,?]trideca-2,4,6,9,11-pentaen-6-yl]formamido}methyl)naphthalene-2-carboxylic acid
Ligand Basic Message
| Ligand | Scaffold |
|---|---|
 |  |
| ID | 9545 |
| Name | 4-({[(1S)-12-acetyl-3,11-dihydroxy-5-methoxy-1-methyl-13-oxo-8-oxatricyclo[7.4.0.0²,?]trideca-2,4,6,9,11-pentaen-6-yl]formamido}methyl)naphthalene-2-carboxylic acid |
| smile | COC1=CC(=C2C(=C1C(NCC1=CC(C(O)=O)=CC3=CC=CC=C13)=O)OC1=CC(O)=C(C([C@@]21C)=O)C(C)=O)O |
| weight | 530 |
| scaffold ID | 459 |
| scaffold smile | O=C(NCc1cccc2ccccc21)c1cccc2c1OC1=CC=CC(=O)C21 |
Ligand Activities
| NR Protein | Protein Name | Ligand ID | Ligand Name | EC 50 |
|---|---|---|---|---|
| NR1C3 | Peroxisome proliferator activated receptor gamma | 9545 | 4-({[(1S)-12-acetyl-3,11-dihydroxy-5-methoxy-1-methyl-13-oxo-8-oxatricyclo[7.4.0.0²,?]trideca-2,4,6,9,11-pentaen-6-yl]formamido}methyl)naphthalene-2-carboxylic acid | 1.0 |
Scaffold Activities Statistic