Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Aromatase | ||
| Ligand | BDBM50029230 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_50719 (CHEMBL666798) | ||
| IC50 | 75.0±n/a nM | ||
| Citation |  Rowlands, MG; Barrie, SE; Chan, F; Houghton, J; Jarman, M; McCague, R; Potter, GA Esters of 3-pyridylacetic acid that combine potent inhibition of 17 alpha-hydroxylase/C17,20-lyase (cytochrome P45017 alpha) with resistance to esterase hydrolysis. J Med Chem38:4191-7 (1995) [PubMed] | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Aromatase | |||
| Name: | Aromatase | ||
| Synonyms: | ARO1 | Aromatase | CP19A_HUMAN | CYAR | CYP19 | CYP19A1 | CYPXIX | Cytochrome P-450AROM | Cytochrome P450 19A1 | Cytochrome P450 2C19 | Cytochrome P450-C19 (CYP19) | Estrogen synthetase | FL cytokine receptor precursor | P-450AROM | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 57888.92 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P11511 | ||
| Residue: | 503 | ||
| Sequence: |
| ||
| BDBM50029230 | |||
| n/a | |||
| Name | BDBM50029230 | ||
| Synonyms: | 2-Methyl-2-pyridin-3-yl-propionic acid 2-methyl-adamantan-2-yl ester | CHEMBL3084923 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H27NO2 | ||
| Mol. Mass. | 313.4339 | ||
| SMILES | CC(C)(C(=O)OC1(C)C2CC3CC(C2)CC1C3)c1cccnc1 |TLB:7:6:10.9.16:12.13.14,5:6:13:10.9.11,16:15:13:10.9.11,THB:7:6:13:10.9.11,5:6:10.9.16:12.13.14,16:10:13:6.15.14,11:10:6:12.13.14,11:12:6:10.9.16,(4.95,-9.51,;4.66,-11.03,;4.37,-12.54,;6.18,-11.31,;6.68,-12.77,;7.18,-10.15,;8.69,-10.43,;8.91,-11.96,;10.07,-9.74,;10.07,-8.34,;10.91,-6.87,;12.28,-7.56,;12.28,-8.96,;11.44,-10.43,;10.91,-9.66,;9.53,-8.96,;9.53,-7.56,;3.15,-10.74,;2.64,-9.28,;1.13,-9,;.12,-10.16,;.63,-11.62,;2.14,-11.9,)| | ||
| Structure | 
| ||