Reaction Details |
![](/images/Email.png) | Report a problem with these data |
Target | Aromatase |
---|
Ligand | BDBM50174543 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_321624 (CHEMBL871633) |
---|
IC50 | 670±n/a nM |
---|
Citation | Cepa, MM; Tavares da Silva, EJ; Correia-da-Silva, G; Roleira, FM; Teixeira, NA Structure-activity relationships of new A,D-ring modified steroids as aromatase inhibitors: design, synthesis, and biological activity evaluation. J Med Chem48:6379-85 (2005) [PubMed] Article |
---|
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: | MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLI
SHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKL
GLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTN
ESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWL
YKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCI
LEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFI
YESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAK
NVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLH
PDETKNMLEMIFTPRNSDRCLEH
|
|
|
BDBM50174543 |
---|
n/a |
---|
Name | BDBM50174543 |
Synonyms: | (3R,5R,10R,13S)-3-Hydroxy-10,13-dimethyl-tetradecahydro-cyclopenta[a]phenanthrene-4,17-dione | CHEMBL198818 |
Type | Small organic molecule |
Emp. Form. | C19H28O3 |
Mol. Mass. | 304.4238 |
SMILES | C[C@]12CCC3C(CC[C@H]4C(=O)[C@H](O)CC[C@]34C)C1CCC2=O |
Structure |
|