| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Aromatase |
|---|
| Ligand | BDBM9989 |
|---|
| Substrate/Competitor | BDBM8592 |
|---|
| Meas. Tech. | Aromatase Assay |
|---|
| pH | 7.5±n/a |
|---|
| Temperature | 310.15±n/a K |
|---|
| Ki | 3.4±n/a nM |
|---|
| IC50 | 31±n/a nM |
|---|
| Km | 33±n/a nM |
|---|
| Citation |  Numazawa, M; Yamada, K; Nitta, S; Sasaki, C; Kidokoro, K Role of hydrophilic interaction in binding of hydroxylated 3-deoxy C(19) steroids to the active site of aromatase. J Med Chem44:4277-83 (2001) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, 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
|
|
|
|---|
| BDBM9989 |
|---|
| BDBM8592 |
|---|
| Name | BDBM9989 |
|---|
| Synonyms: | (2S,6S,15S)-6-hydroxy-2-(hydroxymethyl)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-14-one | Hydroxylated 3-Deoxy C19 Steroid 27 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C19H28O3 |
|---|
| Mol. Mass. | 304.4238 |
|---|
| SMILES | C[C@]12CCC3C(CC=C4[C@@H](O)CCC[C@]34CO)C1CCC2=O |r,t:7| |
|---|
| Structure | 
|
|---|
Search and Browse
