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Reaction Details
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TargetAromatase
LigandBDBM9956
Substrate/CompetitorBDBM8592
Meas. Tech.Aromatase Assay
pH7.5±n/a
Temperature310.15±n/a K
Ki 14±n/a nM
IC50 110±n/a nM
Km33±n/a nM
Citation Numazawa, MKamiyama, TTachibana, MOshibe, M Synthesis and structure-activity relationships of 6-substituted androst-4-ene analogs as aromatase inhibitors. J Med Chem39:2245-52 (1996) [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
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  Blast E-value cutoff:
BDBM9956
BDBM8592
NameBDBM9956
Synonyms:(8S)-8-ethyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-one | 6-Substituted Androst-4-ene Analog 18b
TypeSmall organic molecule
Emp. Form.C21H32O
Mol. Mass.300.4782
SMILESCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:22|
Structure
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