Reaction Details Report a problem with these data
Target
Aromatase
Ligand
BDBM9954
Substrate
BDBM8592
Meas. Tech.
Aromatase Assay
pH
7.5±n/a
Temperature
310.15±n/a K
Ki
43±n/a nM
IC50
530±n/a nM
Citation
 Numazawa, M; Oshibe, M; Yamaguchi, S; Tachibana, M Time-dependent inactivation of aromatase by 6-alkylandrosta-1,4-diene-3,17-diones. Effects of length and configuration of 6-alkyl group. J Med Chem 39:1033-8 (1996) [PubMed]  Article 
Target
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:
MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH
  
Inhibitor
Name:
BDBM9954
Synonyms:
1,4-Androsten-3,17-dione | 2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-diene-5,14-dione
Type:
Small organic molecule
Emp. Form.:
C19H24O2
Mol. Mass.:
284.3927
SMILES:
CC12CCC3C(CCC4=CC(=O)C=CC34C)C1CCC2=O |c:12,t:8|
Structure:
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Substrate
Name:
BDBM8592
Synonyms:
(2R,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,14-dione | 4-Androsten-3,17-dione | Androst-4-ene-3,17-dione | Androstenedione | [1beta-3H] androstenedione
Type:
Small organic molecule
Emp. Form.:
C19H26O2
Mol. Mass.:
286.4085
SMILES:
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2=O |r,t:8|
Structure:
Search PDB for entries with ligand similarity: