Reaction Details Report a problem with these data
Target
Aromatase
Ligand
BDBM9460
Substrate
BDBM8592
Meas. Tech.
CYP19 Assay
pH
7±n/a
Temperature
310.15±n/a K
Ki
1410±100 nM
IC50
2800±n/a nM
Km
90±10 nM
Citation
 Kim, YW; Hackett, JC; Brueggemeier, RW Synthesis and aromatase inhibitory activity of novel pyridine-containing isoflavones. J Med Chem 47:4032-40 (2004) [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:
BDBM9460
Synonyms:
3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione | 3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione | Aminoglutethimide AG, 4 | CHEMBL488 | Cytadren | EN300-53368 | Elipten | aminoglutethimide (AG)
Type:
Small organic molecule
Emp. Form.:
C13H16N2O2
Mol. Mass.:
232.2783
SMILES:
CCC1(CCC(=O)NC1=O)c1ccc(N)cc1
Structure:
Search PDB for entries with ligand similarity:
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: