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Target
Aromatase
Ligand
BDBM13058
Substrate
BDBM8592
Meas. Tech.
Aromatase Inhibition Assay
pH
7.5000±n/a
Temperature
310.1500±n/a K
IC50
300±42 nM
Citation
 Wood, PM; Woo, LW; Labrosse, JR; Trusselle, MN; Abbate, S; Longhi, G; Castiglioni, E; Lebon, F; Purohit, A; Reed, MJ; Potter, BV Chiral aromatase and dual aromatase-steroid sulfatase inhibitors from the letrozole template: synthesis, absolute configuration, and in vitro activity. J Med Chem 51:4226-38 (2008) [PubMed]  Article 
Target
Name:
Aromatase
Synonyms:
Aromatase | CYPXIX | Cytochrome P-450AROM | Cytochrome P450 2C19 | Cytochrome P450-C19 (CYP19) | Estrogen synthetase | FL cytokine receptor precursor | P-450AROM | CP19A_HUMAN | CYP19A1 | ARO1 | CYAR | CYP19 | Cytochrome P450 19A1
Type:
Enzyme
Mol. Mass.:
57888.92
Organism:
Human
Description:
P11511
Residue:
503
Sequence:
MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH
  
Inhibitor
Name:
BDBM13058
Synonyms:
6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-3-yl sulfamate | CMT | CHEMBL286738 | STX64 | {9-oxo-8-oxatricyclo[8.5.0.0^{2,7}]pentadeca-1(10),2(7),3,5-tetraen-5-yl} sulfamate | 667COUMATE | BN83495 | 667-COUMATE
Type:
Small organic molecule
Emp. Form.:
C14H15NO5S
Mol. Mass.:
309.07
SMILES:
c1cc2c(cc1OS(=O)(=O)N)OC(=O)C3=C2CCCCC3
Structure:
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Substrate
Name:
BDBM8592
Synonyms:
[1beta-3H] androstenedione | 4-Androsten-3,17-dione | (2R,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,14-dione | Androst-4-ene-3,17-dione | Androstenedione
Type:
Small organic molecule
Emp. Form.:
C19H26O2
Mol. Mass.:
286.19
SMILES:
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2=O |r,t:8|
Structure:
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