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Target
Aromatase
Ligand
BDBM10018
Substrate
BDBM8592
Meas. Tech.
Aromatase Assay
pH
7.5±n/a
Temperature
310.15±n/a K
IC50
12±1.8 nM
Citation
 Woo, LW; Sutcliffe, OB; Bubert, C; Grasso, A; Chander, SK; Purohit, A; Reed, MJ; Potter, BV First dual aromatase-steroid sulfatase inhibitors. J Med Chem 46:3193-6 (2003) [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:
BDBM10018
Synonyms:
(4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]methyl}-2-fluorophenyl) sulfamate | JMC503540 Compound 3 | YM511-based dual aromatase-sulfatase inhibitor (DASI) 5 | dual aromatase-sulfatase inhibitor 5
Type:
Small organic molecule
Emp. Form.:
C16H13FN6O3S
Mol. Mass.:
388.376
SMILES:
NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1F
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: