Reaction Details Report a problem with these data
Target
Aromatase
Ligand
BDBM9484
Substrate
BDBM8592
Meas. Tech.
CYP19 Assay
pH
7.4±n/a
Temperature
303.15±n/a K
Comments
27% inhibition uM inhibitor.
Citation
 Leonetti, F; Favia, A; Rao, A; Aliano, R; Paluszcak, A; Hartmann, RW; Carotti, A Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors. J Med Chem 47:6792-803 (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:
BDBM9484
Synonyms:
7-methoxy-4-(pyridin-4-yl)-2H-chromen-2-one | Coumarin deriv. 33
Type:
Small organic molecule
Emp. Form.:
C15H11NO3
Mol. Mass.:
253.2527
SMILES:
COc1ccc2c(cc(=O)oc2c1)-c1ccncc1
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: