Reaction Details Report a problem with these data
Target
Aromatase
Ligand
BDBM50015983
Substrate
n/a
Meas. Tech.
ChEMBL_51036 (CHEMBL662249)
Ki
120±n/a nM
Citation
 Leung, CS; Rowlands, MG; Jarman, M; Foster, AB; Griggs, LJ; Wilman, DE Analogues of 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione as selective inhibitors of aromatase: derivatives with variable 1-alkyl and 3-alkyl substituents. J Med Chem 30:1550-4 (1987) [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:
BDBM50015983
Synonyms:
(S)-3-Ethyl-1-octyl-4,5-dihydro-3H-[3,4']bipyridinyl-2,6-dione | 3-Ethyl-1-octyl-4,5-dihydro-3H-[3,4']bipyridinyl-2,6-dione | CHEMBL39661
Type:
Small organic molecule
Emp. Form.:
C20H30N2O2
Mol. Mass.:
330.4644
SMILES:
CCCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
Structure:
Search PDB for entries with ligand similarity: