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Target
Aromatase
Ligand
BDBM50014449
Substrate
n/a
Meas. Tech.
ChEMBL_50694 (CHEMBL663239)
IC50
96.0±n/a nM
Citation
 McCague, R; Rowlands, MG; Barrie, SE; Houghton, J Inhibition of enzymes of estrogen and androgen biosynthesis by esters of 4-pyridylacetic acid. J Med Chem 33:3050-5 (1990) [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:
Human
Description:
P11511
Residue:
503
Sequence:
MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH
  
Inhibitor
Name:
BDBM50014449
Synonyms:
(1R,2R,3R,5S)-(-)-Pyridin-4-yl-acetic acid 2,6,6-trimethyl-bicyclo[3.1.1]hept-3-yl ester | (1S,2S,3S,5R)-(-)-Pyridin-4-yl-acetic acid 2,6,6-trimethyl-bicyclo[3.1.1]hept-3-yl ester | CHEMBL319026
Type:
Small organic molecule
Emp. Form.:
C17H23NO2
Mol. Mass.:
273.37
SMILES:
CC1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C |TLB:7:6:17:3,THB:0:1:17:3|
Structure:
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