Reaction Details Report a problem with these data
Target
Aromatase
Ligand
BDBM29221
Substrate
BDBM29231
Meas. Tech.
QR2 Assay and IC50 Value Determination
IC50
960±n/a nM
Citation
 Maiti, A; Reddy, PV; Sturdy, M; Marler, L; Pegan, SD; Mesecar, AD; Pezzuto, JM; Cushman, M Synthesis of casimiroin and optimization of its quinone reductase 2 and aromatase inhibitory activities. J Med Chem 52:1873-84 (2009) [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:
BDBM29221
Synonyms:
casimiroin analogue, 1j
Type:
Small organic molecule
Emp. Form.:
C13H15NO3
Mol. Mass.:
233.2631
SMILES:
COc1cc(OC)c2n(C)c(=O)cc(C)c2c1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM29231
Synonyms:
dibenzylfluorescein (DBF)
Type:
n/a
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure: