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BDBM50213241 7-methoxy-2-[3-(3-methylbut-2-enyl)phenyl]chroman-4-one::CHEMBL229906

SMILES: [#6]-[#8]-c1ccc2-[#6](=O)-[#6]-[#6](-[#8]-c2c1)-c1cccc(-[#6]\[#6]=[#6](\[#6])-[#6])c1

InChI Key: InChIKey=VKPMSWMZYVKLMW-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50213241   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50213241
PNG
(7-methoxy-2-[3-(3-methylbut-2-enyl)phenyl]chroman-...)
Show SMILES COc1ccc2C(=O)CC(Oc2c1)c1cccc(CC=C(C)C)c1
Show InChI InChI=1/C21H22O3/c1-14(2)7-8-15-5-4-6-16(11-15)20-13-19(22)18-10-9-17(23-3)12-21(18)24-20/h4-7,9-12,20H,8,13H2,1-3H3
PDB
MMDB

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Similars

Article
PubMed
n/an/a 4.67E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human aromatase


J Med Chem 50: 2799-806 (2007)


Article DOI: 10.1021/jm070109i
BindingDB Entry DOI: 10.7270/Q2668F0Z
More data for this
Ligand-Target Pair