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BDBM50322065 3,5-Diacetoxy-4'-amino-trans-stilbene::CHEMBL1172400

SMILES: CC(=O)Oc1cc(OC(C)=O)cc(\C=C\c2ccc(N)cc2)c1

InChI Key: InChIKey=QERWBDJMMUMFOT-ONEGZZNKSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50322065   
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))
BDBM50322065
PNG
(3,5-Diacetoxy-4'-amino-trans-stilbene | CHEMBL1172...)
Show SMILES CC(=O)Oc1cc(OC(C)=O)cc(\C=C\c2ccc(N)cc2)c1
Show InChI InChI=1S/C18H17NO4/c1-12(20)22-17-9-15(10-18(11-17)23-13(2)21)4-3-14-5-7-16(19)8-6-14/h3-11H,19H2,1-2H3/b4-3+
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.94E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human aromatase preincubated with NADP+ for 10 mins before substrate addition measured after 30 mins


Bioorg Med Chem 18: 5352-66 (2010)


Article DOI: 10.1016/j.bmc.2010.05.042
BindingDB Entry DOI: 10.7270/Q2PK0H4P
More data for this
Ligand-Target Pair