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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 19A1' and Ligand = 'BDBM50322044'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50322044
PNG
((Z)-1-(3-(3,5-Dimethoxyphenyl)-2-(4-nitrophenyl)al...)
Show SMILES COc1cc(OC)cc(\C=C(/Cn2ccnc2)c2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C20H19N3O4/c1-26-19-10-15(11-20(12-19)27-2)9-17(13-22-8-7-21-14-22)16-3-5-18(6-4-16)23(24)25/h3-12,14H,13H2,1-2H3/b17-9+
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 70n/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