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SMILES: COc1ccc(Cc2c(C)[nH]n(-c3nc4ccc(C)cc4[nH]3)c2=O)cc1

InChI Key: InChIKey=WNXGSAHREKLRMM-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50447948   
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
Alpha-ketoglutarate-dependent dioxygenase alkB homolog 3


(Homo sapiens (Human))
BDBM50447948
PNG
(CHEMBL3115013)
Show SMILES COc1ccc(Cc2c(C)[nH]n(-c3nc4ccc(C)cc4[nH]3)c2=O)cc1
Show InChI InChI=1S/C20H20N4O2/c1-12-4-9-17-18(10-12)22-20(21-17)24-19(25)16(13(2)23-24)11-14-5-7-15(26-3)8-6-14/h4-10,23H,11H2,1-3H3,(H,21,22)
PDB
MMDB

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Article
PubMed
n/an/a 680n/an/an/an/an/an/a



Hyogo University of Health Science

Curated by ChEMBL


Assay Description
Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysis


Bioorg Med Chem Lett 24: 1071-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.008
BindingDB Entry DOI: 10.7270/Q2FF3TVD
More data for this
Ligand-Target Pair