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PubMed code 18800048

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300028
PNG
(CHEMBL569864 | N-(1-benzylpiperidin-4-yl)-6,7-dime...)
Show SMILES COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C28H38N6O2/c1-32-12-7-13-34(17-16-32)28-30-24-19-26(36-3)25(35-2)18-23(24)27(31-28)29-22-10-14-33(15-11-22)20-21-8-5-4-6-9-21/h4-6,8-9,18-19,22H,7,10-17,20H2,1-3H3,(H,29,30,31)
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PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Johns Hopkins UniversitySchool of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant G9a


Nat Chem Biol 4: 590-7 (2008)


Article DOI: 10.1038/nchembio.111
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Johns Hopkins UniversitySchool of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SirT2


Nat Chem Biol 4: 590-7 (2008)


Article DOI: 10.1038/nchembio.111
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50300028
PNG
(CHEMBL569864 | N-(1-benzylpiperidin-4-yl)-6,7-dime...)
Show SMILES COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C28H38N6O2/c1-32-12-7-13-34(17-16-32)28-30-24-19-26(36-3)25(35-2)18-23(24)27(31-28)29-22-10-14-33(15-11-22)20-21-8-5-4-6-9-21/h4-6,8-9,18-19,22H,7,10-17,20H2,1-3H3,(H,29,30,31)
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PubMed
n/an/a 3.80E+4n/an/an/an/an/an/a



Johns Hopkins UniversitySchool of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Histone H3 lysine 9 of GLP methyltransferase


Nat Chem Biol 4: 590-7 (2008)


Article DOI: 10.1038/nchembio.111
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50228363
PNG
(CHEMBL257991 | N-(2-(3-(piperazin-1-ylmethyl)imida...)
Show SMILES O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1
Show InChI InChI=1S/C25H23N7OS/c33-24(22-13-27-20-7-3-4-8-21(20)28-22)29-19-6-2-1-5-18(19)23-15-32-17(16-34-25(32)30-23)14-31-11-9-26-10-12-31/h1-8,13,15-16,26H,9-12,14H2,(H,29,33)
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n/an/an/an/a 160n/an/an/an/a



Johns Hopkins UniversitySchool of Medicine

Curated by ChEMBL


Assay Description
Activation of human SirT2 protein fluorescence polarization assay


Nat Chem Biol 4: 590-7 (2008)


Article DOI: 10.1038/nchembio.111
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%