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PubMed code 27899265

Compile data set for download or QSAR
Found 3 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
DNA (cytosine-5)-methyltransferase 3A


(Homo sapiens (Human))		BDBM50206867
PNG
(CHEMBL3971712)
Show SMILES OC(=O)c1ccc(Cl)cc1N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C23H12BrClN2O7/c24-11-2-6-17(16(8-11)23(33)34)26-19(28)10-1-4-13-15(7-10)21(30)27(20(13)29)18-9-12(25)3-5-14(18)22(31)32/h1-9H,(H,26,28)(H,31,32)(H,33,34)
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PubMed
n/an/a 4.10E+4n/an/an/an/an/an/a



University of Science and Technology of China

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged DNMT3A (623 to 908 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) coexpressing DNMT3L (160 ...

Bioorg Med Chem Lett 27: 342-346 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.023
BindingDB Entry DOI: 10.7270/Q2N87CSS
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A


(Homo sapiens (Human))		BDBM50206868
PNG
(CHEMBL1424505)
Show SMILES CC(N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccc(Br)cc1C(O)=O)c1ccccc1
Show InChI InChI=1S/C24H17BrN2O5/c1-13(14-5-3-2-4-6-14)27-22(29)17-9-7-15(11-18(17)23(27)30)21(28)26-20-10-8-16(25)12-19(20)24(31)32/h2-13H,1H3,(H,26,28)(H,31,32)
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PubMed
n/an/a 4.65E+4n/an/an/an/an/an/a



University of Science and Technology of China

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged DNMT3A (623 to 908 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) coexpressing DNMT3L (160 ...

Bioorg Med Chem Lett 27: 342-346 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.023
BindingDB Entry DOI: 10.7270/Q2N87CSS
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A


(Homo sapiens (Human))		BDBM50206866
PNG
(CHEMBL3922548)
Show SMILES OC(=O)c1ccc(NC(=O)c2ccc3C(=O)N(Cc4ccco4)C(=O)c3c2)cc1
Show InChI InChI=1S/C21H14N2O6/c24-18(22-14-6-3-12(4-7-14)21(27)28)13-5-8-16-17(10-13)20(26)23(19(16)25)11-15-2-1-9-29-15/h1-10H,11H2,(H,22,24)(H,27,28)
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n/an/a 6.40E+4n/an/an/an/an/an/a



University of Science and Technology of China

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged DNMT3A (623 to 908 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) coexpressing DNMT3L (160 ...

Bioorg Med Chem Lett 27: 342-346 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.023
BindingDB Entry DOI: 10.7270/Q2N87CSS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%