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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50044814   
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 1


(Mus musculus)
BDBM50031315
PNG
(CHEMBL3358028)
Show SMILES CC(C)NCC(O)COC(Cn1c2ccccc2c2ccccc12)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C33H35N3O2/c1-23(2)34-19-24(37)22-38-25(20-35-30-15-7-3-11-26(30)27-12-4-8-16-31(27)35)21-36-32-17-9-5-13-28(32)29-14-6-10-18-33(29)36/h3-18,23-25,34,37H,19-22H2,1-2H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged mouse DNMT1 (731 to 1602 residues) expressed in Escherichia coli BL21 (DE3) incubated for 15 mins before additio...


J Med Chem 57: 9028-41 (2014)


Article DOI: 10.1021/jm501134e
BindingDB Entry DOI: 10.7270/Q2JD4ZD6
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Mus musculus)
BDBM50031320
PNG
(CHEMBL3358030)
Show SMILES CC(C)NC[C@H](O)COC(Cn1c2ccccc2c2ccccc12)Cn1c2ccccc2c2ccccc12 |r|
Show InChI InChI=1S/C33H35N3O2/c1-23(2)34-19-24(37)22-38-25(20-35-30-15-7-3-11-26(30)27-12-4-8-16-31(27)35)21-36-32-17-9-5-13-28(32)29-14-6-10-18-33(29)36/h3-18,23-25,34,37H,19-22H2,1-2H3/t24-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged mouse DNMT1 (731 to 1602 residues) expressed in Escherichia coli BL21 (DE3) incubated for 15 mins before additio...


J Med Chem 57: 9028-41 (2014)


Article DOI: 10.1021/jm501134e
BindingDB Entry DOI: 10.7270/Q2JD4ZD6
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Mus musculus)
BDBM43255
PNG
(1-(3,6-dichloro-9-carbazolyl)-3-[2-(3H-indol-3-yl)...)
Show SMILES OC(CNCCc1c[nH]c2ccccc12)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc12
Show InChI InChI=1S/C25H23Cl2N3O/c26-17-5-7-24-21(11-17)22-12-18(27)6-8-25(22)30(24)15-19(31)14-28-10-9-16-13-29-23-4-2-1-3-20(16)23/h1-8,11-13,19,28-29,31H,9-10,14-15H2
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n/an/a 2.50E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged mouse DNMT1 (731 to 1602 residues) expressed in Escherichia coli BL21 (DE3) incubated for 15 mins before additio...


J Med Chem 57: 9028-41 (2014)


Article DOI: 10.1021/jm501134e
BindingDB Entry DOI: 10.7270/Q2JD4ZD6
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Mus musculus)
BDBM50031321
PNG
(CHEMBL3358029)
Show SMILES CC(C)NC[C@@H](O)COC(Cn1c2ccccc2c2ccccc12)Cn1c2ccccc2c2ccccc12 |r|
Show InChI InChI=1S/C33H35N3O2/c1-23(2)34-19-24(37)22-38-25(20-35-30-15-7-3-11-26(30)27-12-4-8-16-31(27)35)21-36-32-17-9-5-13-28(32)29-14-6-10-18-33(29)36/h3-18,23-25,34,37H,19-22H2,1-2H3/t24-/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged mouse DNMT1 (731 to 1602 residues) expressed in Escherichia coli BL21 (DE3) incubated for 15 mins before additio...


J Med Chem 57: 9028-41 (2014)


Article DOI: 10.1021/jm501134e
BindingDB Entry DOI: 10.7270/Q2JD4ZD6
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Mus musculus)
BDBM50031331
PNG
(CHEMBL3358016)
Show SMILES O[C@H](CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc12 |r|
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n/an/a 7.30E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged mouse DNMT1 (731 to 1602 residues) expressed in Escherichia coli BL21 (DE3) incubated for 15 mins before additio...


J Med Chem 57: 9028-41 (2014)


Article DOI: 10.1021/jm501134e
BindingDB Entry DOI: 10.7270/Q2JD4ZD6
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Mus musculus)
BDBM50031317
PNG
(CHEMBL3358015)
Show SMILES OC(CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc12
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n/an/a 1.03E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged mouse DNMT1 (731 to 1602 residues) expressed in Escherichia coli BL21 (DE3) incubated for 15 mins before additio...


J Med Chem 57: 9028-41 (2014)


Article DOI: 10.1021/jm501134e
BindingDB Entry DOI: 10.7270/Q2JD4ZD6
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Mus musculus)
BDBM50031325
PNG
(CHEMBL3358023)
Show SMILES OCCNCC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc12
Show InChI InChI=1S/C17H18Br2N2O2/c18-11-1-3-16-14(7-11)15-8-12(19)2-4-17(15)21(16)10-13(23)9-20-5-6-22/h1-4,7-8,13,20,22-23H,5-6,9-10H2
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n/an/a 1.41E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged mouse DNMT1 (731 to 1602 residues) expressed in Escherichia coli BL21 (DE3) incubated for 15 mins before additio...


J Med Chem 57: 9028-41 (2014)


Article DOI: 10.1021/jm501134e
BindingDB Entry DOI: 10.7270/Q2JD4ZD6
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Mus musculus)
BDBM50031329
PNG
(CHEMBL3358017)
Show SMILES O[C@@H](CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc12 |r|
Show InChI InChI=1S/C25H25N3O/c29-19(16-26-14-13-18-15-27-23-10-4-1-7-20(18)23)17-28-24-11-5-2-8-21(24)22-9-3-6-12-25(22)28/h1-12,15,19,26-27,29H,13-14,16-17H2/t19-/m0/s1
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n/an/a 1.56E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged mouse DNMT1 (731 to 1602 residues) expressed in Escherichia coli BL21 (DE3) incubated for 15 mins before additio...


J Med Chem 57: 9028-41 (2014)


Article DOI: 10.1021/jm501134e
BindingDB Entry DOI: 10.7270/Q2JD4ZD6
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Mus musculus)
BDBM50031328
PNG
(CHEMBL3358020)
Show SMILES OC(CNCCc1ccccc1)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C23H24N2O/c26-19(16-24-15-14-18-8-2-1-3-9-18)17-25-22-12-6-4-10-20(22)21-11-5-7-13-23(21)25/h1-13,19,24,26H,14-17H2
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n/an/a 2.07E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged mouse DNMT1 (731 to 1602 residues) expressed in Escherichia coli BL21 (DE3) incubated for 15 mins before additio...


J Med Chem 57: 9028-41 (2014)


Article DOI: 10.1021/jm501134e
BindingDB Entry DOI: 10.7270/Q2JD4ZD6
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Mus musculus)
BDBM50031327
PNG
(CHEMBL3358021)
Show SMILES COCCNCC(O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C18H22N2O2/c1-22-11-10-19-12-14(21)13-20-17-8-4-2-6-15(17)16-7-3-5-9-18(16)20/h2-9,14,19,21H,10-13H2,1H3
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n/an/a 2.96E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged mouse DNMT1 (731 to 1602 residues) expressed in Escherichia coli BL21 (DE3) incubated for 15 mins before additio...


J Med Chem 57: 9028-41 (2014)


Article DOI: 10.1021/jm501134e
BindingDB Entry DOI: 10.7270/Q2JD4ZD6
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371]


(Homo sapiens (Human))
BDBM50031317
PNG
(CHEMBL3358015)
Show SMILES OC(CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc12
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n/an/a 3.71E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PRMT1 (unknown origin) incubated for 15 mins before addition of biotinylated peptide H3 (1 to 21) and SAM by methylation assay


J Med Chem 57: 9028-41 (2014)


Article DOI: 10.1021/jm501134e
BindingDB Entry DOI: 10.7270/Q2JD4ZD6
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Mus musculus)
BDBM50031322
PNG
(CHEMBL3358027)
Show SMILES CC(C)(CO)CC(O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C19H23NO2/c1-19(2,13-21)11-14(22)12-20-17-9-5-3-7-15(17)16-8-4-6-10-18(16)20/h3-10,14,21-22H,11-13H2,1-2H3
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n/an/a 7.09E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged mouse DNMT1 (731 to 1602 residues) expressed in Escherichia coli BL21 (DE3) incubated for 15 mins before additio...


J Med Chem 57: 9028-41 (2014)


Article DOI: 10.1021/jm501134e
BindingDB Entry DOI: 10.7270/Q2JD4ZD6
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Mus musculus)
BDBM50031318
PNG
(CHEMBL1911321)
Show SMILES OC(CNCc1ccccc1)Cn1c2CCCCc2c2ccccc12
Show InChI InChI=1S/C22H26N2O/c25-18(15-23-14-17-8-2-1-3-9-17)16-24-21-12-6-4-10-19(21)20-11-5-7-13-22(20)24/h1-4,6,8-10,12,18,23,25H,5,7,11,13-16H2
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n/an/a 8.09E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged mouse DNMT1 (731 to 1602 residues) expressed in Escherichia coli BL21 (DE3) incubated for 15 mins before additio...


J Med Chem 57: 9028-41 (2014)


Article DOI: 10.1021/jm501134e
BindingDB Entry DOI: 10.7270/Q2JD4ZD6
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Mus musculus)
BDBM50031323
PNG
(CHEMBL1557883)
Show SMILES CC1CCN(CC(O)Cn2c3ccccc3c3ccccc23)CC1
Show InChI InChI=1S/C21H26N2O/c1-16-10-12-22(13-11-16)14-17(24)15-23-20-8-4-2-6-18(20)19-7-3-5-9-21(19)23/h2-9,16-17,24H,10-15H2,1H3
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n/an/a 8.41E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged mouse DNMT1 (731 to 1602 residues) expressed in Escherichia coli BL21 (DE3) incubated for 15 mins before additio...


J Med Chem 57: 9028-41 (2014)


Article DOI: 10.1021/jm501134e
BindingDB Entry DOI: 10.7270/Q2JD4ZD6
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50031317
PNG
(CHEMBL3358015)
Show SMILES OC(CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc12
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n/an/a>1.50E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of G9a (unknown origin) incubated for 15 mins before addition of biotinylated peptide H3 (1 to 21) and SAM by methylation assay


J Med Chem 57: 9028-41 (2014)


Article DOI: 10.1021/jm501134e
BindingDB Entry DOI: 10.7270/Q2JD4ZD6
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase 2A


(Homo sapiens (Human))
BDBM50031317
PNG
(CHEMBL3358015)
Show SMILES OC(CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc12
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n/an/a>1.50E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of MLL1 (unknown origin) incubated for 15 mins before addition of biotinylated peptide H3 (1 to 21) and SAM by methylation assay


J Med Chem 57: 9028-41 (2014)


Article DOI: 10.1021/jm501134e
BindingDB Entry DOI: 10.7270/Q2JD4ZD6
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens (Human))
BDBM50031317
PNG
(CHEMBL3358015)
Show SMILES OC(CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc12
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n/an/a>1.50E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of SET7/9 (unknown origin) incubated for 15 mins before addition of biotinylated peptide H3 (1 to 21) and SAM by methylation assay


J Med Chem 57: 9028-41 (2014)


Article DOI: 10.1021/jm501134e
BindingDB Entry DOI: 10.7270/Q2JD4ZD6
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SUV39H1


(Homo sapiens (Human))
BDBM50031317
PNG
(CHEMBL3358015)
Show SMILES OC(CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc12
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n/an/a>1.50E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of SUV39H1 (unknown origin) incubated for 15 mins before addition of biotinylated peptide H3 (1 to 21) and SAM by methylation assay


J Med Chem 57: 9028-41 (2014)


Article DOI: 10.1021/jm501134e
BindingDB Entry DOI: 10.7270/Q2JD4ZD6
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens (Human))
BDBM50031317
PNG
(CHEMBL3358015)
Show SMILES OC(CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc12
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n/an/a>2.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DNMT3B (unknown origin) incubated for 15 mins before addition of [3H]-SAM and poly(dI-dC).poly(dI-dC) by liquid scintillation counting ...


J Med Chem 57: 9028-41 (2014)


Article DOI: 10.1021/jm501134e
BindingDB Entry DOI: 10.7270/Q2JD4ZD6
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A


(Homo sapiens (Human))
BDBM50031317
PNG
(CHEMBL3358015)
Show SMILES OC(CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc12
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n/an/a>2.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DNMT3A (unknown origin) incubated for 15 mins before addition of [3H]-SAM and poly(dI-dC).poly(dI-dC) by liquid scintillation counting ...


J Med Chem 57: 9028-41 (2014)


Article DOI: 10.1021/jm501134e
BindingDB Entry DOI: 10.7270/Q2JD4ZD6
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Mus musculus)
BDBM50031317
PNG
(CHEMBL3358015)
Show SMILES OC(CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc12
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n/an/an/a 1.09E+3n/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged mouse DNMT1 (731 to 1602 residues) expressed in Escherichia coli BL21 (DE3) by SPR assay


J Med Chem 57: 9028-41 (2014)


Article DOI: 10.1021/jm501134e
BindingDB Entry DOI: 10.7270/Q2JD4ZD6
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Mus musculus)
BDBM50031315
PNG
(CHEMBL3358028)
Show SMILES CC(C)NCC(O)COC(Cn1c2ccccc2c2ccccc12)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C33H35N3O2/c1-23(2)34-19-24(37)22-38-25(20-35-30-15-7-3-11-26(30)27-12-4-8-16-31(27)35)21-36-32-17-9-5-13-28(32)29-14-6-10-18-33(29)36/h3-18,23-25,34,37H,19-22H2,1-2H3
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n/an/an/a 910n/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged mouse DNMT1 (731 to 1602 residues) expressed in Escherichia coli BL21 (DE3) by SPR assay


J Med Chem 57: 9028-41 (2014)


Article DOI: 10.1021/jm501134e
BindingDB Entry DOI: 10.7270/Q2JD4ZD6
More data for this
Ligand-Target Pair