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Compile Data Set for Download or QSAR

Found 82 hits with Last Name = 'arimondo' and Initial = 'pb'   
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))
BDBM50446376
PNG
(CHEMBL3109630)
Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 |t:19|
Show InChI InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)
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n/an/a 3.30n/an/an/an/an/an/a



CNRS-Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of G9a (unknown origin)


J Med Chem 58: 2569-83 (2015)


Article DOI: 10.1021/jm500843d
BindingDB Entry DOI: 10.7270/Q24T6M36
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50448484
PNG
(CHEMBL3126646)
Show SMILES Cc1cc(Nc2cccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)c2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-14-25(34-27(28)30-17)32-20-8-5-9-21(16-20)33-26(35)18-6-4-7-19(15-18)31-24-12-13-29-23-11-3-2-10-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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n/an/a 120n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal 600 residues-deleted DNMT1 using poly(dI-dC) as substrate in presence of AdoMet


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50448487
PNG
(CHEMBL2385821)
Show SMILES Cc1cc(Nc2cccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)c2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-15-25(34-27(28)30-17)32-20-5-4-6-21(16-20)33-26(35)18-9-11-19(12-10-18)31-24-13-14-29-23-8-3-2-7-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal 600 residues-deleted DNMT1 using poly(dI-dC) as substrate in presence of AdoMet


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens (Human))
BDBM50075103
PNG
(CHEBI:48202 | NANAFROCIN | Nanafrocin)
Show SMILES C[C@@H]1O[C@@H](CC(O)=O)CC2=C1C(=O)c1c(O)cccc1C2=O |c:9|
Show InChI InChI=1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)/t7-,8+/m0/s1
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n/an/a 500n/an/an/an/an/an/a



CNRS-Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant DNMT3b expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-bio...


J Med Chem 58: 2569-83 (2015)


Article DOI: 10.1021/jm500843d
BindingDB Entry DOI: 10.7270/Q24T6M36
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



CNRS-Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant DNMT1 expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-biot...


J Med Chem 58: 2569-83 (2015)


Article DOI: 10.1021/jm500843d
BindingDB Entry DOI: 10.7270/Q24T6M36
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50448489
PNG
(CHEMBL3126651)
Show SMILES O=C(Nc1ccc(Nc2ccnc3ccccc23)cc1)c1ccc(Nc2ccnc3ccccc23)cc1
Show InChI InChI=1S/C31H23N5O/c37-31(21-9-11-22(12-10-21)34-29-17-19-32-27-7-3-1-5-25(27)29)36-24-15-13-23(14-16-24)35-30-18-20-33-28-8-4-2-6-26(28)30/h1-20H,(H,32,34)(H,33,35)(H,36,37)
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n/an/a 650n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal 600 residues-deleted DNMT1 using poly(dI-dC) as substrate in presence of AdoMet


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50430056
PNG
(CHEMBL2336409 | SGI-1027)
Show SMILES Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cc2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-16-25(34-27(28)30-17)32-20-10-12-21(13-11-20)33-26(35)18-6-8-19(9-7-18)31-24-14-15-29-23-5-3-2-4-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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n/an/a 850n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal 600 residues-deleted DNMT1 using poly(dI-dC) as substrate in presence of AdoMet


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM24774
PNG
(2,3-dichloro-1,4-dihydronaphthalene-1,4-dione | 2,...)
Show SMILES ClC1=C(Cl)C(=O)c2ccccc2C1=O |c:1|
Show InChI InChI=1S/C10H4Cl2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H
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n/an/a 1.60E+3n/an/an/an/an/an/a



CNRS-Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant DNMT1 expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-biot...


J Med Chem 58: 2569-83 (2015)


Article DOI: 10.1021/jm500843d
BindingDB Entry DOI: 10.7270/Q24T6M36
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50448488
PNG
(CHEMBL3126652)
Show SMILES Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4cc(C)nc(N)n4)cc3)cc2)nc(N)n1
Show InChI InChI=1S/C23H23N9O/c1-13-11-19(31-22(24)26-13)28-16-5-3-15(4-6-16)21(33)30-18-9-7-17(8-10-18)29-20-12-14(2)27-23(25)32-20/h3-12H,1-2H3,(H,30,33)(H3,24,26,28,31)(H3,25,27,29,32)
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n/an/a 2.23E+3n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal 600 residues-deleted DNMT1 using poly(dI-dC) as substrate in presence of AdoMet


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
DNMT3A2/3L complex


(Homo sapiens (Human))
BDBM50448484
PNG
(CHEMBL3126646)
Show SMILES Cc1cc(Nc2cccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)c2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-14-25(34-27(28)30-17)32-20-8-5-9-21(16-20)33-26(35)18-6-4-7-19(15-18)31-24-12-13-29-23-11-3-2-10-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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n/an/a 2.80E+3n/an/an/an/an/an/a



CNRS-Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant DNMT3a expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-bio...


J Med Chem 58: 2569-83 (2015)


Article DOI: 10.1021/jm500843d
BindingDB Entry DOI: 10.7270/Q24T6M36
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3-like


(Homo sapiens (Human))
BDBM50448484
PNG
(CHEMBL3126646)
Show SMILES Cc1cc(Nc2cccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)c2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-14-25(34-27(28)30-17)32-20-8-5-9-21(16-20)33-26(35)18-6-4-7-19(15-18)31-24-12-13-29-23-11-3-2-10-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human DNMT3A2/3L using unmethylated DNA as substrate in presence of [methyl-3H]-AdoMet


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50075193
PNG
(CHEMBL3414630)
Show SMILES CCN(CC)CCNC(=O)c1ccc(NCCCCCCCCCCCCN2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C33H48N4O3/c1-3-36(4-2)26-24-35-31(38)27-19-21-28(22-20-27)34-23-15-11-9-7-5-6-8-10-12-16-25-37-32(39)29-17-13-14-18-30(29)33(37)40/h13-14,17-22,34H,3-12,15-16,23-26H2,1-2H3,(H,35,38)
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n/an/a 4.00E+3n/an/an/an/an/an/a



CNRS-Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant DNMT1 expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-biot...


J Med Chem 58: 2569-83 (2015)


Article DOI: 10.1021/jm500843d
BindingDB Entry DOI: 10.7270/Q24T6M36
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50448485
PNG
(CHEMBL3126645)
Show SMILES Cc1cc(Nc2ccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)cc2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-15-25(34-27(28)30-17)32-19-9-11-20(12-10-19)33-26(35)18-5-4-6-21(16-18)31-24-13-14-29-23-8-3-2-7-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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n/an/a 4.11E+3n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal 600 residues-deleted DNMT1 using poly(dI-dC) as substrate in presence of AdoMet


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50430056
PNG
(CHEMBL2336409 | SGI-1027)
Show SMILES Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cc2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-16-25(34-27(28)30-17)32-20-10-12-21(13-11-20)33-26(35)18-6-8-19(9-7-18)31-24-14-15-29-23-5-3-2-4-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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n/an/a 6.00E+3n/an/an/an/an/an/a



CNRS-Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant DNMT1 expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-biot...


J Med Chem 58: 2569-83 (2015)


Article DOI: 10.1021/jm500843d
BindingDB Entry DOI: 10.7270/Q24T6M36
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens (Human))
BDBM50430056
PNG
(CHEMBL2336409 | SGI-1027)
Show SMILES Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cc2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-16-25(34-27(28)30-17)32-20-10-12-21(13-11-20)33-26(35)18-6-8-19(9-7-18)31-24-14-15-29-23-5-3-2-4-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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n/an/a 7.50E+3n/an/an/an/an/an/a



CNRS-Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant DNMT3b expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-bio...


J Med Chem 58: 2569-83 (2015)


Article DOI: 10.1021/jm500843d
BindingDB Entry DOI: 10.7270/Q24T6M36
More data for this
Ligand-Target Pair
DNMT3A2/3L complex


(Homo sapiens (Human))
BDBM50430056
PNG
(CHEMBL2336409 | SGI-1027)
Show SMILES Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cc2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-16-25(34-27(28)30-17)32-20-10-12-21(13-11-20)33-26(35)18-6-8-19(9-7-18)31-24-14-15-29-23-5-3-2-4-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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n/an/a 8.00E+3n/an/an/an/an/an/a



CNRS-Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant DNMT3a expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-bio...


J Med Chem 58: 2569-83 (2015)


Article DOI: 10.1021/jm500843d
BindingDB Entry DOI: 10.7270/Q24T6M36
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50448484
PNG
(CHEMBL3126646)
Show SMILES Cc1cc(Nc2cccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)c2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-14-25(34-27(28)30-17)32-20-8-5-9-21(16-20)33-26(35)18-6-4-7-19(15-18)31-24-12-13-29-23-11-3-2-10-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal 600 residues-deleted DNMT1 using hemimethylated (GAC)12 as substrate preincubated for 5 mins followed by substrate add...


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50448484
PNG
(CHEMBL3126646)
Show SMILES Cc1cc(Nc2cccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)c2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-14-25(34-27(28)30-17)32-20-8-5-9-21(16-20)33-26(35)18-6-4-7-19(15-18)31-24-12-13-29-23-11-3-2-10-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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n/an/a 9.00E+3n/an/an/an/an/an/a



CNRS-Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant DNMT1 expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-biot...


J Med Chem 58: 2569-83 (2015)


Article DOI: 10.1021/jm500843d
BindingDB Entry DOI: 10.7270/Q24T6M36
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3-like


(Homo sapiens (Human))
BDBM50430056
PNG
(CHEMBL2336409 | SGI-1027)
Show SMILES Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cc2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-16-25(34-27(28)30-17)32-20-10-12-21(13-11-20)33-26(35)18-6-8-19(9-7-18)31-24-14-15-29-23-5-3-2-4-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human DNMT3A2/3L using unmethylated DNA as substrate in presence of [methyl-3H]-AdoMet


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50075182
PNG
(CHEMBL3414633)
Show SMILES Oc1ccc(NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)c2ccccc12
Show InChI InChI=1S/C16H11ClN2O5S/c17-13-6-5-10(9-15(13)19(21)22)25(23,24)18-14-7-8-16(20)12-4-2-1-3-11(12)14/h1-9,18,20H
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n/an/a 1.20E+4n/an/an/an/an/an/a



CNRS-Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant DNMT1 expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-biot...


J Med Chem 58: 2569-83 (2015)


Article DOI: 10.1021/jm500843d
BindingDB Entry DOI: 10.7270/Q24T6M36
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50448493
PNG
(CHEMBL3126648)
Show SMILES Cc1cc(Nc2ccc(NC(=O)c3ccccc3Nc3ccnc4ccccc34)cc2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-16-25(34-27(28)30-17)31-18-10-12-19(13-11-18)32-26(35)21-7-3-5-9-23(21)33-24-14-15-29-22-8-4-2-6-20(22)24/h2-16H,1H3,(H,29,33)(H,32,35)(H3,28,30,31,34)
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n/an/a 1.23E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal 600 residues-deleted DNMT1 using poly(dI-dC) as substrate in presence of AdoMet


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
DNMT3A2/3L complex


(Homo sapiens (Human))
BDBM50448488
PNG
(CHEMBL3126652)
Show SMILES Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4cc(C)nc(N)n4)cc3)cc2)nc(N)n1
Show InChI InChI=1S/C23H23N9O/c1-13-11-19(31-22(24)26-13)28-16-5-3-15(4-6-16)21(33)30-18-9-7-17(8-10-18)29-20-12-14(2)27-23(25)32-20/h3-12H,1-2H3,(H,30,33)(H3,24,26,28,31)(H3,25,27,29,32)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human DNMT3A2/3L using unmethylated DNA as substrate in presence of [methyl-3H]-AdoMet


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50075185
PNG
(CHEMBL3414632)
Show SMILES CC(=O)NCCc1ccc(O)c(c1)-c1cc2C(=O)c3c(cc(O)c(C(O)=O)c3C(O)=O)C(=O)c2c(O)c1O
Show InChI InChI=1S/C26H19NO11/c1-9(28)27-5-4-10-2-3-15(29)11(6-10)12-7-13-18(24(34)23(12)33)22(32)14-8-16(30)19(25(35)36)20(26(37)38)17(14)21(13)31/h2-3,6-8,29-30,33-34H,4-5H2,1H3,(H,27,28)(H,35,36)(H,37,38)
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n/an/a 1.90E+4n/an/an/an/an/an/a



CNRS-Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant DNMT1 expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-biot...


J Med Chem 58: 2569-83 (2015)


Article DOI: 10.1021/jm500843d
BindingDB Entry DOI: 10.7270/Q24T6M36
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50075192
PNG
(CHEMBL3414631)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)C=CC1=O |r,c:19|
Show InChI InChI=1/C15H12N2O4/c18-13-5-6-14(19)17(13)12(15(20)21)7-9-8-16-11-4-2-1-3-10(9)11/h1-6,8,12,16H,7H2,(H,20,21)/t12-/s2
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n/an/a 2.00E+4n/an/an/an/an/an/a



CNRS-Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant DNMT1 expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-biot...


J Med Chem 58: 2569-83 (2015)


Article DOI: 10.1021/jm500843d
BindingDB Entry DOI: 10.7270/Q24T6M36
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3-like


(Homo sapiens (Human))
BDBM50448487
PNG
(CHEMBL2385821)
Show SMILES Cc1cc(Nc2cccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)c2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-15-25(34-27(28)30-17)32-20-5-4-6-21(16-20)33-26(35)18-9-11-19(12-10-18)31-24-13-14-29-23-8-3-2-7-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human DNMT3A2/3L using unmethylated DNA as substrate in presence of [methyl-3H]-AdoMet


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3-like


(Homo sapiens (Human))
BDBM50448489
PNG
(CHEMBL3126651)
Show SMILES O=C(Nc1ccc(Nc2ccnc3ccccc23)cc1)c1ccc(Nc2ccnc3ccccc23)cc1
Show InChI InChI=1S/C31H23N5O/c37-31(21-9-11-22(12-10-21)34-29-17-19-32-27-7-3-1-5-25(27)29)36-24-15-13-23(14-16-24)35-30-18-20-33-28-8-4-2-6-26(28)30/h1-20H,(H,32,34)(H,33,35)(H,36,37)
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n/an/a 2.70E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human DNMT3A2/3L using unmethylated DNA as substrate in presence of [methyl-3H]-AdoMet


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50448491
PNG
(CHEMBL3126653)
Show SMILES Nc1ccc(NC(=O)c2ccc(Nc3ccnc4ccccc34)cc2)cc1
Show InChI InChI=1S/C22H18N4O/c23-16-7-11-18(12-8-16)26-22(27)15-5-9-17(10-6-15)25-21-13-14-24-20-4-2-1-3-19(20)21/h1-14H,23H2,(H,24,25)(H,26,27)
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n/an/a 2.79E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal 600 residues-deleted DNMT1 using poly(dI-dC) as substrate in presence of AdoMet


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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n/an/a 3.00E+4n/an/an/an/an/an/a



CNRS-Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant DNMT1 expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-biot...


J Med Chem 58: 2569-83 (2015)


Article DOI: 10.1021/jm500843d
BindingDB Entry DOI: 10.7270/Q24T6M36
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50448489
PNG
(CHEMBL3126651)
Show SMILES O=C(Nc1ccc(Nc2ccnc3ccccc23)cc1)c1ccc(Nc2ccnc3ccccc23)cc1
Show InChI InChI=1S/C31H23N5O/c37-31(21-9-11-22(12-10-21)34-29-17-19-32-27-7-3-1-5-25(27)29)36-24-15-13-23(14-16-24)35-30-18-20-33-28-8-4-2-6-26(28)30/h1-20H,(H,32,34)(H,33,35)(H,36,37)
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n/an/a 3.30E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal 600 residues-deleted DNMT1 using hemimethylated (GAC)12 as substrate preincubated for 5 mins followed by substrate add...


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50448486
PNG
(CHEMBL3126644)
Show SMILES Cc1cc(Nc2ccccc2NC(=O)c2ccc(Nc3ccnc4ccccc34)cc2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-16-25(34-27(28)30-17)32-23-8-4-5-9-24(23)33-26(35)18-10-12-19(13-11-18)31-22-14-15-29-21-7-3-2-6-20(21)22/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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n/an/a 3.50E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal 600 residues-deleted DNMT1 using poly(dI-dC) as substrate in presence of AdoMet


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50430056
PNG
(CHEMBL2336409 | SGI-1027)
Show SMILES Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cc2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-16-25(34-27(28)30-17)32-20-10-12-21(13-11-20)33-26(35)18-6-8-19(9-7-18)31-24-14-15-29-23-5-3-2-4-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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n/an/a 3.50E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal 600 residues-deleted DNMT1 using hemimethylated (GAC)12 as substrate preincubated for 5 mins followed by substrate add...


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
DNMT3A2/3L complex


(Homo sapiens (Human))
BDBM50075182
PNG
(CHEMBL3414633)
Show SMILES Oc1ccc(NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)c2ccccc12
Show InChI InChI=1S/C16H11ClN2O5S/c17-13-6-5-10(9-15(13)19(21)22)25(23,24)18-14-7-8-16(20)12-4-2-1-3-11(12)14/h1-9,18,20H
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n/an/a 3.80E+4n/an/an/an/an/an/a



CNRS-Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant DNMT3a expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-bio...


J Med Chem 58: 2569-83 (2015)


Article DOI: 10.1021/jm500843d
BindingDB Entry DOI: 10.7270/Q24T6M36
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50448492
PNG
(CHEMBL3126649)
Show SMILES Cc1cc(Nc2cccc(NC(=O)c3ccccc3Nc3ccnc4ccccc34)c2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-15-25(34-27(28)30-17)31-18-7-6-8-19(16-18)32-26(35)21-10-3-5-12-23(21)33-24-13-14-29-22-11-4-2-9-20(22)24/h2-16H,1H3,(H,29,33)(H,32,35)(H3,28,30,31,34)
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n/an/a 3.86E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal 600 residues-deleted DNMT1 using poly(dI-dC) as substrate in presence of AdoMet


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3-like


(Homo sapiens (Human))
BDBM50448485
PNG
(CHEMBL3126645)
Show SMILES Cc1cc(Nc2ccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)cc2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-15-25(34-27(28)30-17)32-19-9-11-20(12-10-19)33-26(35)18-5-4-6-21(16-18)31-24-13-14-29-23-8-3-2-7-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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n/an/a 4.20E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human DNMT3A2/3L using unmethylated DNA as substrate in presence of [methyl-3H]-AdoMet


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
DNMT3A2/3L complex


(Homo sapiens (Human))
BDBM50075185
PNG
(CHEMBL3414632)
Show SMILES CC(=O)NCCc1ccc(O)c(c1)-c1cc2C(=O)c3c(cc(O)c(C(O)=O)c3C(O)=O)C(=O)c2c(O)c1O
Show InChI InChI=1S/C26H19NO11/c1-9(28)27-5-4-10-2-3-15(29)11(6-10)12-7-13-18(24(34)23(12)33)22(32)14-8-16(30)19(25(35)36)20(26(37)38)17(14)21(13)31/h2-3,6-8,29-30,33-34H,4-5H2,1H3,(H,27,28)(H,35,36)(H,37,38)
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n/an/a 5.00E+4n/an/an/an/an/an/a



CNRS-Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant DNMT3a expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-bio...


J Med Chem 58: 2569-83 (2015)


Article DOI: 10.1021/jm500843d
BindingDB Entry DOI: 10.7270/Q24T6M36
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50448487
PNG
(CHEMBL2385821)
Show SMILES Cc1cc(Nc2cccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)c2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-15-25(34-27(28)30-17)32-20-5-4-6-21(16-20)33-26(35)18-9-11-19(12-10-18)31-24-13-14-29-23-8-3-2-7-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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n/an/a 5.20E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal 600 residues-deleted DNMT1 using hemimethylated (GAC)12 as substrate preincubated for 5 mins followed by substrate add...


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50430056
PNG
(CHEMBL2336409 | SGI-1027)
Show SMILES Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cc2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-16-25(34-27(28)30-17)32-20-10-12-21(13-11-20)33-26(35)18-6-8-19(9-7-18)31-24-14-15-29-23-5-3-2-4-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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n/an/a 6.50E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human GLP (734 to 1235) using histone as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by liqu...


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50448488
PNG
(CHEMBL3126652)
Show SMILES Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4cc(C)nc(N)n4)cc3)cc2)nc(N)n1
Show InChI InChI=1S/C23H23N9O/c1-13-11-19(31-22(24)26-13)28-16-5-3-15(4-6-16)21(33)30-18-9-7-17(8-10-18)29-20-12-14(2)27-23(25)32-20/h3-12H,1-2H3,(H,30,33)(H3,24,26,28,31)(H3,25,27,29,32)
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n/an/a 6.80E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal 600 residues-deleted DNMT1 using hemimethylated (GAC)12 as substrate preincubated for 5 mins followed by substrate add...


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50448484
PNG
(CHEMBL3126646)
Show SMILES Cc1cc(Nc2cccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)c2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-14-25(34-27(28)30-17)32-20-8-5-9-21(16-20)33-26(35)18-6-4-7-19(15-18)31-24-12-13-29-23-11-3-2-10-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human GLP (734 to 1235) using histone as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by liqu...


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50448485
PNG
(CHEMBL3126645)
Show SMILES Cc1cc(Nc2ccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)cc2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-15-25(34-27(28)30-17)32-19-9-11-20(12-10-19)33-26(35)18-5-4-6-21(16-18)31-24-13-14-29-23-8-3-2-7-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human GLP (734 to 1235) using histone as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by liqu...


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1


(Rattus norvegicus)
BDBM50448484
PNG
(CHEMBL3126646)
Show SMILES Cc1cc(Nc2cccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)c2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-14-25(34-27(28)30-17)32-20-8-5-9-21(16-20)33-26(35)18-6-4-7-19(15-18)31-24-12-13-29-23-11-3-2-10-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant PRMT1 using histone as substrate preincubated for 5 mins followed by substrate addition measured after 6.5 mins by liqu...


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1


(Rattus norvegicus)
BDBM50430056
PNG
(CHEMBL2336409 | SGI-1027)
Show SMILES Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cc2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-16-25(34-27(28)30-17)32-20-10-12-21(13-11-20)33-26(35)18-6-8-19(9-7-18)31-24-14-15-29-23-5-3-2-4-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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n/an/a 1.39E+5n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant PRMT1 using histone as substrate preincubated for 5 mins followed by substrate addition measured after 6.5 mins by liqu...


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50357280
PNG
(CHEMBL1916517)
Show SMILES CN(C)CC1CC(=NO1)c1ccc(cc1)[N+]([O-])=O |c:6|
Show InChI InChI=1S/C12H15N3O3/c1-14(2)8-11-7-12(13-18-11)9-3-5-10(6-4-9)15(16)17/h3-6,11H,7-8H2,1-2H3
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n/an/a 1.50E+5n/an/an/an/an/an/a



CNRS-Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant DNMT1 expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-biot...


J Med Chem 58: 2569-83 (2015)


Article DOI: 10.1021/jm500843d
BindingDB Entry DOI: 10.7270/Q24T6M36
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50075194
PNG
(CHEMBL403716)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1=NC[C@H](CN2CCCC2)O1 |t:10|
Show InChI InChI=1S/C14H17N3O3/c18-17(19)12-5-3-11(4-6-12)14-15-9-13(20-14)10-16-7-1-2-8-16/h3-6,13H,1-2,7-10H2/t13-/m1/s1
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n/an/a 1.50E+5n/an/an/an/an/an/a



CNRS-Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant DNMT1 expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-biot...


J Med Chem 58: 2569-83 (2015)


Article DOI: 10.1021/jm500843d
BindingDB Entry DOI: 10.7270/Q24T6M36
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50448490
PNG
(CHEMBL3126654)
Show SMILES Cc1cc(Nc2ccc(NC(=O)c3ccc(N)cc3)cc2)nc(N)n1
Show InChI InChI=1S/C18H18N6O/c1-11-10-16(24-18(20)21-11)22-14-6-8-15(9-7-14)23-17(25)12-2-4-13(19)5-3-12/h2-10H,19H2,1H3,(H,23,25)(H3,20,21,22,24)
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n/an/a 1.73E+5n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal 600 residues-deleted DNMT1 using poly(dI-dC) as substrate in presence of AdoMet


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50448483
PNG
(CHEMBL3126647)
Show SMILES Cc1cc(Nc2ccccc2NC(=O)c2cccc(Nc3ccnc4ccccc34)c2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-15-25(34-27(28)30-17)32-23-11-4-5-12-24(23)33-26(35)18-7-6-8-19(16-18)31-22-13-14-29-21-10-3-2-9-20(21)22/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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n/an/a 1.74E+5n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal 600 residues-deleted DNMT1 using poly(dI-dC) as substrate in presence of AdoMet


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50448485
PNG
(CHEMBL3126645)
Show SMILES Cc1cc(Nc2ccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)cc2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-15-25(34-27(28)30-17)32-19-9-11-20(12-10-19)33-26(35)18-5-4-6-21(16-18)31-24-13-14-29-23-8-3-2-7-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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n/an/a 2.65E+5n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal 600 residues-deleted DNMT1 using hemimethylated (GAC)12 as substrate preincubated for 5 mins followed by substrate add...


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1


(Rattus norvegicus)
BDBM50448487
PNG
(CHEMBL2385821)
Show SMILES Cc1cc(Nc2cccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)c2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-15-25(34-27(28)30-17)32-20-5-4-6-21(16-20)33-26(35)18-9-11-19(12-10-18)31-24-13-14-29-23-8-3-2-7-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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n/an/a 3.00E+5n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant PRMT1 using histone as substrate preincubated for 5 mins followed by substrate addition measured after 6.5 mins by liqu...


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1


(Rattus norvegicus)
BDBM50448485
PNG
(CHEMBL3126645)
Show SMILES Cc1cc(Nc2ccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)cc2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-15-25(34-27(28)30-17)32-19-9-11-20(12-10-19)33-26(35)18-5-4-6-21(16-18)31-24-13-14-29-23-8-3-2-7-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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n/an/a 3.00E+5n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant PRMT1 using histone as substrate preincubated for 5 mins followed by substrate addition measured after 6.5 mins by liqu...


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1


(Rattus norvegicus)
BDBM50448486
PNG
(CHEMBL3126644)
Show SMILES Cc1cc(Nc2ccccc2NC(=O)c2ccc(Nc3ccnc4ccccc34)cc2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-16-25(34-27(28)30-17)32-23-8-4-5-9-24(23)33-26(35)18-10-12-19(13-11-18)31-22-14-15-29-21-7-3-2-6-20(21)22/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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n/an/a 3.00E+5n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant PRMT1 using histone as substrate preincubated for 5 mins followed by substrate addition measured after 6.5 mins by liqu...


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
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