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Compile Data Set for Download or QSAR

Found 9 hits with Last Name = 'lyko' and Initial = 'f'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens (Human))
BDBM50009672
PNG
(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
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n/an/a 250n/an/an/an/an/an/a



Deutsches Krebsforschungszentrum

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3B expressed in baculovirus-insect cell system by scintillation counting


Bioorg Med Chem 18: 822-9 (2010)


Article DOI: 10.1016/j.bmc.2009.11.050
BindingDB Entry DOI: 10.7270/Q2CF9Q69
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50180789
PNG
(1,2-bis(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-y...)
Show SMILES Cc1ccn2c(CCc3nnc4cc(C)ccn34)nnc2c1
Show InChI InChI=1S/C16H16N6/c1-11-5-7-21-13(17-19-15(21)9-11)3-4-14-18-20-16-10-12(2)6-8-22(14)16/h5-10H,3-4H2,1-2H3
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n/an/a 400n/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant CpG methylase M.SssI


J Med Chem 49: 678-83 (2006)


Article DOI: 10.1021/jm050844z
BindingDB Entry DOI: 10.7270/Q20G3JR2
More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50180790
PNG
(2-(1,3-dioxoisoindolin-2-yl)-3-(1H-indol-3-yl)prop...)
Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C19H14N2O4/c22-17-13-6-1-2-7-14(13)18(23)21(17)16(19(24)25)9-11-10-20-15-8-4-3-5-12(11)15/h1-8,10,16,20H,9H2,(H,24,25)
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n/an/a 600n/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant CpG methylase M.SssI


J Med Chem 49: 678-83 (2006)


Article DOI: 10.1021/jm050844z
BindingDB Entry DOI: 10.7270/Q20G3JR2
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50009672
PNG
(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Deutsches Krebsforschungszentrum

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT1 expressed in baculovirus-insect cell system by scintillation counting


Bioorg Med Chem 18: 822-9 (2010)


Article DOI: 10.1016/j.bmc.2009.11.050
BindingDB Entry DOI: 10.7270/Q2CF9Q69
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens (Human))
BDBM11979
PNG
(5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxyben...)
Show SMILES OC(=O)c1cc(Cc2ccc(O)c(c2)C(O)=O)ccc1O
Show InChI InChI=1S/C15H12O6/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h1-4,6-7,16-17H,5H2,(H,18,19)(H,20,21)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Deutsches Krebsforschungszentrum

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3B expressed in baculovirus-insect cell system by scintillation counting


Bioorg Med Chem 18: 822-9 (2010)


Article DOI: 10.1016/j.bmc.2009.11.050
BindingDB Entry DOI: 10.7270/Q2CF9Q69
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50180790
PNG
(2-(1,3-dioxoisoindolin-2-yl)-3-(1H-indol-3-yl)prop...)
Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C19H14N2O4/c22-17-13-6-1-2-7-14(13)18(23)21(17)16(19(24)25)9-11-10-20-15-8-4-3-5-12(11)15/h1-8,10,16,20H,9H2,(H,24,25)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA methyl transferase in leukemic NALM6 cells


J Med Chem 49: 678-83 (2006)


Article DOI: 10.1021/jm050844z
BindingDB Entry DOI: 10.7270/Q20G3JR2
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM11979
PNG
(5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxyben...)
Show SMILES OC(=O)c1cc(Cc2ccc(O)c(c2)C(O)=O)ccc1O
Show InChI InChI=1S/C15H12O6/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h1-4,6-7,16-17H,5H2,(H,18,19)(H,20,21)
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n/an/a 9.20E+4n/an/an/an/an/an/a



Deutsches Krebsforschungszentrum

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT1 expressed in baculovirus-insect cell system by scintillation counting


Bioorg Med Chem 18: 822-9 (2010)


Article DOI: 10.1016/j.bmc.2009.11.050
BindingDB Entry DOI: 10.7270/Q2CF9Q69
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50180789
PNG
(1,2-bis(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-y...)
Show SMILES Cc1ccn2c(CCc3nnc4cc(C)ccn34)nnc2c1
Show InChI InChI=1S/C16H16N6/c1-11-5-7-21-13(17-19-15(21)9-11)3-4-14-18-20-16-10-12(2)6-8-22(14)16/h5-10H,3-4H2,1-2H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA methyl transferase in leukemic NALM6 cells


J Med Chem 49: 678-83 (2006)


Article DOI: 10.1021/jm050844z
BindingDB Entry DOI: 10.7270/Q20G3JR2
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50308983
PNG
(2-(4-bromo-2-(4-(carboxymethoxy)benzoyl)phenoxy)ac...)
Show SMILES OC(=O)COc1ccc(cc1)C(=O)c1cc(Br)ccc1OCC(O)=O
Show InChI InChI=1S/C17H13BrO7/c18-11-3-6-14(25-9-16(21)22)13(7-11)17(23)10-1-4-12(5-2-10)24-8-15(19)20/h1-7H,8-9H2,(H,19,20)(H,21,22)
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n/an/a 2.12E+5n/an/an/an/an/an/a



Deutsches Krebsforschungszentrum

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT1 expressed in baculovirus-insect cell system by scintillation counting


Bioorg Med Chem 18: 822-9 (2010)


Article DOI: 10.1016/j.bmc.2009.11.050
BindingDB Entry DOI: 10.7270/Q2CF9Q69
More data for this
Ligand-Target Pair