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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 50448485   
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 (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 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
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
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)
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