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Compile Data Set for Download or QSAR

Found 49 hits Enz. Inhib. hit(s) with Target = 'DNA (cytosine-5)-methyltransferase 3B' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 3B


(Homo sapiens)
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 200n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294576
PNG
((2S,4S)-4-(((2S,3S,4R,5R)-5-(6-(2-(biphenyl-4-yl)e...)
Show SMILES O[C@@H]1[C@@H](CS[C@@H]2CN[C@@H](C2)C(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCCc3ccc(cc3)-c3ccccc3)ncnc12
Show InChI InChI=1S/C29H32N6O5S/c36-24-22(14-41-20-12-21(29(38)39)31-13-20)40-28(25(24)37)35-16-34-23-26(32-15-33-27(23)35)30-11-10-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-9,15-16,20-22,24-25,28,31,36-37H,10-14H2,(H,38,39)(H,30,32,33)/t20-,21-,22+,24+,25+,28+/m0/s1
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n/an/a 260n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294482
PNG
(CHEMBL552309 | S-tubercidinylhomocysteine)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C15H21N5O5S/c16-8(15(23)24)2-4-26-5-9-10(21)11(22)14(25-9)20-3-1-7-12(17)18-6-19-13(7)20/h1,3,6,8-11,14,21-22H,2,4-5,16H2,(H,23,24)(H2,17,18,19)/t8-,9+,10+,11+,14+/m0/s1
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n/an/a 300n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294557
PNG
((2S,4S)-4-(((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CS[C@@H]2CN[C@@H](C2)C(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C15H20N6O5S/c16-12-9-13(19-4-18-12)21(5-20-9)14-11(23)10(22)8(26-14)3-27-6-1-7(15(24)25)17-2-6/h4-8,10-11,14,17,22-23H,1-3H2,(H,24,25)(H2,16,18,19)/t6-,7-,8+,10+,11+,14+/m0/s1
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n/an/a 300n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
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 300n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50075103
PNG
(CHEBI:48202 | NANAFROCIN | Nanafrocin)
Show SMILES C[C@@H]1O[C@@H](CC(O)=O)CC2=C1C(=O)c1c(O)cccc1C2=O
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...


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294494
PNG
(2-amino-4-(((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(3-ph...)
Show SMILES NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCc3ccccc3)ncnc12)C(O)=O
Show InChI InChI=1S/C23H30N6O5S/c24-15(23(32)33)8-10-35-11-16-18(30)19(31)22(34-16)29-13-28-17-20(26-12-27-21(17)29)25-9-4-7-14-5-2-1-3-6-14/h1-3,5-6,12-13,15-16,18-19,22,30-31H,4,7-11,24H2,(H,32,33)(H,25,26,27)/t15?,16-,18-,19-,22-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294495
PNG
((2-amino-4-(((2S,3S,4R,5R)-5-(6-(2-(biphenyl-4-yl)...)
Show SMILES NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3ccc(cc3)-c3ccccc3)ncnc12)C(O)=O
Show InChI InChI=1S/C28H32N6O5S/c29-20(28(37)38)11-13-40-14-21-23(35)24(36)27(39-21)34-16-33-22-25(31-15-32-26(22)34)30-12-10-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-9,15-16,20-21,23-24,27,35-36H,10-14,29H2,(H,37,38)(H,30,31,32)/t20?,21-,23-,24-,27-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294495
PNG
((2-amino-4-(((2S,3S,4R,5R)-5-(6-(2-(biphenyl-4-yl)...)
Show SMILES NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3ccc(cc3)-c3ccccc3)ncnc12)C(O)=O
Show InChI InChI=1S/C28H32N6O5S/c29-20(28(37)38)11-13-40-14-21-23(35)24(36)27(39-21)34-16-33-22-25(31-15-32-26(22)34)30-12-10-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-9,15-16,20-21,23-24,27,35-36H,10-14,29H2,(H,37,38)(H,30,31,32)/t20?,21-,23-,24-,27-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2 at 45 uM


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294497
PNG
(4-(((2S,3S,4R,5R)-5-(6-(3,5-dimethoxybenzylamino)-...)
Show SMILES COc1cc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CSCCC(N)C(O)=O)[C@@H](O)[C@H]2O)cc(OC)c1
Show InChI InChI=1S/C23H30N6O7S/c1-34-13-5-12(6-14(7-13)35-2)8-25-20-17-21(27-10-26-20)29(11-28-17)22-19(31)18(30)16(36-22)9-37-4-3-15(24)23(32)33/h5-7,10-11,15-16,18-19,22,30-31H,3-4,8-9,24H2,1-2H3,(H,32,33)(H,25,26,27)/t15?,16-,18-,19-,22-/m1/s1
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n/an/a 900n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294577
PNG
((2S,4S)-4-(((2S,3S,4R,5R)-5-(6-(2-(biphenyl-4-yl)e...)
Show SMILES O[C@@H]1[C@@H](CS[C@@H]2CN[C@@H](C2)C(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCCc3ccc(cc3)-c3ccccc3)nc(Cl)nc12
Show InChI InChI=1S/C29H31ClN6O5S/c30-29-34-25(31-11-10-16-6-8-18(9-7-16)17-4-2-1-3-5-17)22-26(35-29)36(15-33-22)27-24(38)23(37)21(41-27)14-42-19-12-20(28(39)40)32-13-19/h1-9,15,19-21,23-24,27,32,37-38H,10-14H2,(H,39,40)(H,31,34,35)/t19-,20-,21+,23+,24+,27+/m0/s1
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n/an/a 920n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294492
PNG
(2-amino-4-(((2S,3S,4R,5R)-5-(6-(benzylamino)-9H-pu...)
Show SMILES NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12)C(O)=O
Show InChI InChI=1S/C21H26N6O5S/c22-13(21(30)31)6-7-33-9-14-16(28)17(29)20(32-14)27-11-26-15-18(24-10-25-19(15)27)23-8-12-4-2-1-3-5-12/h1-5,10-11,13-14,16-17,20,28-29H,6-9,22H2,(H,30,31)(H,23,24,25)/t13?,14-,16-,17-,20-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294488
PNG
(2-amino-4-(((2S,3S,4R,5R)-5-(6-amino-2-methyl-9H-p...)
Show SMILES Cc1nc(N)c2ncn([C@@H]3O[C@H](CSCCC(N)C(O)=O)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C15H22N6O5S/c1-6-19-12(17)9-13(20-6)21(5-18-9)14-11(23)10(22)8(26-14)4-27-3-2-7(16)15(24)25/h5,7-8,10-11,14,22-23H,2-4,16H2,1H3,(H,24,25)(H2,17,19,20)/t7?,8-,10-,11-,14-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294559
PNG
((2S,4S)-4-(((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CS[C@H]2CCN[C@@H](C2)C(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H22N6O5S/c17-13-10-14(20-5-19-13)22(6-21-10)15-12(24)11(23)9(27-15)4-28-7-1-2-18-8(3-7)16(25)26/h5-9,11-12,15,18,23-24H,1-4H2,(H,25,26)(H2,17,19,20)/t7-,8-,9+,11+,12+,15+/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294574
PNG
((2S,4S)-4-(((2S,3S,4R,5S)-5-(6-amino-2-chloro-9H-p...)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CS[C@@H]2CN[C@@H](C2)C(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C15H19ClN6O5S/c16-15-20-11(17)8-12(21-15)22(4-19-8)13-10(24)9(23)7(27-13)3-28-5-1-6(14(25)26)18-2-5/h4-7,9-10,13,18,23-24H,1-3H2,(H,25,26)(H2,17,20,21)/t5-,6-,7+,9+,10+,13+/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294491
PNG
(2-amino-4-(((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(phen...)
Show SMILES NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccc3)ncnc12)C(O)=O
Show InChI InChI=1S/C20H24N6O5S/c21-12(20(29)30)6-7-32-8-13-15(27)16(28)19(31-13)26-10-24-14-17(22-9-23-18(14)26)25-11-4-2-1-3-5-11/h1-5,9-10,12-13,15-16,19,27-28H,6-8,21H2,(H,29,30)(H,22,23,25)/t12?,13-,15-,16-,19-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294493
PNG
(2-amino-4-(((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(phen...)
Show SMILES NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3ccccc3)ncnc12)C(O)=O
Show InChI InChI=1S/C22H28N6O5S/c23-14(22(31)32)7-9-34-10-15-17(29)18(30)21(33-15)28-12-27-16-19(25-11-26-20(16)28)24-8-6-13-4-2-1-3-5-13/h1-5,11-12,14-15,17-18,21,29-30H,6-10,23H2,(H,31,32)(H,24,25,26)/t14?,15-,17-,18-,21-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294483
PNG
(2-amino-4-(((2S,3S,4R,5R)-5-(7-amino-3H-[1,2,3]tri...)
Show SMILES NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1nnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C13H19N7O5S/c14-5(13(23)24)1-2-26-3-6-8(21)9(22)12(25-6)20-11-7(18-19-20)10(15)16-4-17-11/h4-6,8-9,12,21-22H,1-3,14H2,(H,23,24)(H2,15,16,17)/t5?,6-,8-,9-,12-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294496
PNG
(2-amino-4-(((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(pyri...)
Show SMILES NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccncc3)ncnc12)C(O)=O
Show InChI InChI=1S/C20H25N7O5S/c21-12(20(30)31)3-6-33-8-13-15(28)16(29)19(32-13)27-10-26-14-17(24-9-25-18(14)27)23-7-11-1-4-22-5-2-11/h1-2,4-5,9-10,12-13,15-16,19,28-29H,3,6-8,21H2,(H,30,31)(H,23,24,25)/t12?,13-,15-,16-,19-/m1/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294485
PNG
(2-amino-4-(((2S,3S,4R,5R)-5-(6-amino-2-fluoro-9H-p...)
Show SMILES NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(F)nc12)C(O)=O
Show InChI InChI=1S/C14H19FN6O5S/c15-14-19-10(17)7-11(20-14)21(4-18-7)12-9(23)8(22)6(26-12)3-27-2-1-5(16)13(24)25/h4-6,8-9,12,22-23H,1-3,16H2,(H,24,25)(H2,17,19,20)/t5?,6-,8-,9-,12-/m1/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294481
PNG
(2-amino-4-(((2S,3S,4R,5R)-5-(4-amino-1H-imidazo[4,...)
Show SMILES NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nccc12)C(O)=O
Show InChI InChI=1S/C15H21N5O5S/c16-7(15(23)24)2-4-26-5-9-11(21)12(22)14(25-9)20-6-19-10-8(20)1-3-18-13(10)17/h1,3,6-7,9,11-12,14,21-22H,2,4-5,16H2,(H2,17,18)(H,23,24)/t7?,9-,11-,12-,14-/m1/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294563
PNG
((2S,4S)-4-(((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl...)
Show SMILES CN1C[C@H](C[C@H]1C(O)=O)SC[C@H]1O[C@H](C(O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C16H22N6O5S/c1-21-3-7(2-8(21)16(25)26)28-4-9-11(23)12(24)15(27-9)22-6-20-10-13(17)18-5-19-14(10)22/h5-9,11-12,15,23-24H,2-4H2,1H3,(H,25,26)(H2,17,18,19)/t7-,8-,9+,11+,12?,15+/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294565
PNG
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-(((R)-py...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CS[C@@H]2CCNC2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C14H20N6O3S/c15-12-9-13(18-5-17-12)20(6-19-9)14-11(22)10(21)8(23-14)4-24-7-1-2-16-3-7/h5-8,10-11,14,16,21-22H,1-4H2,(H2,15,17,18)/t7-,8-,10-,11-,14-/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294572
PNG
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-((3-amin...)
Show SMILES NCCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H20N6O3S/c14-2-1-3-23-4-7-9(20)10(21)13(22-7)19-6-18-8-11(15)16-5-17-12(8)19/h5-7,9-10,13,20-21H,1-4,14H2,(H2,15,16,17)/t7-,9-,10-,13-/m1/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294569
PNG
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-(((R)-py...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSC[C@H]2CCCN2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C15H22N6O3S/c16-13-10-14(19-6-18-13)21(7-20-10)15-12(23)11(22)9(24-15)5-25-4-8-2-1-3-17-8/h6-9,11-12,15,17,22-23H,1-5H2,(H2,16,18,19)/t8-,9-,11-,12-,15-/m1/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294566
PNG
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-(((S)-py...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CS[C@H]2CCNC2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C14H20N6O3S/c15-12-9-13(18-5-17-12)20(6-19-9)14-11(22)10(21)8(23-14)4-24-7-1-2-16-3-7/h5-8,10-11,14,16,21-22H,1-4H2,(H2,15,17,18)/t7-,8+,10+,11+,14+/m0/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294556
PNG
((2S,3R,4S,5S)-2-(6-(2-(biphenyl-4-yl)ethylamino)-2...)
Show SMILES O[C@@H]1[C@@H](CS[C@H]2CCNC2)O[C@H]([C@@H]1O)n1cnc2c(NCCc3ccc(cc3)-c3ccccc3)nc(Cl)nc12
Show InChI InChI=1S/C28H31ClN6O3S/c29-28-33-25(31-13-10-17-6-8-19(9-7-17)18-4-2-1-3-5-18)22-26(34-28)35(16-32-22)27-24(37)23(36)21(38-27)15-39-20-11-12-30-14-20/h1-9,16,20-21,23-24,27,30,36-37H,10-15H2,(H,31,33,34)/t20-,21+,23+,24+,27+/m0/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294479
PNG
(CHEMBL563570 | S-nebularinehomocysteine)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2cncnc12)C(O)=O
Show InChI InChI=1S/C14H19N5O5S/c15-7(14(22)23)1-2-25-4-9-10(20)11(21)13(24-9)19-6-18-8-3-16-5-17-12(8)19/h3,5-7,9-11,13,20-21H,1-2,4,15H2,(H,22,23)/t7-,9+,10+,11+,13+/m0/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294498
PNG
(2-Amino-4-{(2S,3S,4R,5R)-5-[6-(2-biphenyl-4-yl-eth...)
Show SMILES NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3ccc(cc3)-c3ccccc3)nc(Cl)nc12)C(O)=O
Show InChI InChI=1S/C28H31ClN6O5S/c29-28-33-24(31-12-10-16-6-8-18(9-7-16)17-4-2-1-3-5-17)21-25(34-28)35(15-32-21)26-23(37)22(36)20(40-26)14-41-13-11-19(30)27(38)39/h1-9,15,19-20,22-23,26,36-37H,10-14,30H2,(H,38,39)(H,31,33,34)/t19?,20-,22-,23-,26-/m1/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294555
PNG
((2R,3R,4S,5S)-2-(6-(2-(biphenyl-4-yl)ethylamino)-9...)
Show SMILES O[C@@H]1[C@@H](CS[C@H]2CCNC2)O[C@H]([C@@H]1O)n1cnc2c(NCCc3ccc(cc3)-c3ccccc3)ncnc12
Show InChI InChI=1S/C28H32N6O3S/c35-24-22(15-38-21-11-12-29-14-21)37-28(25(24)36)34-17-33-23-26(31-16-32-27(23)34)30-13-10-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-9,16-17,21-22,24-25,28-29,35-36H,10-15H2,(H,30,31,32)/t21-,22+,24+,25+,28+/m0/s1
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n/an/a 3.30E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294560
PNG
((2S,4R)-4-(((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CS[C@@H]2CCN[C@@H](C2)C(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H22N6O5S/c17-13-10-14(20-5-19-13)22(6-21-10)15-12(24)11(23)9(27-15)4-28-7-1-2-18-8(3-7)16(25)26/h5-9,11-12,15,18,23-24H,1-4H2,(H,25,26)(H2,17,19,20)/t7-,8+,9-,11-,12-,15-/m1/s1
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n/an/a 3.90E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294573
PNG
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-((2-amin...)
Show SMILES NCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H18N6O3S/c13-1-2-22-3-6-8(19)9(20)12(21-6)18-5-17-7-10(14)15-4-16-11(7)18/h4-6,8-9,12,19-20H,1-3,13H2,(H2,14,15,16)/t6-,8-,9-,12-/m1/s1
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n/an/a 4.10E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294484
PNG
(2-amino-4-(((2S,3S,4R,5R)-5-(7-amino-3H-imidazo[4,...)
Show SMILES NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ccnc12)C(O)=O
Show InChI InChI=1S/C15H21N5O5S/c16-7-1-3-18-13-10(7)19-6-20(13)14-12(22)11(21)9(25-14)5-26-4-2-8(17)15(23)24/h1,3,6,8-9,11-12,14,21-22H,2,4-5,17H2,(H2,16,18)(H,23,24)/t8?,9-,11-,12-,14-/m1/s1
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n/an/a 4.50E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294575
PNG
((2S,3R,4S,5S)-2-(6-amino-2-chloro-9H-purin-9-yl)-5...)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CS[C@H]2CCNC2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C14H19ClN6O3S/c15-14-19-11(16)8-12(20-14)21(5-18-8)13-10(23)9(22)7(24-13)4-25-6-1-2-17-3-6/h5-7,9-10,13,17,22-23H,1-4H2,(H2,16,19,20)/t6-,7+,9+,10+,13+/m0/s1
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n/an/a>4.50E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
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>5.00E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human full length DNMT3B expressed in Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50089221
PNG
(CHEMBL3577854)
Show SMILES CCNC(=O)NCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1/C15H23N7O4S/c1-2-17-15(25)18-3-4-27-5-8-10(23)11(24)14(26-8)22-7-21-9-12(16)19-6-20-13(9)22/h6-8,10-11,14,23-24H,2-5H2,1H3,(H2,16,19,20)(H2,17,18,25)/t8-,10-,11-,14-/s2
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human full length DNMT3B expressed in Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294558
PNG
((2S,4R)-4-(((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CS[C@H]2CN[C@@H](C2)C(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C15H20N6O5S/c16-12-9-13(19-4-18-12)21(5-20-9)14-11(23)10(22)8(26-14)3-27-6-1-7(15(24)25)17-2-6/h4-8,10-11,14,17,22-23H,1-3H2,(H,24,25)(H2,16,18,19)/t6-,7+,8-,10-,11-,14-/m1/s1
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n/an/a 5.40E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294486
PNG
(2-amino-4-(((2S,3S,4R,5R)-5-(6-amino-2-chloro-9H-p...)
Show SMILES NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12)C(O)=O
Show InChI InChI=1S/C14H19ClN6O5S/c15-14-19-10(17)7-11(20-14)21(4-18-7)12-9(23)8(22)6(26-12)3-27-2-1-5(16)13(24)25/h4-6,8-9,12,22-23H,1-3,16H2,(H,24,25)(H2,17,19,20)/t5?,6-,8-,9-,12-/m1/s1
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n/an/a 5.72E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294570
PNG
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-(((1R,2S...)
Show SMILES N[C@H]1CCC[C@H]1SC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H22N6O3S/c16-7-2-1-3-9(7)25-4-8-11(22)12(23)15(24-8)21-6-20-10-13(17)18-5-19-14(10)21/h5-9,11-12,15,22-23H,1-4,16H2,(H2,17,18,19)/t7-,8+,9+,11+,12+,15+/m0/s1
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n/an/a 6.60E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294561
PNG
((2R,4S)-4-(((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CS[C@H]2CCN[C@H](C2)C(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H22N6O5S/c17-13-10-14(20-5-19-13)22(6-21-10)15-12(24)11(23)9(27-15)4-28-7-1-2-18-8(3-7)16(25)26/h5-9,11-12,15,18,23-24H,1-4H2,(H,25,26)(H2,17,19,20)/t7-,8+,9+,11+,12+,15+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294571
PNG
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-((azetid...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSC2CNC2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C13H18N6O3S/c14-11-8-12(17-4-16-11)19(5-18-8)13-10(21)9(20)7(22-13)3-23-6-1-15-2-6/h4-7,9-10,13,15,20-21H,1-3H2,(H2,14,16,17)/t7-,9-,10-,13-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294568
PNG
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-(((S)-py...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSC[C@@H]2CCCN2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C15H22N6O3S/c16-13-10-14(19-6-18-13)21(7-20-10)15-12(23)11(22)9(24-15)5-25-4-8-2-1-3-17-8/h6-9,11-12,15,17,22-23H,1-5H2,(H2,16,18,19)/t8-,9+,11+,12+,15+/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50031317
PNG
(CHEMBL3358015)
Show SMILES OC(CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1/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
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294487
PNG
(2-amino-4-(((2S,3S,4R,5R)-5-(6-amino-2-iodo-9H-pur...)
Show SMILES NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(I)nc12)C(O)=O
Show InChI InChI=1S/C14H19IN6O5S/c15-14-19-10(17)7-11(20-14)21(4-18-7)12-9(23)8(22)6(26-12)3-27-2-1-5(16)13(24)25/h4-6,8-9,12,22-23H,1-3,16H2,(H,24,25)(H2,17,19,20)/t5?,6-,8-,9-,12-/m1/s1
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n/an/a 2.56E+5n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294490
PNG
(2-amino-4-(((2S,3S,4R,5R)-5-(6-amino-2-(methylthio...)
Show SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](CSCCC(N)C(O)=O)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C15H22N6O5S2/c1-27-15-19-11(17)8-12(20-15)21(5-18-8)13-10(23)9(22)7(26-13)4-28-3-2-6(16)14(24)25/h5-7,9-10,13,22-23H,2-4,16H2,1H3,(H,24,25)(H2,17,19,20)/t6?,7-,9-,10-,13-/m1/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells


Citation and Details
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens)
BDBM50294480
PNG
((2S)-2-AMINO-4-({[(2S,3S,4R,5R)-3,4-DIHYDROXY-5-(6...)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1nc[nH]c2=O)C(O)=O
Show InChI InChI=1S/C14H19N5O6S/c15-6(14(23)24)1-2-26-3-7-9(20)10(21)13(25-7)19-5-18-8-11(19)16-4-17-12(8)22/h4-7,9-10,13,20-21H,1-3,15H2,(H,23,24)(H,16,17,22)/t6-,7+,9+,10+,13+/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells


Citation and Details
More data for this
Ligand-Target Pair