Found 41 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50009672
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50294482
(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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50294494
(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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50294495
((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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50294497
(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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50294488
(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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50294492
(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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50294482
(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 |r| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT1 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50294491
(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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50009672
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT1 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50294493
(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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50294485
(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 |r| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT1 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50294486
(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 |r| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT1 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50294483
(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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50294496
(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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50294495
((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 |r| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT1 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50294488
(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 |r| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT1 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50294498
(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 |r| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT1 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50294485
(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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50294481
(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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50294494
(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 |r| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT1 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50294483
(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 |r| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT1 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50294497
(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 |r| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT1 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50294487
(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 |r| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT1 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50294496
(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 |r| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT1 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50294493
(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 |r| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT1 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50294479
(CHEMBL563570 | S-nebularinehomocysteine)Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2cncnc12)C(O)=O |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50294498
(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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50294484
(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 |r| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT1 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50294481
(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 |r| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT1 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50294484
(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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50294486
(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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.72E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50294492
(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 |r| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT1 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50294489
(2-amino-4-(((2S,3S,4R,5R)-5-(6-amino-2-methoxy-9H-...)Show SMILES COc1nc(N)c2ncn([C@@H]3O[C@H](CSCCC(N)C(O)=O)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C15H22N6O6S/c1-26-15-19-11(17)8-12(20-15)21(5-18-8)13-10(23)9(22)7(27-13)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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT1 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50294491
(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 |r| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.54E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT1 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50294490
(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 |r| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.16E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT1 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50294487
(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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.56E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50294479
(CHEMBL563570 | S-nebularinehomocysteine)Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2cncnc12)C(O)=O |r| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT1 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50294490
(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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50294480
((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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50294480
((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 |r| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT1 expressed in baculovirus infected high five insect cells |
Bioorg Med Chem Lett 19: 2747-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.113
BindingDB Entry DOI: 10.7270/Q2W37WC2 |
More data for this
Ligand-Target Pair | |
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