Found 241 hits of ic50 data for polymerid = 50004421 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 |
|---|
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50599565
(CHEMBL5191361)Show SMILES COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCN(CCCCCC(=O)NO)CC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116524
BindingDB Entry DOI: 10.7270/Q2W09B07 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50599563
(CHEMBL5171820)Show SMILES COc1cc2nc(nc(NC3CCN(CC3)C(C)C)c2cc1OC)N1CCN(CCCCCC(=O)NO)CC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116524
BindingDB Entry DOI: 10.7270/Q2W09B07 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50442103
(CHEMBL2441082)Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCC(F)(F)CC1 Show InChI InChI=1S/C29H44F2N6O2/c1-21(2)36-14-7-22(8-15-36)32-27-23-19-25(38-3)26(39-18-6-13-35-11-4-5-12-35)20-24(23)33-28(34-27)37-16-9-29(30,31)10-17-37/h19-22H,4-18H2,1-3H3,(H,32,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | <2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50442103
(CHEMBL2441082)Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCC(F)(F)CC1 Show InChI InChI=1S/C29H44F2N6O2/c1-21(2)36-14-7-22(8-15-36)32-27-23-19-25(38-3)26(39-18-6-13-35-11-4-5-12-35)20-24(23)33-28(34-27)37-16-9-29(30,31)10-17-37/h19-22H,4-18H2,1-3H3,(H,32,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116524
BindingDB Entry DOI: 10.7270/Q2W09B07 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50300029
(6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-...)Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1 Show InChI InChI=1S/C22H34N6O2/c1-26-8-5-9-28(13-12-26)22-24-18-15-20(30-4)19(29-3)14-17(18)21(25-22)23-16-6-10-27(2)11-7-16/h14-16H,5-13H2,1-4H3,(H,23,24,25) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GLP catalytic SET domain (982 to 1266 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) codon plus RIL as... |
J Med Chem 60: 1876-1891 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01645
BindingDB Entry DOI: 10.7270/Q2ZP4947 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50268879
(CHEMBL4094717)Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)C1CCCC1 Show InChI InChI=1S/C22H33N5O2/c1-26-11-9-15(10-12-26)23-21-17-13-19(28-3)20(29-4)14-18(17)24-22(25-21)27(2)16-7-5-6-8-16/h13-16H,5-12H2,1-4H3,(H,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of human GLP catalytic domain (951 to 1235 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H3 (1 to 25 residues) as ... |
Bioorg Med Chem 25: 4414-4423 (2017)
Article DOI: 10.1016/j.bmc.2017.06.021
BindingDB Entry DOI: 10.7270/Q2X350ZG |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50268886
(CHEMBL4072211)Show SMILES CCCN(C)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1 Show InChI InChI=1S/C20H31N5O2/c1-6-9-25(3)20-22-16-13-18(27-5)17(26-4)12-15(16)19(23-20)21-14-7-10-24(2)11-8-14/h12-14H,6-11H2,1-5H3,(H,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of human GLP catalytic domain (951 to 1235 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H3 (1 to 25 residues) as ... |
Bioorg Med Chem 25: 4414-4423 (2017)
Article DOI: 10.1016/j.bmc.2017.06.021
BindingDB Entry DOI: 10.7270/Q2X350ZG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50268871
(CHEMBL4100004)Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)C1CCCCC1 Show InChI InChI=1S/C23H35N5O2/c1-27-12-10-16(11-13-27)24-22-18-14-20(29-3)21(30-4)15-19(18)25-23(26-22)28(2)17-8-6-5-7-9-17/h14-17H,5-13H2,1-4H3,(H,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of human GLP catalytic domain (951 to 1235 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H3 (1 to 25 residues) as ... |
Bioorg Med Chem 25: 4414-4423 (2017)
Article DOI: 10.1016/j.bmc.2017.06.021
BindingDB Entry DOI: 10.7270/Q2X350ZG |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50512623
(CHEMBL4582775)Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C#CCN1CCCC1)N1CCCN(C)CC1 Show InChI InChI=1S/C28H41N7O/c1-32-11-7-15-35(19-18-32)28-30-25-20-22(8-6-14-34-12-4-5-13-34)26(36-3)21-24(25)27(31-28)29-23-9-16-33(2)17-10-23/h20-21,23H,4-5,7,9-19H2,1-3H3,(H,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem BV
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red... |
Bioorg Med Chem Lett 29: 2516-2524 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.012
BindingDB Entry DOI: 10.7270/Q2ZW1Q8X |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50268910
(CHEMBL4066769)Show InChI InChI=1S/C21H30N4O3/c1-24-6-4-15(5-7-24)22-18-14-21(25-8-10-28-11-9-25)23-17-13-20(27-3)19(26-2)12-16(17)18/h12-15H,4-11H2,1-3H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of human GLP catalytic domain (951 to 1235 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H3 (1 to 25 residues) as ... |
Bioorg Med Chem 25: 4414-4423 (2017)
Article DOI: 10.1016/j.bmc.2017.06.021
BindingDB Entry DOI: 10.7270/Q2X350ZG |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50501525
(CHEMBL4086403)Show SMILES CCCCCCNc1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1 Show InChI InChI=1S/C22H35N5O2/c1-5-6-7-8-11-23-22-25-18-15-20(29-4)19(28-3)14-17(18)21(26-22)24-16-9-12-27(2)13-10-16/h14-16H,5-13H2,1-4H3,(H2,23,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GLP catalytic SET domain (982 to 1266 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) codon plus RIL as... |
J Med Chem 60: 1876-1891 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01645
BindingDB Entry DOI: 10.7270/Q2ZP4947 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50512620
(CHEMBL4461224)Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1CCCN(C)C)N1CCCN(C)CC1 Show InChI InChI=1S/C26H43N7O/c1-30(2)11-6-8-20-18-23-22(19-24(20)34-5)25(27-21-9-14-32(4)15-10-21)29-26(28-23)33-13-7-12-31(3)16-17-33/h18-19,21H,6-17H2,1-5H3,(H,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem BV
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red... |
Bioorg Med Chem Lett 29: 2516-2524 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.012
BindingDB Entry DOI: 10.7270/Q2ZW1Q8X |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50512644
(CHEMBL4467219)Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1CCCN1CCCC1)N1CCCN(C)CC1 Show InChI InChI=1S/C28H45N7O/c1-32-11-7-15-35(19-18-32)28-30-25-20-22(8-6-14-34-12-4-5-13-34)26(36-3)21-24(25)27(31-28)29-23-9-16-33(2)17-10-23/h20-21,23H,4-19H2,1-3H3,(H,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem BV
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red... |
Bioorg Med Chem Lett 29: 2516-2524 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.012
BindingDB Entry DOI: 10.7270/Q2ZW1Q8X |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50599564
(CHEMBL5201140)Show SMILES COc1cc2nc(NCCCCCC(=O)NO)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116524
BindingDB Entry DOI: 10.7270/Q2W09B07 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50300034
(6,7-Dimethoxy-N2,N2-dimethyl-N4-(1-methylpiperidin...)Show InChI InChI=1S/C18H27N5O2/c1-22(2)18-20-14-11-16(25-5)15(24-4)10-13(14)17(21-18)19-12-6-8-23(3)9-7-12/h10-12H,6-9H2,1-5H3,(H,19,20,21) | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of human GLP catalytic domain (951 to 1235 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H3 (1 to 25 residues) as ... |
Bioorg Med Chem 25: 4414-4423 (2017)
Article DOI: 10.1016/j.bmc.2017.06.021
BindingDB Entry DOI: 10.7270/Q2X350ZG |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50268909
(CHEMBL4088064)Show SMILES CCCCCCNc1cc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1 Show InChI InChI=1S/C23H36N4O2/c1-5-6-7-8-11-24-23-16-20(25-17-9-12-27(2)13-10-17)18-14-21(28-3)22(29-4)15-19(18)26-23/h14-17H,5-13H2,1-4H3,(H2,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of human GLP catalytic domain (951 to 1235 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H3 (1 to 25 residues) as ... |
Bioorg Med Chem 25: 4414-4423 (2017)
Article DOI: 10.1016/j.bmc.2017.06.021
BindingDB Entry DOI: 10.7270/Q2X350ZG |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50501520
(CHEMBL4085546)Show SMILES CCCN1CCC(CC1)Nc1nc(nc2cc(OC)c(OC)cc12)N1CCOCC1 Show InChI InChI=1S/C22H33N5O3/c1-4-7-26-8-5-16(6-9-26)23-21-17-14-19(28-2)20(29-3)15-18(17)24-22(25-21)27-10-12-30-13-11-27/h14-16H,4-13H2,1-3H3,(H,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GLP catalytic SET domain (982 to 1266 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) codon plus RIL as... |
J Med Chem 60: 1876-1891 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01645
BindingDB Entry DOI: 10.7270/Q2ZP4947 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50599562
(CHEMBL5204152)Show SMILES COc1cc2nc(NCCCCCCC(=O)NO)nc(NC3CCN(CC3)C(C)C)c2cc1OC | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116524
BindingDB Entry DOI: 10.7270/Q2W09B07 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50512624
(CHEMBL4568910)Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C#CCN(C)C)N1CCCN(C)CC1 Show InChI InChI=1S/C26H39N7O/c1-30(2)11-6-8-20-18-23-22(19-24(20)34-5)25(27-21-9-14-32(4)15-10-21)29-26(28-23)33-13-7-12-31(3)16-17-33/h18-19,21H,7,9-17H2,1-5H3,(H,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem BV
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red... |
Bioorg Med Chem Lett 29: 2516-2524 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.012
BindingDB Entry DOI: 10.7270/Q2ZW1Q8X |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50599559
(CHEMBL5182385)Show SMILES COc1cc2nc(NCCCCCC(=O)NO)nc(NC3CCN(C)CC3)c2cc1OC | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116524
BindingDB Entry DOI: 10.7270/Q2W09B07 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50446376
(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) | PDB
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Mercachem BV
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red... |
Bioorg Med Chem Lett 29: 2516-2524 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.012
BindingDB Entry DOI: 10.7270/Q2ZW1Q8X |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50501518
(CHEMBL4093293)Show SMILES COc1cc2nc(nc(NC3CCN(CC3)C3CC3)c2cc1OC)N1CCOCC1 Show InChI InChI=1S/C22H31N5O3/c1-28-19-13-17-18(14-20(19)29-2)24-22(27-9-11-30-12-10-27)25-21(17)23-15-5-7-26(8-6-15)16-3-4-16/h13-16H,3-12H2,1-2H3,(H,23,24,25) | PDB
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Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GLP catalytic SET domain (982 to 1266 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) codon plus RIL as... |
J Med Chem 60: 1876-1891 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01645
BindingDB Entry DOI: 10.7270/Q2ZP4947 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50300031
(6,7-Dimethoxy-N-(1-methylpiperidin-4-yl)-2-(piperi...)Show InChI InChI=1S/C21H31N5O2/c1-25-11-7-15(8-12-25)22-20-16-13-18(27-2)19(28-3)14-17(16)23-21(24-20)26-9-5-4-6-10-26/h13-15H,4-12H2,1-3H3,(H,22,23,24) | PDB
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Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GLP catalytic SET domain (982 to 1266 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) codon plus RIL as... |
J Med Chem 60: 1876-1891 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01645
BindingDB Entry DOI: 10.7270/Q2ZP4947 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50512645
(CHEMBL4532743)Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C#CCN1CCCC1=O)N1CCCN(C)CC1 Show InChI InChI=1S/C28H39N7O2/c1-32-11-6-14-35(18-17-32)28-30-24-19-21(7-4-12-34-13-5-8-26(34)36)25(37-3)20-23(24)27(31-28)29-22-9-15-33(2)16-10-22/h19-20,22H,5-6,8-18H2,1-3H3,(H,29,30,31) | PDB
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Mercachem BV
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red... |
Bioorg Med Chem Lett 29: 2516-2524 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.012
BindingDB Entry DOI: 10.7270/Q2ZW1Q8X |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50512662
(CHEMBL4464846)Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1CCCN(C)CCO)N1CCCN(C)CC1 Show InChI InChI=1S/C27H45N7O2/c1-31-11-6-12-34(16-15-31)27-29-24-19-21(7-5-10-32(2)17-18-35)25(36-4)20-23(24)26(30-27)28-22-8-13-33(3)14-9-22/h19-20,22,35H,5-18H2,1-4H3,(H,28,29,30) | PDB
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| Article
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem BV
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red... |
Bioorg Med Chem Lett 29: 2516-2524 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.012
BindingDB Entry DOI: 10.7270/Q2ZW1Q8X |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50501523
(CHEMBL4063569)Show InChI InChI=1S/C20H29N5O2/c1-24-10-6-14(7-11-24)21-19-15-12-17(26-2)18(27-3)13-16(15)22-20(23-19)25-8-4-5-9-25/h12-14H,4-11H2,1-3H3,(H,21,22,23) | PDB
MMDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GLP catalytic SET domain (982 to 1266 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) codon plus RIL as... |
J Med Chem 60: 1876-1891 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01645
BindingDB Entry DOI: 10.7270/Q2ZP4947 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50353128
(CHEMBL1231795)Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1 Show InChI InChI=1S/C30H47N5O2/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23/h20-24H,4-19H2,1-3H3,(H,31,32,33) | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem BV
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red... |
Bioorg Med Chem Lett 29: 2516-2524 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.012
BindingDB Entry DOI: 10.7270/Q2ZW1Q8X |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50300032
(6,7-Dimethoxy-N-(1-methylpiperidin-4-yl)-2-morphol...)Show InChI InChI=1S/C20H29N5O3/c1-24-6-4-14(5-7-24)21-19-15-12-17(26-2)18(27-3)13-16(15)22-20(23-19)25-8-10-28-11-9-25/h12-14H,4-11H2,1-3H3,(H,21,22,23) | PDB
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| PDB
Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GLP catalytic SET domain (982 to 1266 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) codon plus RIL as... |
J Med Chem 60: 1876-1891 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01645
BindingDB Entry DOI: 10.7270/Q2ZP4947 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50323813
(7-(2-(2-(Dimethylamino)ethoxy)ethoxy)-6-methoxy-2-...)Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCOCCN(C)C)N1CCCN(C)CC1 Show InChI InChI=1S/C27H45N7O3/c1-31(2)15-16-36-17-18-37-25-20-23-22(19-24(25)35-5)26(28-21-7-11-33(4)12-8-21)30-27(29-23)34-10-6-9-32(3)13-14-34/h19-21H,6-18H2,1-5H3,(H,28,29,30) | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by ChEMBL
| Assay Description
Activity at methyl transferase activity GLP by enzyme coupled S-adenocylehomocystein detection assay |
J Med Chem 53: 5844-57 (2010)
Article DOI: 10.1021/jm100478y
BindingDB Entry DOI: 10.7270/Q2DZ08H1 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50560578
(CHEMBL4795328)Show SMILES CNc1cc(C)nc(Nc2ccc(OC(F)F)c(c2)C2=CCNCCC2)n1 |t:20| | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of GLP (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127475
BindingDB Entry DOI: 10.7270/Q24F1VFW |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50501519
(CHEMBL4072569)Show SMILES COc1cc2nc(nc(NC3CCN(CC3)C(C)C)c2cc1OC)N1CCOCC1 Show InChI InChI=1S/C22H33N5O3/c1-15(2)26-7-5-16(6-8-26)23-21-17-13-19(28-3)20(29-4)14-18(17)24-22(25-21)27-9-11-30-12-10-27/h13-16H,5-12H2,1-4H3,(H,23,24,25) | PDB
MMDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GLP catalytic SET domain (982 to 1266 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) codon plus RIL as... |
J Med Chem 60: 1876-1891 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01645
BindingDB Entry DOI: 10.7270/Q2ZP4947 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50353131
(CHEMBL1829304)Show SMILES COc1cc2c(NC3CCN(CC3)C3CCCCC3)nc(nc2cc1OCCCN1CCCCC1)N1CCCN(CC1)C(C)C Show InChI InChI=1S/C36H59N7O2/c1-28(2)41-19-10-20-43(24-23-41)36-38-32-27-34(45-25-11-18-40-16-8-5-9-17-40)33(44-3)26-31(32)35(39-36)37-29-14-21-42(22-15-29)30-12-6-4-7-13-30/h26-30H,4-25H2,1-3H3,(H,37,38,39) | PDB
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| n/a | n/a | <15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by ChEMBL
| Assay Description
Inhibition of GLP assessed as hydrolysis of S-adenosyl-L-homocysteine after 2 mins by SAHH-coupled fluorescence assay |
J Med Chem 54: 6139-50 (2011)
Article DOI: 10.1021/jm200903z
BindingDB Entry DOI: 10.7270/Q237793P |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50512643
(CHEMBL4460703)Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1CCCN1CCCC1=O)N1CCCN(C)CC1 Show InChI InChI=1S/C28H43N7O2/c1-32-11-6-14-35(18-17-32)28-30-24-19-21(7-4-12-34-13-5-8-26(34)36)25(37-3)20-23(24)27(31-28)29-22-9-15-33(2)16-10-22/h19-20,22H,4-18H2,1-3H3,(H,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
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| PC cid
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UniChem
| Article
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem BV
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red... |
Bioorg Med Chem Lett 29: 2516-2524 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.012
BindingDB Entry DOI: 10.7270/Q2ZW1Q8X |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50501533
(CHEMBL4097286)Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCCCC1 Show InChI InChI=1S/C22H33N5O2/c1-26-12-8-16(9-13-26)23-21-17-14-19(28-2)20(29-3)15-18(17)24-22(25-21)27-10-6-4-5-7-11-27/h14-16H,4-13H2,1-3H3,(H,23,24,25) | PDB
MMDB
Reactome pathway
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B.MOAD
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GLP catalytic SET domain (982 to 1266 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) codon plus RIL as... |
J Med Chem 60: 1876-1891 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01645
BindingDB Entry DOI: 10.7270/Q2ZP4947 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50268880
(CHEMBL4074209)Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)C1CCC1 Show InChI InChI=1S/C21H31N5O2/c1-25-10-8-14(9-11-25)22-20-16-12-18(27-3)19(28-4)13-17(16)23-21(24-20)26(2)15-6-5-7-15/h12-15H,5-11H2,1-4H3,(H,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
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| PC cid
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UniChem
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of human GLP catalytic domain (951 to 1235 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H3 (1 to 25 residues) as ... |
Bioorg Med Chem 25: 4414-4423 (2017)
Article DOI: 10.1016/j.bmc.2017.06.021
BindingDB Entry DOI: 10.7270/Q2X350ZG |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50268885
(CHEMBL4084508)Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)C(C)C Show InChI InChI=1S/C20H31N5O2/c1-13(2)25(4)20-22-16-12-18(27-6)17(26-5)11-15(16)19(23-20)21-14-7-9-24(3)10-8-14/h11-14H,7-10H2,1-6H3,(H,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of human GLP catalytic domain (951 to 1235 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H3 (1 to 25 residues) as ... |
Bioorg Med Chem 25: 4414-4423 (2017)
Article DOI: 10.1016/j.bmc.2017.06.021
BindingDB Entry DOI: 10.7270/Q2X350ZG |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50501522
(CHEMBL4081938)Show SMILES CCCCCCN(C)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1 Show InChI InChI=1S/C23H37N5O2/c1-6-7-8-9-12-28(3)23-25-19-16-21(30-5)20(29-4)15-18(19)22(26-23)24-17-10-13-27(2)14-11-17/h15-17H,6-14H2,1-5H3,(H,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GLP catalytic SET domain (982 to 1266 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) codon plus RIL as... |
J Med Chem 60: 1876-1891 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01645
BindingDB Entry DOI: 10.7270/Q2ZP4947 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50268894
(CHEMBL4092975)Show InChI InChI=1S/C19H29N5O2/c1-6-24(3)19-21-15-12-17(26-5)16(25-4)11-14(15)18(22-19)20-13-7-9-23(2)10-8-13/h11-13H,6-10H2,1-5H3,(H,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of human GLP catalytic domain (951 to 1235 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H3 (1 to 25 residues) as ... |
Bioorg Med Chem 25: 4414-4423 (2017)
Article DOI: 10.1016/j.bmc.2017.06.021
BindingDB Entry DOI: 10.7270/Q2X350ZG |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50353128
(CHEMBL1231795)Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1 Show InChI InChI=1S/C30H47N5O2/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23/h20-24H,4-19H2,1-3H3,(H,31,32,33) | PDB
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| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive inhibition of GLP by fluorescence polarization assay in presence of fluorescein-labeled H3 peptide |
Eur J Med Chem 56: 179-194 (2012)
Article DOI: 10.1016/j.ejmech.2012.08.010
BindingDB Entry DOI: 10.7270/Q2TQ62NX |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50353128
(CHEMBL1231795)Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1 Show InChI InChI=1S/C30H47N5O2/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23/h20-24H,4-19H2,1-3H3,(H,31,32,33) | PDB
MMDB
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| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of EHMT1 (unknown origin) |
Bioorg Med Chem 25: 4579-4594 (2017)
Article DOI: 10.1016/j.bmc.2017.06.032
BindingDB Entry DOI: 10.7270/Q2CC135P |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50512635
(CHEMBL4435107)Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCN(C)C)C1CCCCC1 Show InChI InChI=1S/C28H41N5O/c1-20(2)33-16-13-23(14-17-33)29-28-24-19-26(34-5)22(12-9-15-32(3)4)18-25(24)30-27(31-28)21-10-7-6-8-11-21/h18-21,23H,6-8,10-11,13-17H2,1-5H3,(H,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem BV
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red... |
Bioorg Med Chem Lett 29: 2516-2524 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.012
BindingDB Entry DOI: 10.7270/Q2ZW1Q8X |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50353128
(CHEMBL1231795)Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1 Show InChI InChI=1S/C30H47N5O2/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23/h20-24H,4-19H2,1-3H3,(H,31,32,33) | PDB
MMDB
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| | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50512668
(CHEMBL4452780)Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1CCC1CCCCN1)N1CCCN(C)CC1 Show InChI InChI=1S/C28H45N7O/c1-33-13-6-14-35(18-17-33)28-31-25-19-21(8-9-22-7-4-5-12-29-22)26(36-3)20-24(25)27(32-28)30-23-10-15-34(2)16-11-23/h19-20,22-23,29H,4-18H2,1-3H3,(H,30,31,32) | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem BV
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red... |
Bioorg Med Chem Lett 29: 2516-2524 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.012
BindingDB Entry DOI: 10.7270/Q2ZW1Q8X |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50353128
(CHEMBL1231795)Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1 Show InChI InChI=1S/C30H47N5O2/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23/h20-24H,4-19H2,1-3H3,(H,31,32,33) | PDB
MMDB
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MMDB
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| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Texas M.D. Anderson Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of GLP (unknown origin) |
J Med Chem 62: 2666-2689 (2019)
Article DOI: 10.1021/acs.jmedchem.8b02008
BindingDB Entry DOI: 10.7270/Q2280C10 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50512660
(CHEMBL4560792)Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1CCCN(C)C)C1CCCCC1 Show InChI InChI=1S/C28H45N5O/c1-20(2)33-16-13-23(14-17-33)29-28-24-19-26(34-5)22(12-9-15-32(3)4)18-25(24)30-27(31-28)21-10-7-6-8-11-21/h18-21,23H,6-17H2,1-5H3,(H,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem BV
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red... |
Bioorg Med Chem Lett 29: 2516-2524 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.012
BindingDB Entry DOI: 10.7270/Q2ZW1Q8X |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50300041
(7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...)Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N1CCCN(C)CC1 Show InChI InChI=1S/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29) | PDB
MMDB
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| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
Inhibition of GLP by Thioglo assay |
J Med Chem 52: 7950-3 (2009)
Article DOI: 10.1021/jm901543m
BindingDB Entry DOI: 10.7270/Q2542NP4 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50268908
(CHEMBL4063767)Show SMILES CCCN(CC)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1 Show InChI InChI=1S/C21H33N5O2/c1-6-10-26(7-2)21-23-17-14-19(28-5)18(27-4)13-16(17)20(24-21)22-15-8-11-25(3)12-9-15/h13-15H,6-12H2,1-5H3,(H,22,23,24) | PDB
MMDB
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| PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of human GLP catalytic domain (951 to 1235 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H3 (1 to 25 residues) as ... |
Bioorg Med Chem 25: 4414-4423 (2017)
Article DOI: 10.1016/j.bmc.2017.06.021
BindingDB Entry DOI: 10.7270/Q2X350ZG |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50268867
(CHEMBL4069640)Show InChI InChI=1S/C19H29N5O3/c1-23-7-5-13(6-8-23)20-18-14-11-16(26-3)17(27-4)12-15(14)21-19(22-18)24(2)9-10-25/h11-13,25H,5-10H2,1-4H3,(H,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
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| PC cid
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| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of human GLP catalytic domain (951 to 1235 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H3 (1 to 25 residues) as ... |
Bioorg Med Chem 25: 4414-4423 (2017)
Article DOI: 10.1016/j.bmc.2017.06.021
BindingDB Entry DOI: 10.7270/Q2X350ZG |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50268865
(CHEMBL4068291)Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)CC1CCCCC1 Show InChI InChI=1S/C24H37N5O2/c1-28-12-10-18(11-13-28)25-23-19-14-21(30-3)22(31-4)15-20(19)26-24(27-23)29(2)16-17-8-6-5-7-9-17/h14-15,17-18H,5-13,16H2,1-4H3,(H,25,26,27) | PDB
MMDB
Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of human GLP catalytic domain (951 to 1235 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H3 (1 to 25 residues) as ... |
Bioorg Med Chem 25: 4414-4423 (2017)
Article DOI: 10.1016/j.bmc.2017.06.021
BindingDB Entry DOI: 10.7270/Q2X350ZG |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50599560
(CHEMBL5187697)Show SMILES COc1cc2nc(NCCCCCCC(=O)NO)nc(NC3CCN(C)CC3)c2cc1OC | PDB
MMDB
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116524
BindingDB Entry DOI: 10.7270/Q2W09B07 |
More data for this
Ligand-Target Pair | |
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