Found 38 hits for monomerid = 50353128 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Protein G9a (G9a)
(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
UniProtKB/SwissProt UniProtKB/TrEMBL
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| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Competitive inhibition of G9a (unknown origin) by Morrison plot analysis in presence of histone H3 (1 to 25 residues) |
Bioorg Med Chem 24: 6102-6108 (2016)
Article DOI: 10.1016/j.bmc.2016.09.071 BindingDB Entry DOI: 10.7270/Q29C70D7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Protein G9a (G9a)
(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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| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Competitive inhibition of G9a 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 (crystal) |
Protein G9a (G9a)
(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
UniProtKB/SwissProt UniProtKB/TrEMBL
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| n/a | n/a | 210 | 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 G9a in human HCT116 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western 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 | 3D Structure (crystal) |
Protein G9a (G9a)
(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
UniProtKB/SwissProt UniProtKB/TrEMBL
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| n/a | n/a | 81 | 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 G9a in human MDA-MB-231 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western 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 | 3D Structure (crystal) |
Protein G9a (G9a)
(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
UniProtKB/SwissProt UniProtKB/TrEMBL
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| n/a | n/a | 48 | 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 G9a in human 22Rv1 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western 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 | 3D Structure (crystal) |
Protein G9a (G9a)
(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 | 59 | 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 G9a in human PC3 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western 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 | 3D Structure (crystal) |
Protein G9a (G9a)
(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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| PDB Article PubMed
| n/a | n/a | 70 | 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 G9a in human MCF7 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western 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 | 3D Structure (crystal) |
Protein G9a (G9a)
(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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| PDB Article PubMed
| n/a | n/a | 240 | 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 G9a in human MDA-MB-231 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western 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 | 3D Structure (crystal) |
Protein G9a (G9a)
(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 | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of G9a in human MDA-MB-231 cells after 48 hrs by clonogenic assay |
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 (crystal) |
Protein G9a (G9a)
(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
UniProtKB/SwissProt UniProtKB/TrEMBL
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| PDB Article PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of G9a in human MCF7 cells after 48 hrs by clonogenic assay |
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 (crystal) |
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
Reactome pathway KEGG
UniProtKB/SwissProt
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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) |
Protein G9a (G9a)
(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 | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of G9a (unknown origin) using biotinylated-histone H3 (1 to 21 residues)/S-adenosyl-methionine as substrate/methyl donor after 3 hrs by Al... |
Bioorg Med Chem 24: 6102-6108 (2016)
Article DOI: 10.1016/j.bmc.2016.09.071 BindingDB Entry DOI: 10.7270/Q29C70D7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Protein G9a (G9a)
(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 | <15 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of G9a (unknown origin) using histone H3 (1 to 25 residues) as substrate preincubated for 2 mins followed by substrate addition measured f... |
Bioorg Med Chem 24: 6102-6108 (2016)
Article DOI: 10.1016/j.bmc.2016.09.071 BindingDB Entry DOI: 10.7270/Q29C70D7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Protein G9a (G9a)
(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 | 81 | 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 lysine methyltransferase G9a in human MDA-MB-231 cells assessed as reduction of H3K9me2 cellular level by immunofluorescence in-cell We... |
J Med Chem 56: 8931-42 (2013)
Article DOI: 10.1021/jm401480r BindingDB Entry DOI: 10.7270/Q2NZ892T |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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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) |
Protein G9a (G9a)
(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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| PDB Article PubMed
| n/a | n/a | <15 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description Inhibition of EHMT2 (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 (crystal) |
DNA (cytosine-5)-methyltransferase 1
(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 | 2.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Oviedo-Principado de Asturias
Curated by ChEMBL
| Assay Description Inhibition of human DNMT1 using polydeoxyinosine polydeoxycytosine DNA as substrate after 15 mins in presence of SAM by TR-FRET assay |
J Med Chem 61: 6518-6545 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01926 BindingDB Entry DOI: 10.7270/Q23X895V |
More data for this Ligand-Target Pair | |
Protein G9a (G9a)
(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
UniProtKB/SwissProt UniProtKB/TrEMBL
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| PDB Article PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Oviedo-Principado de Asturias
Curated by ChEMBL
| Assay Description Inhibition of human G9a using biotinylated-H3K9 peptide as substrate after 1 hr in presence of SAM by TR-FRET assay |
J Med Chem 61: 6518-6545 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01926 BindingDB Entry DOI: 10.7270/Q23X895V |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA (cytosine-5)-methyltransferase 1
(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
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 1.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Oviedo-Principado de Asturias
Curated by ChEMBL
| Assay Description Inhibition of DNMT1 (unknown origin) by radioactive methyl transfer assay |
J Med Chem 61: 6518-6545 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01926 BindingDB Entry DOI: 10.7270/Q23X895V |
More data for this Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(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
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| Article PubMed
| n/a | n/a | 1.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi Apptec (Tianjin) Co. Ltd.
Curated by ChEMBL
| Assay Description Inhibition of DNMT1 (unknown origin) |
J Med Chem 61: 6546-6573 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01925 BindingDB Entry DOI: 10.7270/Q2BP05CM |
More data for this Ligand-Target Pair | |
Protein G9a (G9a)
(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 | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi Apptec (Tianjin) Co. Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human G9a using biotinylated-H3K9 peptide as substrate after 1 hr in presence of SAM by TR-FRET assay |
J Med Chem 61: 6546-6573 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01925 BindingDB Entry DOI: 10.7270/Q2BP05CM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Protein G9a (G9a)
(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 | <15 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi Apptec (Tianjin) Co. Ltd.
Curated by ChEMBL
| Assay Description Inhibition of G9a (unknown origin) |
J Med Chem 61: 6546-6573 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01925 BindingDB Entry DOI: 10.7270/Q2BP05CM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA (cytosine-5)-methyltransferase 1
(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
UniProtKB/SwissProt
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| n/a | n/a | 2.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi Apptec (Tianjin) Co. Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human DNMT1 using polydeoxyinosine polydeoxycytosine DNA as substrate after 15 mins in presence of SAM by TR-FRET assay |
J Med Chem 61: 6546-6573 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01925 BindingDB Entry DOI: 10.7270/Q2BP05CM |
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1/EHMT2
(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 | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Imperial College London
Curated by ChEMBL
| Assay Description Inhibition of G9a (unknown origin) using [histone H3 1 to 25 residues] and SAM substrate by scintillation proximity assay |
Medchemcomm 5: 1821-1828 (2014)
Article DOI: 10.1039/c4md00274a BindingDB Entry DOI: 10.7270/Q2V127VK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone-lysine N-methyltransferase EHMT1/EHMT2
(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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of human G9a using core histone H3 as substrate incubated for 1 hr in presence of [3H]-SAM by filter binding method |
Eur J Med Chem 184: (2019)
Article DOI: 10.1016/j.ejmech.2019.111755 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone-lysine N-methyltransferase EHMT1/EHMT2
(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 | <15 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of G9a (unknown origin) |
Eur J Med Chem 184: (2019)
Article DOI: 10.1016/j.ejmech.2019.111755 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone-lysine N-methyltransferase EHMT1/EHMT2
(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
Reactome pathway KEGG
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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 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Histone-lysine N-methyltransferase EHMT1/EHMT2
(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 | 26 | 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 EHMT2 (785 to 1210 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 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Spindlin-1
(Homo sapiens) | 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
KEGG
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| Article PubMed
| n/a | n/a | 3.20E+3 | 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 biotin-H3(1-23)K4me3 binding to recombinant human C-terminal His6-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 ... |
J Med Chem 62: 8996-9007 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00522 |
More data for this Ligand-Target Pair | |
Spindlin-1
(Homo sapiens) | 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
KEGG
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| Article PubMed
| n/a | n/a | 7.40E+3 | 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 FL-H3K4me3 binding to recombinant human C-terminal His6-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) cell... |
J Med Chem 62: 8996-9007 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00522 |
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1/EHMT2
(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 | 25 | 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 recombinant human G9a using biotinylated-Histone H3 peptide (1 to 21 residues) after 30 mins in presence of SAM by AlphaLISA assay |
J Med Chem 62: 2666-2689 (2019)
Article DOI: 10.1021/acs.jmedchem.8b02008 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone-lysine N-methyltransferase EHMT1/EHMT2
(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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| PDB Article PubMed
| n/a | n/a | n/a | 1.42E+3 | n/a | n/a | n/a | n/a | n/a |
The University of Texas M.D. Anderson Cancer Center
Curated by ChEMBL
| Assay Description Binding affinity to human His-tagged G9a expressed in Escherichia coli Rosetta (DE3) after 30 mins by MST binding assay |
J Med Chem 62: 2666-2689 (2019)
Article DOI: 10.1021/acs.jmedchem.8b02008 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone-lysine N-methyltransferase EHMT1/EHMT2
(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
Reactome pathway KEGG
UniProtKB/SwissProt
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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 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
DNA (cytosine-5)-methyltransferase 1
(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 | 1.07E+5 | 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 N-terminal GST-tagged recombinant full length human DNMT1 (2 to 1632 residues) using poly(dI-dC)):poly(dI-dC) as substrate preincubated... |
J Med Chem 62: 2666-2689 (2019)
Article DOI: 10.1021/acs.jmedchem.8b02008 |
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1/EHMT2
(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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| PDB Article PubMed
| n/a | n/a | 15 | 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 G9a (unknown origin) |
J Med Chem 62: 2666-2689 (2019)
Article DOI: 10.1021/acs.jmedchem.8b02008 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone-lysine N-methyltransferase EHMT1/EHMT2
(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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| PDB Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Medical University
Curated by ChEMBL
| Assay Description Inhibition G9a (unknown origin) |
Eur J Med Chem 179: 537-546 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.072 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Protein G9a (G9a)
(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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| PDB Article PubMed
| n/a | n/a | 12 | 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 G9a 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 | 3D Structure (crystal) |
Protein G9a (G9a)
(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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| PDB Article PubMed
| n/a | n/a | 120 | 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 G9a in human IMR90 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western 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 | 3D Structure (crystal) |