BDBM50300029 6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine::CHEMBL578227
SMILES: COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1
InChI Key: InChIKey=KZOJJUVZAJGNQV-UHFFFAOYSA-N
Data: 6 IC50
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)) | BDBM50300029 (6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Curated by ChEMBL | Assay Description Inhibition of G9a by Alpha screen 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 | |||||||||||||
Protein G9a (G9a) (Homo sapiens (Human)) | BDBM50300029 (6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.30E+5 | 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 methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling 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 | |||||||||||||
Histone-lysine N-methyltransferase EHMT1/EHMT2 (Homo sapiens (Human)) | BDBM50300029 (6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-...) | 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 | |||||||||||||
Protein G9a (G9a) (Homo sapiens (Human)) | BDBM50300029 (6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.30E+5 | 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 G9a 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 | |||||||||||||
Histone-lysine N-methyltransferase EHMT1/EHMT2 (Homo sapiens (Human)) | BDBM50300029 (6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9 | 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 G9a catalytic SET domain (913 to 1193 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 | |||||||||||||
Protein G9a (G9a) (Homo sapiens (Human)) | BDBM50300029 (6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Curated by ChEMBL | Assay Description Inhibition of G9a by Alpha screen 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 |