BindingDB PrimarySearch

BDBM50300041 7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine::7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine::CHEMBL576781::UNC0224

SMILES: COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N1CCCN(C)CC1

InChI Key: InChIKey=XIVUGRBSBIXXJE-UHFFFAOYSA-N

Data: 2 KI 16 IC50 2 Kd

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50300041
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Protein G9a (G9a) (Homo sapiens (Human))	BDBM50300041 (7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human recombinant G9a catalytic domain amino acid 913 to 1193 expressed in Escherichia coli BL21 (DE3) by isothermal titration ca...				Eur J Med Chem 56: 179-194 (2012) Article DOI: 10.1016/j.ejmech.2012.08.010 BindingDB Entry DOI: 10.7270/Q2TQ62NX
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein G9a (G9a) (Homo sapiens (Human))	BDBM50300041 (7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.60	n/a	n/a	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
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein G9a (G9a) (Homo sapiens (Human))	BDBM50300041 (7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	15	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 Thioglo assay				J Med Chem 52: 7950-3 (2009) Article DOI: 10.1021/jm901543m BindingDB Entry DOI: 10.7270/Q2542NP4
University of North Carolina Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT1 (Homo sapiens (Human))	BDBM50300041 (7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	50	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)
Protein arginine methyltransferase 3 (PRMT3) (Homo sapiens (Human))	BDBM50300041 (7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...) Show SMILES Show InChI	PDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	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 PRMT3 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
Protein G9a (G9a) (Homo sapiens (Human))	BDBM50300041 (7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.70E+4	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				3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT1 (Homo sapiens (Human))	BDBM50300041 (7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	58	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 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				3D Structure (docked)
Protein G9a (G9a) (Homo sapiens (Human))	BDBM50300041 (7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.30E+4	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				3D Structure (crystal)
Protein G9a (G9a) (Homo sapiens (Human))	BDBM50300041 (7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>5.00E+3	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))	BDBM50300041 (7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Binding affinity to G9a by isothermal titration calorimetry				J Med Chem 52: 7950-3 (2009) Article DOI: 10.1021/jm901543m BindingDB Entry DOI: 10.7270/Q2542NP4
University of North Carolina Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein G9a (G9a) (Homo sapiens (Human))	BDBM50300041 (7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Binding affinity to G9a by isothermal titration colorimetry				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 (crystal)
SET domain-containing protein 7/9 (Set7/9) (Homo sapiens (Human))	BDBM50300041 (7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	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 SET7/9 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
Protein G9a (G9a) (Homo sapiens (Human))	BDBM50300041 (7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of lysine methyltransferase G9a				Bioorg Med Chem 19: 3605-15 (2011) Article DOI: 10.1016/j.bmc.2011.01.029 BindingDB Entry DOI: 10.7270/Q2SN0992
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein G9a (G9a) (Homo sapiens (Human))	BDBM50300041 (7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	43	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))	BDBM50300041 (7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	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
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
SET domain-containing protein 8 (SetD8) (Homo sapiens (Human))	BDBM50300041 (7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	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 SET8/preSet7 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))	BDBM50300041 (7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	23	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
Mercachem BV Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Histone-lysine N-methyltransferase EHMT1/EHMT2 (Homo sapiens (Human))	BDBM50300041 (7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	60	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
Mercachem BV Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT1 (Homo sapiens (Human))	BDBM50300041 (7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	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
University of North Carolina Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Histone-lysine N-methyltransferase EHMT1 (Homo sapiens (Human))	BDBM50300041 (7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	58	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 Alpha screen assay				J Med Chem 52: 7950-3 (2009) Article DOI: 10.1021/jm901543m BindingDB Entry DOI: 10.7270/Q2542NP4
University of North Carolina Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)