Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50030679   

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 EHMT2 (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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE 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
					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 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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
					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 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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
					More data for this Ligand-Target Pair				3D Structure (docked)
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50300028 (CHEMBL569864 | N-(1-benzylpiperidin-4-yl)-6,7-dime...) Show SMILES COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCCN(C)CC1 Show InChI InChI=1S/C28H38N6O2/c1-32-12-7-13-34(17-16-32)28-30-24-19-26(36-3)25(35-2)18-23(24)27(31-28)29-22-10-14-33(15-11-22)20-21-8-5-4-6-9-21/h4-6,8-9,18-19,22H,7,10-17,20H2,1-3H3,(H,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	110	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
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50300030 (6,7-Dimaethoxy-2-(4-methylpiperazin-1-yl)-N-(1-met...) Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCN(C)CC1 Show InChI InChI=1S/C21H32N6O2/c1-25-7-5-15(6-8-25)22-20-16-13-18(28-3)19(29-4)14-17(16)23-21(24-20)27-11-9-26(2)10-12-27/h13-15H,5-12H2,1-4H3,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	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
Histone-lysine N-methyltransferase EHMT2 (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 UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50300028 (CHEMBL569864 | N-(1-benzylpiperidin-4-yl)-6,7-dime...) Show SMILES COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCCN(C)CC1 Show InChI InChI=1S/C28H38N6O2/c1-32-12-7-13-34(17-16-32)28-30-24-19-26(36-3)25(35-2)18-23(24)27(31-28)29-22-10-14-33(15-11-22)20-21-8-5-4-6-9-21/h4-6,8-9,18-19,22H,7,10-17,20H2,1-3H3,(H,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	290	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
Histone-lysine N-methyltransferase EHMT2 (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 UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50300031 (6,7-Dimethoxy-N-(1-methylpiperidin-4-yl)-2-(piperi...) Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCCC1 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 UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	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
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50300031 (6,7-Dimethoxy-N-(1-methylpiperidin-4-yl)-2-(piperi...) Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCCC1 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 UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	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
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50300030 (6,7-Dimaethoxy-2-(4-methylpiperazin-1-yl)-N-(1-met...) Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCN(C)CC1 Show InChI InChI=1S/C21H32N6O2/c1-25-7-5-15(6-8-25)22-20-16-13-18(28-3)19(29-4)14-17(16)23-21(24-20)27-11-9-26(2)10-12-27/h13-15H,5-12H2,1-4H3,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	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
Histone-lysine N-methyltransferase EHMT1 (Homo sapiens (Human))	BDBM50300028 (CHEMBL569864 | N-(1-benzylpiperidin-4-yl)-6,7-dime...) Show SMILES COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCCN(C)CC1 Show InChI InChI=1S/C28H38N6O2/c1-32-12-7-13-34(17-16-32)28-30-24-19-26(36-3)25(35-2)18-23(24)27(31-28)29-22-10-14-33(15-11-22)20-21-8-5-4-6-9-21/h4-6,8-9,18-19,22H,7,10-17,20H2,1-3H3,(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of GLP				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 (crystal)
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50300032 (6,7-Dimethoxy-N-(1-methylpiperidin-4-yl)-2-morphol...) Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCOCC1 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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	810	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				3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50300034 (6,7-Dimethoxy-N2,N2-dimethyl-N4-(1-methylpiperidin...) Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)C 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 UniProtKB/SwissProt 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
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
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50300033 (CHEMBL585180 | N2,N2-diethyl-6,7-dimethoxy-N4-(1-m...) Show SMILES CCN(CC)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1 Show InChI InChI=1S/C20H31N5O2/c1-6-25(7-2)20-22-16-13-18(27-5)17(26-4)12-15(16)19(23-20)21-14-8-10-24(3)11-9-14/h12-14H,6-11H2,1-5H3,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	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
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50300034 (6,7-Dimethoxy-N2,N2-dimethyl-N4-(1-methylpiperidin...) Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)C 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 UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	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
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50300032 (6,7-Dimethoxy-N-(1-methylpiperidin-4-yl)-2-morphol...) Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCOCC1 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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.60E+3	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50300028 (CHEMBL569864 | N-(1-benzylpiperidin-4-yl)-6,7-dime...) Show SMILES COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCCN(C)CC1 Show InChI InChI=1S/C28H38N6O2/c1-32-12-7-13-34(17-16-32)28-30-24-19-26(36-3)25(35-2)18-23(24)27(31-28)29-22-10-14-33(15-11-22)20-21-8-5-4-6-9-21/h4-6,8-9,18-19,22H,7,10-17,20H2,1-3H3,(H,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of G9a				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
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50300038 (CHEMBL568964 | N-Cyclopropyl-6,7-dimethoxy-2-(4-me...) Show SMILES COc1cc2nc(nc(NC3CC3)c2cc1OC)N1CCCN(C)CC1 Show InChI InChI=1S/C19H27N5O2/c1-23-7-4-8-24(10-9-23)19-21-15-12-17(26-3)16(25-2)11-14(15)18(22-19)20-13-5-6-13/h11-13H,4-10H2,1-3H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+3	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
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50300039 (CHEMBL570799 | N-Isopropyl-6,7-dimethoxy-2-(4-meth...) Show SMILES COc1cc2nc(nc(NC(C)C)c2cc1OC)N1CCCN(C)CC1 Show InChI InChI=1S/C19H29N5O2/c1-13(2)20-18-14-11-16(25-4)17(26-5)12-15(14)21-19(22-18)24-8-6-7-23(3)9-10-24/h11-13H,6-10H2,1-5H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	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
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50300033 (CHEMBL585180 | N2,N2-diethyl-6,7-dimethoxy-N4-(1-m...) Show SMILES CCN(CC)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1 Show InChI InChI=1S/C20H31N5O2/c1-6-25(7-2)20-22-16-13-18(27-5)17(26-4)12-15(16)19(23-20)21-14-8-10-24(3)11-9-14/h12-14H,6-11H2,1-5H3,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+3	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
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50300040 (2-chloro-6,7-dimethoxy-N-(1-methylpiperidin-4-yl)q...) Show SMILES COc1cc2nc(Cl)nc(NC3CCN(C)CC3)c2cc1OC Show InChI InChI=1S/C16H21ClN4O2/c1-21-6-4-10(5-7-21)18-15-11-8-13(22-2)14(23-3)9-12(11)19-16(17)20-15/h8-10H,4-7H2,1-3H3,(H,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10E+3	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
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50300036 (6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(te...) Show SMILES COc1cc2nc(nc(NC3CCOCC3)c2cc1OC)N1CCCN(C)CC1 Show InChI InChI=1S/C21H31N5O3/c1-25-7-4-8-26(10-9-25)21-23-17-14-19(28-3)18(27-2)13-16(17)20(24-21)22-15-5-11-29-12-6-15/h13-15H,4-12H2,1-3H3,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50300037 (CHEMBL568963 | N-Cyclohexyl-6,7-dimethoxy-2-(4-met...) Show SMILES COc1cc2nc(nc(NC3CCCCC3)c2cc1OC)N1CCCN(C)CC1 Show InChI InChI=1S/C22H33N5O2/c1-26-10-7-11-27(13-12-26)22-24-18-15-20(29-3)19(28-2)14-17(18)21(25-22)23-16-8-5-4-6-9-16/h14-16H,4-13H2,1-3H3,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50300035 (6,7-Dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(pi...) Show SMILES COc1cc2nc(nc(NC3CCNCC3)c2cc1OC)N1CCCN(C)CC1 Show InChI InChI=1S/C21H32N6O2/c1-26-9-4-10-27(12-11-26)21-24-17-14-19(29-3)18(28-2)13-16(17)20(25-21)23-15-5-7-22-8-6-15/h13-15,22H,4-12H2,1-3H3,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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
Histone-lysine N-methyltransferase EHMT2 (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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE 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
					More data for this Ligand-Target Pair				3D Structure (crystal)