Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50043789   

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))	BDBM50446378 (CHEMBL3109639) Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C2(C)C |t:19| Show InChI InChI=1S/C18H27N3O2/c1-18(2)13-11-15(22-3)16(12-14(13)20-17(18)19)23-10-6-9-21-7-4-5-8-21/h11-12H,4-10H2,1-3H3,(H2,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay				ACS Med Chem Lett 5: 205-9 (2014) Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50446386 (CHEMBL3109631) Show SMILES COc1cc2c(cc1OCC1CCN(C)C1)N=C(N)C21CCC1 |t:18| Show InChI InChI=1S/C18H25N3O2/c1-21-7-4-12(10-21)11-23-16-9-14-13(8-15(16)22-2)18(5-3-6-18)17(19)20-14/h8-9,12H,3-7,10-11H2,1-2H3,(H2,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay				ACS Med Chem Lett 5: 205-9 (2014) Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin)-mediated incorporation of methyl group from [3H]-SAM into peptide substrate by scintillation proximity assay				ACS Med Chem Lett 5: 205-9 (2014) Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT2 (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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay				ACS Med Chem Lett 5: 205-9 (2014) Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50446380 (CHEMBL3109637) Show SMILES COc1cc2c(cc1OCCCN1CC[C@@H](F)C1)N=C(N)C21CCC1 |r,t:20| Show InChI InChI=1S/C19H26FN3O2/c1-24-16-10-14-15(22-18(21)19(14)5-2-6-19)11-17(16)25-9-3-7-23-8-4-13(20)12-23/h10-11,13H,2-9,12H2,1H3,(H2,21,22)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay				ACS Med Chem Lett 5: 205-9 (2014) Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50446383 (CHEMBL3109634) Show SMILES COc1cc2c(cc1OCCCN1CC(F)C1)N=C(N)C21CCC1 |t:19| Show InChI InChI=1S/C18H24FN3O2/c1-23-15-8-13-14(21-17(20)18(13)4-2-5-18)9-16(15)24-7-3-6-22-10-12(19)11-22/h8-9,12H,2-7,10-11H2,1H3,(H2,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay				ACS Med Chem Lett 5: 205-9 (2014) Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50446385 (CHEMBL3109632) Show SMILES COc1cc2c(cc1OCC1CCCN1C)N=C(N)C21CCC1 |t:18| Show InChI InChI=1S/C18H25N3O2/c1-21-8-3-5-12(21)11-23-16-10-14-13(9-15(16)22-2)18(6-4-7-18)17(19)20-14/h9-10,12H,3-8,11H2,1-2H3,(H2,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay				ACS Med Chem Lett 5: 205-9 (2014) Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50446379 (CHEMBL3109638) Show SMILES COc1cc2c(cc1OCCCN1CC[C@H](F)C1)N=C(N)C21CCC1 |r,t:20| Show InChI InChI=1S/C19H26FN3O2/c1-24-16-10-14-15(22-18(21)19(14)5-2-6-19)11-17(16)25-9-3-7-23-8-4-13(20)12-23/h10-11,13H,2-9,12H2,1H3,(H2,21,22)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay				ACS Med Chem Lett 5: 205-9 (2014) Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0
					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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of GLP (unknown origin)-mediated incorporation of methyl group from [3H]-SAM into peptide substrate by scintillation proximity assay				ACS Med Chem Lett 5: 205-9 (2014) Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50446384 (CHEMBL3109633) Show SMILES COc1cc2c(cc1OCCC1CCCN1C)N=C(N)C21CCC1 |t:19| Show InChI InChI=1S/C19H27N3O2/c1-22-9-3-5-13(22)6-10-24-17-12-15-14(11-16(17)23-2)19(7-4-8-19)18(20)21-15/h11-13H,3-10H2,1-2H3,(H2,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay				ACS Med Chem Lett 5: 205-9 (2014) Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50446391 (CHEMBL3109625) Show SMILES COc1cc2N=C(N)C3(CCC3)c2cc1OC |t:5| Show InChI InChI=1S/C13H16N2O2/c1-16-10-6-8-9(7-11(10)17-2)15-12(14)13(8)4-3-5-13/h6-7H,3-5H2,1-2H3,(H2,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	153	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay				ACS Med Chem Lett 5: 205-9 (2014) Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50446381 (CHEMBL3109636) Show SMILES COc1cc2c(cc1OCCCn1ccnc1)N=C(N)C21CCC1 |t:19| Show InChI InChI=1S/C18H22N4O2/c1-23-15-10-13-14(21-17(19)18(13)4-2-5-18)11-16(15)24-9-3-7-22-8-6-20-12-22/h6,8,10-12H,2-5,7,9H2,1H3,(H2,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	754	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay				ACS Med Chem Lett 5: 205-9 (2014) Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50446382 (CHEMBL3109635) Show SMILES COc1cc2c(cc1OCCCN1CC(F)(F)C1)N=C(N)C21CCC1 |t:20| Show InChI InChI=1S/C18H23F2N3O2/c1-24-14-8-12-13(22-16(21)17(12)4-2-5-17)9-15(14)25-7-3-6-23-10-18(19,20)11-23/h8-9H,2-7,10-11H2,1H3,(H2,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay				ACS Med Chem Lett 5: 205-9 (2014) Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50446390 (CHEMBL3109626) Show SMILES COc1cc2N=C(N)C3(CCCC3)c2cc1OC |t:5| Show InChI InChI=1S/C14H18N2O2/c1-17-11-7-9-10(8-12(11)18-2)16-13(15)14(9)5-3-4-6-14/h7-8H,3-6H2,1-2H3,(H2,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay				ACS Med Chem Lett 5: 205-9 (2014) Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50446389 (CHEMBL3109627) Show SMILES COc1cc2N=C(N)C3(CCCCC3)c2cc1OC |t:5| Show InChI InChI=1S/C15H20N2O2/c1-18-12-8-10-11(9-13(12)19-2)17-14(16)15(10)6-4-3-5-7-15/h8-9H,3-7H2,1-2H3,(H2,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay				ACS Med Chem Lett 5: 205-9 (2014) Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50446377 (CHEMBL3109640) Show SMILES COc1cc2c(cc1OCCCC1CCCC1)N=C(N)C2(C)C |t:19| Show InChI InChI=1S/C19H28N2O2/c1-19(2)14-11-16(22-3)17(12-15(14)21-18(19)20)23-10-6-9-13-7-4-5-8-13/h11-13H,4-10H2,1-3H3,(H2,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay				ACS Med Chem Lett 5: 205-9 (2014) Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50446387 (CHEMBL3109629) Show SMILES COc1cc2cc(N)[nH]c2cc1OC Show InChI InChI=1S/C10H12N2O2/c1-13-8-3-6-4-10(11)12-7(6)5-9(8)14-2/h3-5,12H,11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay				ACS Med Chem Lett 5: 205-9 (2014) Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50446388 (CHEMBL3109628) Show SMILES COc1ccc2N=C(N)C3(CCC3)c2c1 |t:6| Show InChI InChI=1S/C12H14N2O/c1-15-8-3-4-10-9(7-8)12(5-2-6-12)11(13)14-10/h3-4,7H,2,5-6H2,1H3,(H2,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay				ACS Med Chem Lett 5: 205-9 (2014) Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0
					More data for this Ligand-Target Pair