Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase, H3 lysine-79 specific' and Ligand = 'BDBM50529549'   

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, H3 lysine-79 specific (Homo sapiens (Human))	BDBM50529549 (CHEMBL4448208) Show SMILES CS(=O)(=O)c1ccc(N[C@H](c2ccccn2)c2cccc(Cl)c2F)c(Nc2nccc(n2)C(N)=O)c1 |r| Show InChI InChI=1S/C24H20ClFN6O3S/c1-36(34,35)14-8-9-17(20(13-14)32-24-29-12-10-19(31-24)23(27)33)30-22(18-7-2-3-11-28-18)15-5-4-6-16(25)21(15)26/h2-13,22,30H,1H3,(H2,27,33)(H,29,31,32)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of 0.05 nM DOT1L (2 to 416 residues) (unknown origin) using biotinylated nucleosome as substrate and [3H]SAM as co-factor preincubated for...				ACS Med Chem Lett 10: 1655-1660 (2019) Article DOI: 10.1021/acsmedchemlett.9b00452 BindingDB Entry DOI: 10.7270/Q2RV0S5T
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific (Homo sapiens (Human))	BDBM50529549 (CHEMBL4448208) Show SMILES CS(=O)(=O)c1ccc(N[C@H](c2ccccn2)c2cccc(Cl)c2F)c(Nc2nccc(n2)C(N)=O)c1 |r| Show InChI InChI=1S/C24H20ClFN6O3S/c1-36(34,35)14-8-9-17(20(13-14)32-24-29-12-10-19(31-24)23(27)33)30-22(18-7-2-3-11-28-18)15-5-4-6-16(25)21(15)26/h2-13,22,30H,1H3,(H2,27,33)(H,29,31,32)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of 0.5 nM DOT1L (2 to 416 residues) (unknown origin) using biotinylated nucleosome as substrate and [3H]SAM as co-factor preincubated for ...				ACS Med Chem Lett 10: 1655-1660 (2019) Article DOI: 10.1021/acsmedchemlett.9b00452 BindingDB Entry DOI: 10.7270/Q2RV0S5T
					More data for this Ligand-Target Pair