Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase, H3 lysine-79 specific' and Ligand = 'BDBM50397007'   

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))	BDBM50397007 (CHEMBL2170978) Show SMILES CCOC(=O)NCCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C16H24N6O5S/c1-2-26-16(25)18-4-3-5-28-6-9-11(23)12(24)15(27-9)22-8-21-10-13(17)19-7-20-14(10)22/h7-9,11-12,15,23-24H,2-6H2,1H3,(H,18,25)(H2,17,19,20)/t9-,11-,12-,15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472) using [3H]-SAM after 30 mins by scintillation counter				J Med Chem 55: 8066-74 (2012) Article DOI: 10.1021/jm300917h BindingDB Entry DOI: 10.7270/Q2TD9ZGG
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