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 = 'BDBM50397001'   

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))	BDBM50397001 (CHEMBL2170984) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCOC(=O)Nc2ccccc2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H24N6O5S/c21-17-14-18(23-10-22-17)26(11-24-14)19-16(28)15(27)13(31-19)9-32-8-4-7-30-20(29)25-12-5-2-1-3-6-12/h1-3,5-6,10-11,13,15-16,19,27-28H,4,7-9H2,(H,25,29)(H2,21,22,23)/t13-,15-,16-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+4	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 Competitive inhibition of recombinant human DOT1L using adenosine/deazaadenosine as substrate and SAM cofactor				J Med Chem 56: 8972-83 (2013) Article DOI: 10.1021/jm4007752 BindingDB Entry DOI: 10.7270/Q2D50PDQ
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific (Homo sapiens (Human))	BDBM50397001 (CHEMBL2170984) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCOC(=O)Nc2ccccc2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H24N6O5S/c21-17-14-18(23-10-22-17)26(11-24-14)19-16(28)15(27)13(31-19)9-32-8-4-7-30-20(29)25-12-5-2-1-3-6-12/h1-3,5-6,10-11,13,15-16,19,27-28H,4,7-9H2,(H,25,29)(H2,21,22,23)/t13-,15-,16-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+4	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
					More data for this Ligand-Target Pair