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 = 'BDBM50535036'   

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))	BDBM50535036 (CHEMBL4452414) Show SMILES Nc1ncnc2ccc(cc12)N(CC#CC(O)c1nccn1CCO)c1c(Cl)cccc1Cl Show InChI InChI=1S/C23H20Cl2N6O2/c24-17-3-1-4-18(25)21(17)31(15-6-7-19-16(13-15)22(26)29-14-28-19)9-2-5-20(33)23-27-8-10-30(23)11-12-32/h1,3-4,6-8,10,13-14,20,32-33H,9,11-12H2,(H2,26,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human DOTL1 (2 to 416 residues)-mediated methylation of nucleosome preincubated for 30 mins followed by addition of S-[methyl-3H-] aden...				ACS Med Chem Lett 7: 730-4 (2016) Article DOI: 10.1021/acsmedchemlett.6b00168 BindingDB Entry DOI: 10.7270/Q2N87F8W
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific (Homo sapiens (Human))	BDBM50535036 (CHEMBL4452414) Show SMILES Nc1ncnc2ccc(cc12)N(CC#CC(O)c1nccn1CCO)c1c(Cl)cccc1Cl Show InChI InChI=1S/C23H20Cl2N6O2/c24-17-3-1-4-18(25)21(17)31(15-6-7-19-16(13-15)22(26)29-14-28-19)9-2-5-20(33)23-27-8-10-30(23)11-12-32/h1,3-4,6-8,10,13-14,20,32-33H,9,11-12H2,(H2,26,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01208 BindingDB Entry DOI: 10.7270/Q25X2DZR
					More data for this Ligand-Target Pair