Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase, H3 lysine-79 specific' and Ligand = 'BDBM50460740'   

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))	BDBM50460740 (CHEMBL4228404) Show SMILES CN(C)c1ccc(cc1)-c1nnc2sc(\C=C\c3ccco3)nn12 Show InChI InChI=1S/C17H15N5OS/c1-21(2)13-7-5-12(6-8-13)16-18-19-17-22(16)20-15(24-17)10-9-14-4-3-11-23-14/h3-11H,1-2H3/b10-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-SUMO tagged DOT1L (1 to 416 residues) expressed in Escherichia coli BL21(DE3) using oligonucleosome as substrate...				Bioorg Med Chem 26: 1751-1758 (2018) Article DOI: 10.1016/j.bmc.2018.02.020 BindingDB Entry DOI: 10.7270/Q2319ZHM
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific (Homo sapiens (Human))	BDBM50460740 (CHEMBL4228404) Show SMILES CN(C)c1ccc(cc1)-c1nnc2sc(\C=C\c3ccco3)nn12 Show InChI InChI=1S/C17H15N5OS/c1-21(2)13-7-5-12(6-8-13)16-18-19-17-22(16)20-15(24-17)10-9-14-4-3-11-23-14/h3-11H,1-2H3/b10-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-SUMO tagged DOT1L (1 to 416 residues) expressed in Escherichia coli BL21(DE3) using oligonucleosome as substrate...				Bioorg Med Chem 26: 1751-1758 (2018) Article DOI: 10.1016/j.bmc.2018.02.020 BindingDB Entry DOI: 10.7270/Q2319ZHM
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific (Homo sapiens (Human))	BDBM50460740 (CHEMBL4228404) Show SMILES CN(C)c1ccc(cc1)-c1nnc2sc(\C=C\c3ccco3)nn12 Show InChI InChI=1S/C17H15N5OS/c1-21(2)13-7-5-12(6-8-13)16-18-19-17-22(16)20-15(24-17)10-9-14-4-3-11-23-14/h3-11H,1-2H3/b10-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Binding affinity to recombinant human His6-SUMO tagged DOT1L (1 to 416 residues) expressed in Escherichia coli BL21(DE3) by surface plasmon resonance...				Bioorg Med Chem 26: 1751-1758 (2018) Article DOI: 10.1016/j.bmc.2018.02.020 BindingDB Entry DOI: 10.7270/Q2319ZHM
					More data for this Ligand-Target Pair