Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase, H3 lysine-79 specific' and Ligand = 'BDBM50501645'   

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))	BDBM50501645 (CHEMBL4084281) Show SMILES Fc1cccc(c1)-c1nn2c(Cn3nnc4ccccc34)nnc2s1 Show InChI InChI=1S/C16H10FN7S/c17-11-5-3-4-10(8-11)15-21-24-14(19-20-16(24)25-15)9-23-13-7-2-1-6-12(13)18-22-23/h1-8H,9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human DOT1L (1 to 416 residues) expressed in Escherichia coli BL21(DE3) at preincubated for 15 mins followed by ...				J Med Chem 60: 2026-2036 (2017) Article DOI: 10.1021/acs.jmedchem.6b01785 BindingDB Entry DOI: 10.7270/Q2SX6H7P
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific (Homo sapiens (Human))	BDBM50501645 (CHEMBL4084281) Show SMILES Fc1cccc(c1)-c1nn2c(Cn3nnc4ccccc34)nnc2s1 Show InChI InChI=1S/C16H10FN7S/c17-11-5-3-4-10(8-11)15-21-24-14(19-20-16(24)25-15)9-23-13-7-2-1-6-12(13)18-22-23/h1-8H,9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of DOT1L in human MV4-11 cells assessed as reduction in cell viability after 72 hrs by alamar blue assay				J Med Chem 60: 2026-2036 (2017) Article DOI: 10.1021/acs.jmedchem.6b01785 BindingDB Entry DOI: 10.7270/Q2SX6H7P
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific (Homo sapiens (Human))	BDBM50501645 (CHEMBL4084281) Show SMILES Fc1cccc(c1)-c1nn2c(Cn3nnc4ccccc34)nnc2s1 Show InChI InChI=1S/C16H10FN7S/c17-11-5-3-4-10(8-11)15-21-24-14(19-20-16(24)25-15)9-23-13-7-2-1-6-12(13)18-22-23/h1-8H,9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.81E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of DOT1L in human KOPN8 cells assessed as reduction in cell viability after 72 hrs by alamar blue assay				J Med Chem 60: 2026-2036 (2017) Article DOI: 10.1021/acs.jmedchem.6b01785 BindingDB Entry DOI: 10.7270/Q2SX6H7P
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific (Homo sapiens (Human))	BDBM50501645 (CHEMBL4084281) Show SMILES Fc1cccc(c1)-c1nn2c(Cn3nnc4ccccc34)nnc2s1 Show InChI InChI=1S/C16H10FN7S/c17-11-5-3-4-10(8-11)15-21-24-14(19-20-16(24)25-15)9-23-13-7-2-1-6-12(13)18-22-23/h1-8H,9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of DOT1L in human THP-1 cells assessed as reduction in cell viability after 72 hrs by alamar blue assay				J Med Chem 60: 2026-2036 (2017) Article DOI: 10.1021/acs.jmedchem.6b01785 BindingDB Entry DOI: 10.7270/Q2SX6H7P
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific (Homo sapiens (Human))	BDBM50501645 (CHEMBL4084281) Show SMILES Fc1cccc(c1)-c1nn2c(Cn3nnc4ccccc34)nnc2s1 Show InChI InChI=1S/C16H10FN7S/c17-11-5-3-4-10(8-11)15-21-24-14(19-20-16(24)25-15)9-23-13-7-2-1-6-12(13)18-22-23/h1-8H,9H2	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	1.73E+4	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity to human N-terminal 6His-tagged DOT1L (1 to 416 residues) expressed in Escherichia coli BL21(DE3) after 150 secs by SPR-based bindin...				J Med Chem 60: 2026-2036 (2017) Article DOI: 10.1021/acs.jmedchem.6b01785 BindingDB Entry DOI: 10.7270/Q2SX6H7P
					More data for this Ligand-Target Pair