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 = 'BDBM50604419'   

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))	BDBM50604419 (CHEMBL5196874) Show SMILES CC(C)N(C[C@H]1C[C@H]([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)[C@@H]1C[C@H](CCc2nc3cc(ccc3[nH]2)C(C)(C)C)C1 |r,wU:7.12,5.4,22.24,24.27,wD:10.11,8.8,(-4.23,1.42,;-3.15,2.51,;-3.54,4,;-1.66,2.11,;-.57,3.2,;.92,2.8,;2.16,3.71,;3.41,2.8,;2.93,1.34,;3.7,0,;1.39,1.34,;.62,0,;4.9,3.2,;5.45,4.64,;6.99,4.56,;7.39,3.07,;8.76,2.37,;10.09,3.14,;8.84,.83,;7.55,-.01,;6.18,.69,;6.1,2.23,;-1.26,.62,;-2.03,-.71,;-.67,-1.49,;-.28,-2.98,;-1.36,-4.07,;-2.85,-3.67,;-3.4,-2.23,;-4.94,-2.31,;-6.03,-1.22,;-7.52,-1.63,;-7.91,-3.11,;-6.82,-4.2,;-5.34,-3.8,;-4.05,-4.64,;-8.61,-.54,;-10.09,-.94,;-8.21,.95,;-9.69,.55,;.1,-.16,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02228 BindingDB Entry DOI: 10.7270/Q2W95F8N
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