Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase SMYD3' and Ligand = 'BDBM378491'   

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 SMYD3 (Homo sapiens (Human))	BDBM378491 (N-(1-((3-aminopropyl)sulfonyl)piperidin-4-yl)-2-ox...) Show SMILES NCCCS(=O)(=O)N1CCC(CC1)NC(=O)c1ccc2NC(=O)Cc2c1 Show InChI InChI=1S/C17H24N4O4S/c18-6-1-9-26(24,25)21-7-4-14(5-8-21)19-17(23)12-2-3-15-13(10-12)11-16(22)20-15/h2-3,10,14H,1,4-9,11,18H2,(H,19,23)(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	159	n/a	n/a	n/a	n/a	n/a	n/a
ENSCMu					Assay Description The assays were all performed in a buffer consisting of 25 mM Tris-Cl pH 8.0, 1 mM TCEP, 0.005% BSG, and 0.005% Tween 20, prepared on the day of use....				Bioorg Med Chem 14: 7241-57 (2006) BindingDB Entry DOI: 10.7270/Q2DJ5HX2
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM378491 (N-(1-((3-aminopropyl)sulfonyl)piperidin-4-yl)-2-ox...) Show SMILES NCCCS(=O)(=O)N1CCC(CC1)NC(=O)c1ccc2NC(=O)Cc2c1 Show InChI InChI=1S/C17H24N4O4S/c18-6-1-9-26(24,25)21-7-4-14(5-8-21)19-17(23)12-2-3-15-13(10-12)11-16(22)20-15/h2-3,10,14H,1,4-9,11,18H2,(H,19,23)(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme Inc. Curated by ChEMBL					Assay Description Inhibition of full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using N-terminal GST-tagged ...				ACS Med Chem Lett 7: 134-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00272 BindingDB Entry DOI: 10.7270/Q2NG4TPR
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM378491 (N-(1-((3-aminopropyl)sulfonyl)piperidin-4-yl)-2-ox...) Show SMILES NCCCS(=O)(=O)N1CCC(CC1)NC(=O)c1ccc2NC(=O)Cc2c1 Show InChI InChI=1S/C17H24N4O4S/c18-6-1-9-26(24,25)21-7-4-14(5-8-21)19-17(23)12-2-3-15-13(10-12)11-16(22)20-15/h2-3,10,14H,1,4-9,11,18H2,(H,19,23)(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme Inc. Curated by ChEMBL					Assay Description Inhibition of human SMYD3 expressed in HEK293T/17 cells using FLAG-tagged MEKK2 as substrate incubated for 30 mins in low air flow area followed by i...				ACS Med Chem Lett 7: 134-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00272 BindingDB Entry DOI: 10.7270/Q2NG4TPR
					More data for this Ligand-Target Pair