Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase SMYD3' and Ligand = 'BDBM50509611'   

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))	BDBM50509611 (CHEMBL4573978) Show SMILES N[C@H]1CC[C@@H](CC1)S(=O)(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:4.7,wD:1.0,(20.36,-52.28,;19.03,-51.5,;19.04,-49.95,;17.7,-49.16,;16.37,-49.93,;16.35,-51.48,;17.68,-52.26,;15.03,-49.16,;14.26,-47.82,;15.8,-47.81,;13.7,-49.93,;12.37,-49.15,;11.04,-49.93,;11.04,-51.47,;12.37,-52.23,;13.7,-51.47,;9.71,-52.24,;8.38,-51.47,;8.38,-49.93,;7.04,-52.24,;6.89,-53.78,;5.39,-54.1,;4.61,-52.77,;5.64,-51.62,;4.77,-55.51,;3.52,-56.41,;4.93,-57.04,)| Show InChI InChI=1S/C18H28N4O4S/c19-13-3-5-15(6-4-13)27(24,25)22-9-7-14(8-10-22)20-18(23)16-11-17(26-21-16)12-1-2-12/h11-15H,1-10,19H2,(H,20,23)/t13-,15-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal FLAG/His-tagged SMYD3 (unknown origin) expressed in baculovirus infected insect cells using 3H-SAM as substrate ...				ACS Med Chem Lett 11: 133-140 (2020) Article DOI: 10.1021/acsmedchemlett.9b00493 BindingDB Entry DOI: 10.7270/Q2W66Q2M
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50509611 (CHEMBL4573978) Show SMILES N[C@H]1CC[C@@H](CC1)S(=O)(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:4.7,wD:1.0,(20.36,-52.28,;19.03,-51.5,;19.04,-49.95,;17.7,-49.16,;16.37,-49.93,;16.35,-51.48,;17.68,-52.26,;15.03,-49.16,;14.26,-47.82,;15.8,-47.81,;13.7,-49.93,;12.37,-49.15,;11.04,-49.93,;11.04,-51.47,;12.37,-52.23,;13.7,-51.47,;9.71,-52.24,;8.38,-51.47,;8.38,-49.93,;7.04,-52.24,;6.89,-53.78,;5.39,-54.1,;4.61,-52.77,;5.64,-51.62,;4.77,-55.51,;3.52,-56.41,;4.93,-57.04,)| Show InChI InChI=1S/C18H28N4O4S/c19-13-3-5-15(6-4-13)27(24,25)22-9-7-14(8-10-22)20-18(23)16-11-17(26-21-16)12-1-2-12/h11-15H,1-10,19H2,(H,20,23)/t13-,15-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	71	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant SMYD3 (unknown origin) transfected in human HEK293 cells assessed as reduction in MEKK2 methylation incubated for 24 hrs by...				ACS Med Chem Lett 11: 133-140 (2020) Article DOI: 10.1021/acsmedchemlett.9b00493 BindingDB Entry DOI: 10.7270/Q2W66Q2M
					More data for this Ligand-Target Pair