Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase SMYD3' and Ligand = 'BDBM50500875'   

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))	BDBM50500875 (CHEMBL3798745) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3CC(=O)Nc3cc1Cl)N2S(=O)(=O)C[C@H]1CCCNC1 |r| Show InChI InChI=1S/C22H29ClN4O4S/c23-19-10-20-14(7-21(28)26-20)6-18(19)22(29)25-15-8-16-3-4-17(9-15)27(16)32(30,31)12-13-2-1-5-24-11-13/h6,10,13,15-17,24H,1-5,7-9,11-12H2,(H,25,29)(H,26,28)/t13-,15-,16+,17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	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))	BDBM50500875 (CHEMBL3798745) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3CC(=O)Nc3cc1Cl)N2S(=O)(=O)C[C@H]1CCCNC1 |r| Show InChI InChI=1S/C22H29ClN4O4S/c23-19-10-20-14(7-21(28)26-20)6-18(19)22(29)25-15-8-16-3-4-17(9-15)27(16)32(30,31)12-13-2-1-5-24-11-13/h6,10,13,15-17,24H,1-5,7-9,11-12H2,(H,25,29)(H,26,28)/t13-,15-,16+,17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	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