Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase SMYD3' and Ligand = 'BDBM378465'   

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))	BDBM378465 (6-chloro-2-oxo-N-((1R,3S,5S)-8-((((S)-piperidin-3-...) Show SMILES Clc1cc2NC(=O)Cc2cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCCNC1 |r,TLB:22:21:15.14.20:18.17| 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-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.12	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))	BDBM378465 (6-chloro-2-oxo-N-((1R,3S,5S)-8-((((S)-piperidin-3-...) Show SMILES Clc1cc2NC(=O)Cc2cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCCNC1 |r,TLB:22:21:15.14.20:18.17| 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-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.99	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