Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'N-lysine methyltransferase SMYD2' and Ligand = 'BDBM283156'   

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
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM283156 (N-[1-{N′-cyano-N-[2-fluoro-3-(trifluorometho...) Show SMILES CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)(F)F)c1F)=N/C#N)C(=O)CO |c:6| Show InChI InChI=1S/C22H18Cl2F4N6O3/c1-2-33(18(36)10-35)16-9-34(32-20(16)12-6-7-13(23)14(24)8-12)21(30-11-29)31-15-4-3-5-17(19(15)25)37-22(26,27)28/h3-8,16,35H,2,9-10H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	54.1	n/a	n/a	n/a	n/a	9.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description SMYD2 inhibitory activities of the compounds described in the present invention were quantified using a scintillation proximity assay (SPA) which mea...				US Patent US10023539 (2018) BindingDB Entry DOI: 10.7270/Q2MG7RKD
					More data for this Ligand-Target Pair
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM283156 (N-[1-{N′-cyano-N-[2-fluoro-3-(trifluorometho...) Show SMILES CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)(F)F)c1F)=N/C#N)C(=O)CO |c:6| Show InChI InChI=1S/C22H18Cl2F4N6O3/c1-2-33(18(36)10-35)16-9-34(32-20(16)12-6-7-13(23)14(24)8-12)21(30-11-29)31-15-4-3-5-17(19(15)25)37-22(26,27)28/h3-8,16,35H,2,9-10H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.66E+3	n/a	n/a	n/a	n/a	9.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description SMYD2 inhibitory activities of the compounds described in the present invention were quantified using a scintillation proximity assay (SPA) which mea...				US Patent US10023539 (2018) BindingDB Entry DOI: 10.7270/Q2MG7RKD
					More data for this Ligand-Target Pair