Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'N-lysine methyltransferase SMYD2' and Ligand = 'BDBM283179'   

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))	BDBM283179 (N-[1-{N′-cyano-N-[3-(2,2,2-trifluoroethyl)ph...) Show SMILES CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(CC(F)(F)F)c1)=N/C#N)C(=O)CO |c:6| Show InChI InChI=1S/C23H21Cl2F3N6O2/c1-2-33(20(36)12-35)19-11-34(32-21(19)15-6-7-17(24)18(25)9-15)22(30-13-29)31-16-5-3-4-14(8-16)10-23(26,27)28/h3-9,19,35H,2,10-12H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	53	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))	BDBM283179 (N-[1-{N′-cyano-N-[3-(2,2,2-trifluoroethyl)ph...) Show SMILES CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(CC(F)(F)F)c1)=N/C#N)C(=O)CO |c:6| Show InChI InChI=1S/C23H21Cl2F3N6O2/c1-2-33(20(36)12-35)19-11-34(32-21(19)15-6-7-17(24)18(25)9-15)22(30-13-29)31-16-5-3-4-14(8-16)10-23(26,27)28/h3-9,19,35H,2,10-12H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	763	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