Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'N-lysine methyltransferase SMYD2' and Ligand = 'BDBM283136'   

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))	BDBM283136 (N-[1-{N′-cyano-N-[3-(difluoromethoxy)phenyl]...) Show SMILES CC(C)(O)C(=O)NC1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N |c:10| Show InChI InChI=1S/C22H20Cl2F2N6O3/c1-22(2,34)19(33)30-17-10-32(31-18(17)12-6-7-15(23)16(24)8-12)21(28-11-27)29-13-4-3-5-14(9-13)35-20(25)26/h3-9,17,20,34H,10H2,1-2H3,(H,28,29)(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	296	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))	BDBM283136 (N-[1-{N′-cyano-N-[3-(difluoromethoxy)phenyl]...) Show SMILES CC(C)(O)C(=O)NC1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N |c:10| Show InChI InChI=1S/C22H20Cl2F2N6O3/c1-22(2,34)19(33)30-17-10-32(31-18(17)12-6-7-15(23)16(24)8-12)21(28-11-27)29-13-4-3-5-14(9-13)35-20(25)26/h3-9,17,20,34H,10H2,1-2H3,(H,28,29)(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	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