Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Non-receptor tyrosine-protein kinase TYK2 [556-888]' and Ligand = 'BDBM399728'   

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
Non-receptor tyrosine-protein kinase TYK2 [556-888] (Homo sapiens (Human))	BDBM399728 (US10323036, Compound I-215 | US10793574, Compound ...) Show SMILES Cn1[nH]c2nc(Nc3cccc(n3)C(F)(F)F)cc(Nc3ccc(cc3S(C)(=O)=O)C3CC3)c2c1=O Show InChI InChI=1S/C23H21F3N6O3S/c1-32-22(33)20-15(27-14-9-8-13(12-6-7-12)10-16(14)36(2,34)35)11-19(30-21(20)31-32)29-18-5-3-4-17(28-18)23(24,25)26/h3-5,8-12H,6-7H2,1-2H3,(H3,27,28,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The binding reaction was assembled by combining 16 μl of DNA-tagged kinase extract, 3.8 μl liganded affinity beads, and 0.18 μl test c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27291
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [556-888] (Homo sapiens (Human))	BDBM399728 (US10323036, Compound I-215 | US10793574, Compound ...) Show SMILES Cn1[nH]c2nc(Nc3cccc(n3)C(F)(F)F)cc(Nc3ccc(cc3S(C)(=O)=O)C3CC3)c2c1=O Show InChI InChI=1S/C23H21F3N6O3S/c1-32-22(33)20-15(27-14-9-8-13(12-6-7-12)10-16(14)36(2,34)35)11-19(30-21(20)31-32)29-18-5-3-4-17(28-18)23(24,25)26/h3-5,8-12H,6-7H2,1-2H3,(H3,27,28,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...				US Patent US10793574 (2020) BindingDB Entry DOI: 10.7270/Q2WM1HH6
					More data for this Ligand-Target Pair