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 = 'BDBM399658'   

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))	BDBM399658 (US10323036, Compound I-102 | US10793574, Compound ...) Show SMILES COc1c(Nc2cc(NC(=O)C3CC3)nc3[nH]n(C)c(=O)c23)cccc1C(N)=O Show InChI InChI=1S/C19H20N6O4/c1-25-19(28)14-12(21-11-5-3-4-10(16(20)26)15(11)29-2)8-13(22-17(14)24-25)23-18(27)9-6-7-9/h3-5,8-9H,6-7H2,1-2H3,(H2,20,26)(H3,21,22,23,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>10	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))	BDBM399658 (US10323036, Compound I-102 | US10793574, Compound ...) Show SMILES COc1c(Nc2cc(NC(=O)C3CC3)nc3[nH]n(C)c(=O)c23)cccc1C(N)=O Show InChI InChI=1S/C19H20N6O4/c1-25-19(28)14-12(21-11-5-3-4-10(16(20)26)15(11)29-2)8-13(22-17(14)24-25)23-18(27)9-6-7-9/h3-5,8-9H,6-7H2,1-2H3,(H2,20,26)(H3,21,22,23,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>10	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