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 = 'BDBM399663'   

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))	BDBM399663 (US10323036, Compound I-107 | US10793574, Compound ...) Show SMILES Cc1cc(Nc2cc(Nc3ccccc3S(C)(=O)=O)c3c(n2)[nH]n(C)c3=O)ncc1F Show InChI InChI=1S/C20H19FN6O3S/c1-11-8-16(22-10-12(11)21)24-17-9-14(18-19(25-17)26-27(2)20(18)28)23-13-6-4-5-7-15(13)31(3,29)30/h4-10H,1-3H3,(H3,22,23,24,25,26)	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))	BDBM399663 (US10323036, Compound I-107 | US10793574, Compound ...) Show SMILES Cc1cc(Nc2cc(Nc3ccccc3S(C)(=O)=O)c3c(n2)[nH]n(C)c3=O)ncc1F Show InChI InChI=1S/C20H19FN6O3S/c1-11-8-16(22-10-12(11)21)24-17-9-14(18-19(25-17)26-27(2)20(18)28)23-13-6-4-5-7-15(13)31(3,29)30/h4-10H,1-3H3,(H3,22,23,24,25,26)	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