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 = 'BDBM399640'   

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))	BDBM399640 (US10323036, Compound I-84 | US10793574, Compound I...) Show SMILES COc1c(F)cccc1Nc1cc(Nc2ccc(C)cn2)nc2[nH]n(C)c(=O)c12 Show InChI InChI=1S/C20H19FN6O2/c1-11-7-8-15(22-10-11)24-16-9-14(17-19(25-16)26-27(2)20(17)28)23-13-6-4-5-12(21)18(13)29-3/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	5.5	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))	BDBM399640 (US10323036, Compound I-84 | US10793574, Compound I...) Show SMILES COc1c(F)cccc1Nc1cc(Nc2ccc(C)cn2)nc2[nH]n(C)c(=O)c12 Show InChI InChI=1S/C20H19FN6O2/c1-11-7-8-15(22-10-11)24-16-9-14(17-19(25-16)26-27(2)20(17)28)23-13-6-4-5-12(21)18(13)29-3/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	5.5	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