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 = 'BDBM399620'   

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))	BDBM399620 (US10323036, Compound I-64 | US10793574, Compound I...) Show SMILES COc1c(Nc2cc(Nc3cncc(n3)C#N)nc3[nH]n(C)c(=O)c23)cccc1-c1nnn(C)n1 Show InChI InChI=1S/C21H18N12O2/c1-32-21(34)17-14(7-15(27-20(17)29-32)26-16-10-23-9-11(8-22)24-16)25-13-6-4-5-12(18(13)35-3)19-28-31-33(2)30-19/h4-7,9-10H,1-3H3,(H3,24,25,26,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<0.100	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))	BDBM399620 (US10323036, Compound I-64 | US10793574, Compound I...) Show SMILES COc1c(Nc2cc(Nc3cncc(n3)C#N)nc3[nH]n(C)c(=O)c23)cccc1-c1nnn(C)n1 Show InChI InChI=1S/C21H18N12O2/c1-32-21(34)17-14(7-15(27-20(17)29-32)26-16-10-23-9-11(8-22)24-16)25-13-6-4-5-12(18(13)35-3)19-28-31-33(2)30-19/h4-7,9-10H,1-3H3,(H3,24,25,26,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<0.100	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