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 = 'BDBM399771'   

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))	BDBM399771 (US10323036, Compound XVI-2 | US10793574, Compound ...) Show SMILES CNc1nc(-c2cccc(-c3nnn(C)n3)c2OC)n2cc(NC(=O)C3CC3)ncc12 Show InChI InChI=1S/C20H21N9O2/c1-21-18-14-9-22-15(23-20(30)11-7-8-11)10-29(14)19(24-18)13-6-4-5-12(16(13)31-3)17-25-27-28(2)26-17/h4-6,9-11,21H,7-8H2,1-3H3,(H,23,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>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))	BDBM399771 (US10323036, Compound XVI-2 | US10793574, Compound ...) Show SMILES CNc1nc(-c2cccc(-c3nnn(C)n3)c2OC)n2cc(NC(=O)C3CC3)ncc12 Show InChI InChI=1S/C20H21N9O2/c1-21-18-14-9-22-15(23-20(30)11-7-8-11)10-29(14)19(24-18)13-6-4-5-12(16(13)31-3)17-25-27-28(2)26-17/h4-6,9-11,21H,7-8H2,1-3H3,(H,23,30)	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