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 = 'BDBM399666'   

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))	BDBM399666 (US10323036, Compound I-110 | US10793574, Compound ...) Show SMILES COCc1ccnc(Nc2cc(Nc3ccccc3S(C)(=O)=O)c3c(n2)[nH]n(C)c3=O)c1 Show InChI InChI=1S/C21H22N6O4S/c1-27-21(28)19-15(23-14-6-4-5-7-16(14)32(3,29)30)11-18(25-20(19)26-27)24-17-10-13(12-31-2)8-9-22-17/h4-11H,12H2,1-3H3,(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))	BDBM399666 (US10323036, Compound I-110 | US10793574, Compound ...) Show SMILES COCc1ccnc(Nc2cc(Nc3ccccc3S(C)(=O)=O)c3c(n2)[nH]n(C)c3=O)c1 Show InChI InChI=1S/C21H22N6O4S/c1-27-21(28)19-15(23-14-6-4-5-7-16(14)32(3,29)30)11-18(25-20(19)26-27)24-17-10-13(12-31-2)8-9-22-17/h4-11H,12H2,1-3H3,(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