Compile Data Set for Download or QSAR
Found 3 Enz. Inhib. hit(s) with Target = 'Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1/Tyrosine-protein kinase JAK2' and Ligand = 'BDBM305821'
LigandPNGBDBM305821((1r,3r)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N
Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20-
Affinity DataIC50: 201nMAssay Description:Inhibition of TYK2/JAK1/JAK2 signaling pathway in human lymphocytes of whole blood assessed as reduction in IL-27 induced STAT3 phosphorylation prein...More data for this Ligand-Target Pair
LigandPNGBDBM305821((1r,3r)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N
Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20-
Affinity DataIC50: 566nMAssay Description:Inhibition of TYK2/JAK1/JAK2 signaling pathway in human whole blood spiked with CD3 +ve cells assessed as reduction in IL-6 induced STAT1 phosphoryla...More data for this Ligand-Target Pair
LigandPNGBDBM305821((1r,3r)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N
Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20-
Affinity DataIC50: 4.37E+3nMAssay Description:Inhibition of TYK2/JAK1/JAK2 signaling pathway in human whole blood spiked with CD3 +ve cells assessed as reduction in IL-6 induced STAT3 phosphoryla...More data for this Ligand-Target Pair