Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM50234898'
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50234898(CHEMBL4068357)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)N1CCCC1
Show InChI InChI=1S/C18H26N6O/c1-13-6-10-24(18(25)23-8-3-4-9-23)11-15(13)22(2)17-14-5-7-19-16(14)20-12-21-17/h5,7,12-13,15H,3-4,6,8-11H2,1-2H3,(H,19,20,21)/t13-,15+/m1/s1
Affinity DataIC50: 7.5nMAssay Description:Inhibition of human JAK1 using 5FAM-KKSRGDYMTMQID as substrate by caliper microfluidic mobility shift assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50234898(CHEMBL4068357)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)N1CCCC1
Show InChI InChI=1S/C18H26N6O/c1-13-6-10-24(18(25)23-8-3-4-9-23)11-15(13)22(2)17-14-5-7-19-16(14)20-12-21-17/h5,7,12-13,15H,3-4,6,8-11H2,1-2H3,(H,19,20,21)/t13-,15+/m1/s1
Affinity DataIC50: 38nMAssay Description:Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair