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Found 8 Enz. Inhib. hit(s) for PDB: 1SM2
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM2579((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Affinity DataKi:  2.20nM ΔG°:  -49.4kJ/molepH: 8.0 T: 2°CAssay Description:Assays were performed for the Itk enzyme containing residues 357-620, and an Itk enzyme containing the catalytic kinase domain and the TH and SH2 dom...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM2579((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Affinity DataKi: <10nM ΔG°: <-45.7kJ/molepH: 8.0 T: 2°CAssay Description:Assays were performed for the Itk enzyme containing residues 357-620, and an Itk enzyme containing the catalytic kinase domain and the TH and SH2 dom...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM2579((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Affinity DataIC50:  4.02nMAssay Description:1H-pyrrolo[2,3-b]pyridine series of compounds and analogues in Table 3B were synthesized and tested in 10-dose IC50 mode with 3 fold serial dilutions...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM2579((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Affinity DataIC50:  12.0nMAssay Description:1H-pyrrolo[2,3-b]pyridine, 1H-pyrazolo[3,4-b]pyridine and 5H-pyrrolo[2,3-b]pyrazine series of compounds exhibited over >100 fold selective against Ja...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM2579((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Affinity DataIC50:  12.8nMAssay Description:1H-pyrrolo[2,3-b]pyridine, 1H-pyrazolo[3,4-b]pyridine and 5H-pyrrolo[2,3-b]pyrazine series of compounds exhibited over >100 fold selective against Ja...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM2579((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Affinity DataIC50:  1.60E+4nMAssay Description:Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortexMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM2579((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Affinity DataKd:  19nMAssay Description:Binding constant for ITK kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM2579((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Affinity DataKd:  19nMAssay Description:Binding constant for ITK kinase domainMore data for this Ligand-Target Pair