Compile Data Set for Download or QSAR
Found 4 of affinity data for UniProtKB/TrEMBL: Q5S006
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Mus musculus)
Vernalis (R&D) Ltd.

Curated by ChEMBL
LigandPNGBDBM50582730(CHEMBL5087055)
Show SMILES C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cnn([C@@H]4CCOC4)c3C)nc2n1C
Show InChI InChI=1S/C21H27N9O/c1-12-5-4-7-29(12)20-15(9-22)17-18(23)26-21(27-19(17)28(20)3)25-16-10-24-30(13(16)2)14-6-8-31-11-14/h10,12,14H,4-8,11H2,1-3H3,(H3,23,25,26,27)/t12-,14-/m1/s1
Affinity DataIC50: 11nMAssay Description:Inhibition of LRRK2-WT in C57BL/6 mouse brain at 10 to 150 mg/kg and measured after 1 hrs by western blottingMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Mus musculus)
Vernalis (R&D) Ltd.

Curated by ChEMBL
LigandPNGBDBM50582730(CHEMBL5087055)
Show SMILES C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cnn([C@@H]4CCOC4)c3C)nc2n1C
Show InChI InChI=1S/C21H27N9O/c1-12-5-4-7-29(12)20-15(9-22)17-18(23)26-21(27-19(17)28(20)3)25-16-10-24-30(13(16)2)14-6-8-31-11-14/h10,12,14H,4-8,11H2,1-3H3,(H3,23,25,26,27)/t12-,14-/m1/s1
Affinity DataIC50: 16nMAssay Description:Inhibition of LRRK2-WT-pSER935 in C57BL/6 mouse brain at 10 to 150 mg/kg and measured after 1 hrs by western blottingMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Mus musculus)
Vernalis (R&D) Ltd.

Curated by ChEMBL
LigandPNGBDBM50582731(CHEMBL5092087)
Show SMILES C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cnn([C@H]4CCOC4)c3C)nc2n1C
Show InChI InChI=1S/C21H27N9O/c1-12-5-4-7-29(12)20-15(9-22)17-18(23)26-21(27-19(17)28(20)3)25-16-10-24-30(13(16)2)14-6-8-31-11-14/h10,12,14H,4-8,11H2,1-3H3,(H3,23,25,26,27)/t12-,14+/m1/s1
Affinity DataIC50: 22nMAssay Description:Inhibition of LRRK2-WT in C57BL/6 mouse brain at 10 to 150 mg/kg and measured after 1 hrs by western blottingMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Mus musculus)
Vernalis (R&D) Ltd.

Curated by ChEMBL
LigandPNGBDBM50582731(CHEMBL5092087)
Show SMILES C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cnn([C@H]4CCOC4)c3C)nc2n1C
Show InChI InChI=1S/C21H27N9O/c1-12-5-4-7-29(12)20-15(9-22)17-18(23)26-21(27-19(17)28(20)3)25-16-10-24-30(13(16)2)14-6-8-31-11-14/h10,12,14H,4-8,11H2,1-3H3,(H3,23,25,26,27)/t12-,14+/m1/s1
Affinity DataIC50: 23nMAssay Description:Inhibition of LRRK2-WT-pSER935 in C57BL/6 mouse brain at 10 to 150 mg/kg and measured after 1 hrs by western blottingMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid