Compile Data Set for Download or QSAR
Found 714 of ki for UniProtKB: Q5S007
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM254931(US9499542, 14 | US9675594, 14)
Show SMILES Cc1cccc(c1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C19H16N6/c1-12-4-3-5-13(8-12)15-9-17(22-16-6-7-25(2)24-16)23-19-18(15)14(10-20)11-21-19/h3-9,11H,1-2H3,(H2,21,22,23,24)
Affinity DataKi:  0.0600nMAssay Description:Inhibition of wild type recombinant human GST-tagged LRRK2 (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrate af...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM254931(US9499542, 14 | US9675594, 14)
Show SMILES Cc1cccc(c1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C19H16N6/c1-12-4-3-5-13(8-12)15-9-17(22-16-6-7-25(2)24-16)23-19-18(15)14(10-20)11-21-19/h3-9,11H,1-2H3,(H2,21,22,23,24)
Affinity DataKi:  0.100nMAssay Description:Inhibition of wild type recombinant human GST-tagged LRRK2 (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrate af...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM50393038(CHEMBL2152707)
Show SMILES Cn1cc(C=Cc2[nH]nc3ccnc(OC4CCCCC4)c23)cn1
Show InChI InChI=1S/C18H21N5O/c1-23-12-13(11-20-23)7-8-15-17-16(22-21-15)9-10-19-18(17)24-14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,21,22)
Affinity DataKi:  0.300nMAssay Description:Binding affinity to LRRK2More data for this Ligand-Target Pair
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM41571(US8569281, 52)
Show SMILES Cn1cc(\C=C\c2n[nH]c3ccnc(OC4CCCCC4)c23)cn1
Show InChI InChI=1S/C15H21N5O3S/c1-10-8-11(19-23-10)14(21)16-5-4-13-18-12(9-24-13)15(22)17-6-7-20(2)3/h8-9H,4-7H2,1-3H3,(H,16,21)(H,17,22)
Affinity DataKi:  0.300nMAssay Description:This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining Kiapp, IC50 or percent inhibition values.More data for this Ligand-Target Pair
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM196826(US9212186, 23)
Show SMILES CCNc1nc(Nc2cnn3CC(C)(C)OCc23)ncc1C(F)(F)F
Show InChI InChI=1S/C15H19F3N6O/c1-4-19-12-9(15(16,17)18)5-20-13(23-12)22-10-6-21-24-8-14(2,3)25-7-11(10)24/h5-6H,4,7-8H2,1-3H3,(H2,19,20,22,23)
Affinity DataKi:  0.300nMAssay Description:This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In 3...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM182716(US9145402, 23 | US9145402, 36)
Show SMILES CNc1nc(Nc2cc(C)c(cc2OC)S(C)(=O)=O)ncc1C(F)(F)F
Show InChI InChI=1S/C15H17F3N4O3S/c1-8-5-10(11(25-3)6-12(8)26(4,23)24)21-14-20-7-9(15(16,17)18)13(19-2)22-14/h5-7H,1-4H3,(H2,19,20,21,22)
Affinity DataKi:  0.300nMAssay Description:his assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In 38...More data for this Ligand-Target Pair
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM196757(US9212173, 35)
Show SMILES CCNc1nc(Nc2cn(nc2C)C(C)(C)c2ccnn2C)ncc1C(F)(F)F
Show InChI InChI=1S/C18H23F3N8/c1-6-22-15-12(18(19,20)21)9-23-16(26-15)25-13-10-29(27-11(13)2)17(3,4)14-7-8-24-28(14)5/h7-10H,6H2,1-5H3,(H2,22,23,25,26)
Affinity DataKi:  0.300nMAssay Description:This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In 3...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM50507669(CHEMBL4539170)
Show SMILES CCc1cc(nn1C)-c1n[nH]c2ccnc(NC3CCOCC3)c12
Show InChI InChI=1S/C17H22N6O/c1-3-12-10-14(22-23(12)2)16-15-13(20-21-16)4-7-18-17(15)19-11-5-8-24-9-6-11/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,18,19)(H,20,21)
Affinity DataKi:  0.5nMAssay Description:Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant catalytic domain (970 to 2527 residues) expressed in insect cells using RtGWWRFYTLRRAR...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM254929(US9499542, 12 | US9675594, 12)
Show SMILES Cc1cccc(c1)-c1cc(N)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C15H12N4/c1-9-3-2-4-10(5-9)12-6-13(17)19-15-14(12)11(7-16)8-18-15/h2-6,8H,1H3,(H3,17,18,19)
Affinity DataKi:  0.5nMAssay Description:Inhibition of wild type recombinant human GST-tagged LRRK2 (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrate af...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM196754(US9212173, 32)
Show SMILES CCNc1nc(Nc2cn(nc2Cl)C(C)(C)c2ncn(C)n2)ncc1C(F)(F)F
Show InChI InChI=1S/C16H19ClF3N9/c1-5-21-12-9(16(18,19)20)6-22-14(25-12)24-10-7-29(26-11(10)17)15(2,3)13-23-8-28(4)27-13/h6-8H,5H2,1-4H3,(H2,21,22,24,25)
Affinity DataKi:  0.5nMAssay Description:This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In 3...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM196759(US9212173, 37)
Show SMILES CNc1nc(Nc2cn(nc2C)C2CCOC[C@H]2F)ncc1C(F)(F)F
Show InChI InChI=1S/C15H18F4N6O/c1-8-11(6-25(24-8)12-3-4-26-7-10(12)16)22-14-21-5-9(15(17,18)19)13(20-2)23-14/h5-6,10,12H,3-4,7H2,1-2H3,(H2,20,21,22,23)/t10-,12?/m1/s1
Affinity DataKi:  0.600nMAssay Description:This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In 3...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM196752(US9212173, 30)
Show SMILES CCNc1nc(Nc2cn(nc2C)C(C)(C)c2ncn(n2)C(C)C)ncc1C(F)(F)F
Show InChI InChI=1S/C19H26F3N9/c1-7-23-15-13(19(20,21)22)8-24-17(27-15)26-14-9-31(28-12(14)4)18(5,6)16-25-10-30(29-16)11(2)3/h8-11H,7H2,1-6H3,(H2,23,24,26,27)
Affinity DataKi:  0.600nMAssay Description:This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In 3...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM50448118(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)
Show SMILES CNc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1C(F)(F)F
Show InChI InChI=1S/C14H16F3N7/c1-8-10(6-24(23-8)13(2,3)7-18)21-12-20-5-9(14(15,16)17)11(19-4)22-12/h5-6H,1-4H3,(H2,19,20,21,22)
Affinity DataKi:  0.600nMAssay Description:Inhibition of LRRK2 G2019S mutant (unknown origin)More data for this Ligand-Target Pair
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM129179(US8802674, 282)
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)NC2CCN(C)CC2)ncc1C(F)(F)F
Show InChI InChI=1S/C20H25F3N6O2/c1-24-17-14(20(21,22)23)11-25-19(28-17)27-15-5-4-12(10-16(15)31-3)18(30)26-13-6-8-29(2)9-7-13/h4-5,10-11,13H,6-9H2,1-3H3,(H,26,30)(H2,24,25,27,28)
Affinity DataKi:  0.600nMAssay Description:This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...More data for this Ligand-Target Pair
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM196827(US9212186, 24)
Show SMILES CNc1nc(Nc2cnn3CCCc23)ncc1C(F)(F)F
Show InChI InChI=1S/C12H13F3N6/c1-16-10-7(12(13,14)15)5-17-11(20-10)19-8-6-18-21-4-2-3-9(8)21/h5-6H,2-4H2,1H3,(H2,16,17,19,20)
Affinity DataKi:  0.600nMAssay Description:This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In 3...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM129199(US8802674, 306)
Show SMILES CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCC[C@H]2COC)ncc1C(F)(F)F
Show InChI InChI=1S/C21H25F4N5O3/c1-4-26-18-14(21(23,24)25)10-27-20(29-18)28-16-9-15(22)13(8-17(16)33-3)19(31)30-7-5-6-12(30)11-32-2/h8-10,12H,4-7,11H2,1-3H3,(H2,26,27,28,29)/t12-/m0/s1
Affinity DataKi:  0.600nMAssay Description:This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...More data for this Ligand-Target Pair
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM196762(US9212173, 40)
Show SMILES CNc1nc(Nc2cnn(C3CCOC[C@@H]3F)c2C)ncc1C(F)(F)F
Show InChI InChI=1S/C15H18F4N6O/c1-8-11(6-22-25(8)12-3-4-26-7-10(12)16)23-14-21-5-9(15(17,18)19)13(20-2)24-14/h5-6,10,12H,3-4,7H2,1-2H3,(H2,20,21,23,24)/t10-,12?/m0/s1
Affinity DataKi:  0.600nMAssay Description:This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In 3...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM50448127(CHEMBL3122119 | US9212173, 44)
Show SMILES CCNc1nc(Nc2cc(nn2C)C(C)(C)C#N)ncc1C(F)(F)F
Show InChI InChI=1S/C15H18F3N7/c1-5-20-12-9(15(16,17)18)7-21-13(23-12)22-11-6-10(24-25(11)4)14(2,3)8-19/h6-7H,5H2,1-4H3,(H2,20,21,22,23)
Affinity DataKi:  0.700nMAssay Description:Inhibition of LRRK2 (unknown origin)More data for this Ligand-Target Pair
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM50448127(CHEMBL3122119 | US9212173, 44)
Show SMILES CCNc1nc(Nc2cc(nn2C)C(C)(C)C#N)ncc1C(F)(F)F
Show InChI InChI=1S/C15H18F3N7/c1-5-20-12-9(15(16,17)18)7-21-13(23-12)22-11-6-10(24-25(11)4)14(2,3)8-19/h6-7H,5H2,1-4H3,(H2,20,21,22,23)
Affinity DataKi:  0.700nMAssay Description:This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In 3...More data for this Ligand-Target Pair
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM50448118(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)
Show SMILES CNc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1C(F)(F)F
Show InChI InChI=1S/C14H16F3N7/c1-8-10(6-24(23-8)13(2,3)7-18)21-12-20-5-9(14(15,16)17)11(19-4)22-12/h5-6H,1-4H3,(H2,19,20,21,22)
Affinity DataKi:  0.700nMAssay Description:Inhibition of LRRK2 (unknown origin)More data for this Ligand-Target Pair
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM129173(US8802674, 276)
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCC(CC2)N(C)C)ncc1C(F)(F)F
Show InChI InChI=1S/C21H27F3N6O2/c1-25-18-15(21(22,23)24)12-26-20(28-18)27-16-6-5-13(11-17(16)32-4)19(31)30-9-7-14(8-10-30)29(2)3/h5-6,11-12,14H,7-10H2,1-4H3,(H2,25,26,27,28)
Affinity DataKi:  0.800nMAssay Description:This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...More data for this Ligand-Target Pair
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM50448126(CHEMBL3122105 | US9212186, 22)
Show SMILES CNc1nc(Nc2cnn3CC(C)(C)OCc23)ncc1C(F)(F)F
Show InChI InChI=1S/C14H17F3N6O/c1-13(2)7-23-10(6-24-13)9(5-20-23)21-12-19-4-8(14(15,16)17)11(18-3)22-12/h4-5H,6-7H2,1-3H3,(H2,18,19,21,22)
Affinity DataKi:  0.900nMAssay Description:Inhibition of LRRK2 (unknown origin)More data for this Ligand-Target Pair
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM50448126(CHEMBL3122105 | US9212186, 22)
Show SMILES CNc1nc(Nc2cnn3CC(C)(C)OCc23)ncc1C(F)(F)F
Show InChI InChI=1S/C14H17F3N6O/c1-13(2)7-23-10(6-24-13)9(5-20-23)21-12-19-4-8(14(15,16)17)11(18-3)22-12/h4-5H,6-7H2,1-3H3,(H2,18,19,21,22)
Affinity DataKi:  0.900nMAssay Description:This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In 3...More data for this Ligand-Target Pair
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM196742(US9212173, 20)
Show SMILES CCNc1nc(Nc2cn(nc2C)S(=O)(=O)CCOC)ncc1C(F)(F)F
Show InChI InChI=1S/C14H19F3N6O3S/c1-4-18-12-10(14(15,16)17)7-19-13(21-12)20-11-8-23(22-9(11)2)27(24,25)6-5-26-3/h7-8H,4-6H2,1-3H3,(H2,18,19,20,21)
Affinity DataKi:  0.960nMAssay Description:This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In 3...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM196741(US9212173, 19)
Show SMILES CCNc1nc(Nc2cn(nc2C)C2(C)COC2)ncc1C(F)(F)F
Show InChI InChI=1S/C15H19F3N6O/c1-4-19-12-10(15(16,17)18)5-20-13(22-12)21-11-6-24(23-9(11)2)14(3)7-25-8-14/h5-6H,4,7-8H2,1-3H3,(H2,19,20,21,22)
Affinity DataKi:  0.975nMAssay Description:This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In 3...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM50448117(CHEMBL3122114)
Show SMILES CNc1nc(Nc2cnn(c2C)C(C)(C)C#N)ncc1C(F)(F)F
Show InChI InChI=1S/C14H16F3N7/c1-8-10(6-21-24(8)13(2,3)7-18)22-12-20-5-9(14(15,16)17)11(19-4)23-12/h5-6H,1-4H3,(H2,19,20,22,23)
Affinity DataKi:  1nMAssay Description:Inhibition of LRRK2 (unknown origin)More data for this Ligand-Target Pair
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM50398662(CHEMBL2178140)
Show SMILES CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)NCC(C)(C)O)ncc1C(F)(F)F
Show InChI InChI=1S/C19H23F4N5O3/c1-5-24-15-11(19(21,22)23)8-25-17(28-15)27-13-7-12(20)10(6-14(13)31-4)16(29)26-9-18(2,3)30/h6-8,30H,5,9H2,1-4H3,(H,26,29)(H2,24,25,27,28)
Affinity DataKi:  1nMAssay Description:Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assayMore data for this Ligand-Target Pair
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM128254(US8796296, 9)
Show SMILES CNc1nc(Nc2cc3CN(C)C(=O)c3cc2Cl)ncc1C(F)(F)F
Show InChI InChI=1S/C15H13ClF3N5O/c1-20-12-9(15(17,18)19)5-21-14(23-12)22-11-3-7-6-24(2)13(25)8(7)4-10(11)16/h3-5H,6H2,1-2H3,(H2,20,21,22,23)
Affinity DataKi:  1nMAssay Description:his assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In 38...More data for this Ligand-Target Pair
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM128248(US8796296, 3)
Show SMILES CNc1nc(Nc2cc3oc(cc3cc2OC)C(=O)N(C)C)ncc1C(F)(F)F
Show InChI InChI=1S/C18H18F3N5O3/c1-22-15-10(18(19,20)21)8-23-17(25-15)24-11-7-12-9(5-13(11)28-4)6-14(29-12)16(27)26(2)3/h5-8H,1-4H3,(H2,22,23,24,25)
Affinity DataKi:  1nMAssay Description:his assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In 38...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM128247(US8796296, 2)
Show SMILES CNc1nc(Nc2cc3OC(C)(C)C(=O)N(C)c3cc2OC)ncc1Cl
Show InChI InChI=1S/C17H20ClN5O3/c1-17(2)15(24)23(4)11-7-12(25-5)10(6-13(11)26-17)21-16-20-8-9(18)14(19-3)22-16/h6-8H,1-5H3,(H2,19,20,21,22)
Affinity DataKi:  1nMAssay Description:his assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In 38...More data for this Ligand-Target Pair
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM127916(US8791130, 46)
Show SMILES CNc1nc(Nc2cc(C)c(cc2OC)-n2nnnc2COC)ncc1C(F)(F)F
Show InChI InChI=1S/C17H19F3N8O2/c1-9-5-11(23-16-22-7-10(17(18,19)20)15(21-2)24-16)13(30-4)6-12(9)28-14(8-29-3)25-26-27-28/h5-7H,8H2,1-4H3,(H2,21,22,23,24)
Affinity DataKi:  1nMAssay Description:This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...More data for this Ligand-Target Pair
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM127915(US8791130, 45)
Show SMILES CNc1nc(Nc2cc(C)c(cc2OC)-n2nnnc2C)ncc1C(F)(F)F
Show InChI InChI=1S/C16H17F3N8O/c1-8-5-11(13(28-4)6-12(8)27-9(2)24-25-26-27)22-15-21-7-10(16(17,18)19)14(20-3)23-15/h5-7H,1-4H3,(H2,20,21,22,23)
Affinity DataKi:  1nMAssay Description:This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...More data for this Ligand-Target Pair
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM127911(US8791130, 41)
Show SMILES CNc1nc(Nc2cc(F)c(cc2OC)-c2cnn(C)c2C(=O)N(C)C)ncc1C(F)(F)F
Show InChI InChI=1S/C20H21F4N7O2/c1-25-17-12(20(22,23)24)9-26-19(29-17)28-14-7-13(21)10(6-15(14)33-5)11-8-27-31(4)16(11)18(32)30(2)3/h6-9H,1-5H3,(H2,25,26,28,29)
Affinity DataKi:  1nMAssay Description:This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM127896(US8791130, 26)
Show SMILES CNc1nc(Nc2ccc(cc2OC)-c2c(C)noc2C)ncc1C(F)(F)F
Show InChI InChI=1S/C18H18F3N5O2/c1-9-15(10(2)28-26-9)11-5-6-13(14(7-11)27-4)24-17-23-8-12(18(19,20)21)16(22-3)25-17/h5-8H,1-4H3,(H2,22,23,24,25)
Affinity DataKi:  1nMAssay Description:This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM127895(US8791130, 25)
Show SMILES CNc1nc(Nc2ccc(cc2OC)-c2ccnn2C)ncc1C(F)(F)F
Show InChI InChI=1S/C17H17F3N6O/c1-21-15-11(17(18,19)20)9-22-16(25-15)24-12-5-4-10(8-14(12)27-3)13-6-7-23-26(13)2/h4-9H,1-3H3,(H2,21,22,24,25)
Affinity DataKi:  1nMAssay Description:This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...More data for this Ligand-Target Pair
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM182713(US9145402, 20)
Show SMILES CNc1nc(Nc2cc(Cl)c(cc2OC)S(C)(=O)=O)ncc1C(F)(F)F
Show InChI InChI=1S/C14H14ClF3N4O3S/c1-19-12-7(14(16,17)18)6-20-13(22-12)21-9-4-8(15)11(26(3,23)24)5-10(9)25-2/h4-6H,1-3H3,(H2,19,20,21,22)
Affinity DataKi:  1nMAssay Description:his assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In 38...More data for this Ligand-Target Pair
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM128276(US8796296, 32)
Show SMILES CCN1CCN(CC1)C(=O)c1cn(C)c2cc(Nc3ncc(c(NC)n3)C(F)(F)F)c(Cl)cc12
Show InChI InChI=1S/C22H25ClF3N7O/c1-4-32-5-7-33(8-6-32)20(34)14-12-31(3)18-10-17(16(23)9-13(14)18)29-21-28-11-15(22(24,25)26)19(27-2)30-21/h9-12H,4-8H2,1-3H3,(H2,27,28,29,30)
Affinity DataKi:  1nMAssay Description:his assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In 38...More data for this Ligand-Target Pair
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM128275(US8796296, 31)
Show SMILES CNc1nc(Nc2cc3n(C)cc(C(=O)N4CCN(C)CC4)c3cc2Cl)ncc1C(F)(F)F
Show InChI InChI=1S/C21H23ClF3N7O/c1-26-18-14(21(23,24)25)10-27-20(29-18)28-16-9-17-12(8-15(16)22)13(11-31(17)3)19(33)32-6-4-30(2)5-7-32/h8-11H,4-7H2,1-3H3,(H2,26,27,28,29)
Affinity DataKi:  1nMAssay Description:his assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In 38...More data for this Ligand-Target Pair
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM128274(US8796296, 30)
Show SMILES CNc1nc(Nc2cc3n(C)cc(C(=O)N4CCOCC4)c3cc2OC)ncc1C(F)(F)F
Show InChI InChI=1S/C21H23F3N6O3/c1-25-18-14(21(22,23)24)10-26-20(28-18)27-15-9-16-12(8-17(15)32-3)13(11-29(16)2)19(31)30-4-6-33-7-5-30/h8-11H,4-7H2,1-3H3,(H2,25,26,27,28)
Affinity DataKi:  1nMAssay Description:his assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In 38...More data for this Ligand-Target Pair
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM128273(US8796296, 29)
Show SMILES CCNc1nc(Nc2cc3n(C)cc(C(=O)N4CCOCC4)c3cc2Cl)ncc1C(F)(F)F
Show InChI InChI=1S/C21H22ClF3N6O2/c1-3-26-18-14(21(23,24)25)10-27-20(29-18)28-16-9-17-12(8-15(16)22)13(11-30(17)2)19(32)31-4-6-33-7-5-31/h8-11H,3-7H2,1-2H3,(H2,26,27,28,29)
Affinity DataKi:  1nMAssay Description:his assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In 38...More data for this Ligand-Target Pair
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM128256(US8796296, 11)
Show SMILES CNc1nc(Nc2ccc3C(=O)N(C)Cc3c2OC)ncc1C(F)(F)F
Show InChI InChI=1S/C16H16F3N5O2/c1-20-13-10(16(17,18)19)6-21-15(23-13)22-11-5-4-8-9(12(11)26-3)7-24(2)14(8)25/h4-6H,7H2,1-3H3,(H2,20,21,22,23)
Affinity DataKi:  1nMAssay Description:his assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In 38...More data for this Ligand-Target Pair
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM50396150(CHEMBL2171743)
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Br
Show InChI InChI=1S/C17H20BrN5O3/c1-19-15-12(18)10-20-17(22-15)21-13-4-3-11(9-14(13)25-2)16(24)23-5-7-26-8-6-23/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22)
Affinity DataKi:  1nMAssay Description:Inhibition of LRRK2More data for this Ligand-Target Pair
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM50396148(CHEMBL2171745 | US8802674, 50)
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C18H20F3N5O3/c1-22-15-12(18(19,20)21)10-23-17(25-15)24-13-4-3-11(9-14(13)28-2)16(27)26-5-7-29-8-6-26/h3-4,9-10H,5-8H2,1-2H3,(H2,22,23,24,25)
Affinity DataKi:  1nMAssay Description:Inhibition of LRRK2More data for this Ligand-Target Pair
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM50398668(CHEMBL2178134 | US8802674, 256)
Show SMILES CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C19H21F4N5O3/c1-3-24-16-12(19(21,22)23)10-25-18(27-16)26-14-9-13(20)11(8-15(14)30-2)17(29)28-4-6-31-7-5-28/h8-10H,3-7H2,1-2H3,(H2,24,25,26,27)
Affinity DataKi:  1nMAssay Description:Inhibition of LRRK2 G2019S mutant (unknown origin)More data for this Ligand-Target Pair
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM50398676(CHEMBL2178125)
Show SMILES CNc1nc(Nc2cc(OC)c(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C19H22F3N5O4/c1-23-16-12(19(20,21)22)10-24-18(26-16)25-13-9-14(29-2)11(8-15(13)30-3)17(28)27-4-6-31-7-5-27/h8-10H,4-7H2,1-3H3,(H2,23,24,25,26)
Affinity DataKi:  1nMAssay Description:Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assayMore data for this Ligand-Target Pair
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM50398667(CHEMBL2178135)
Show SMILES COc1cc(C(=O)N2CCOCC2)c(F)cc1Nc1ncc(c(NC2CC2)n1)C(F)(F)F
Show InChI InChI=1S/C20H21F4N5O3/c1-31-16-8-12(18(30)29-4-6-32-7-5-29)14(21)9-15(16)27-19-25-10-13(20(22,23)24)17(28-19)26-11-2-3-11/h8-11H,2-7H2,1H3,(H2,25,26,27,28)
Affinity DataKi:  1nMAssay Description:Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assayMore data for this Ligand-Target Pair
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM50398668(CHEMBL2178134 | US8802674, 256)
Show SMILES CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C19H21F4N5O3/c1-3-24-16-12(19(21,22)23)10-25-18(27-16)26-14-9-13(20)11(8-15(14)30-2)17(29)28-4-6-31-7-5-28/h8-10H,3-7H2,1-2H3,(H2,24,25,26,27)
Affinity DataKi:  1nMAssay Description:Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assayMore data for this Ligand-Target Pair
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM196736(US9212173, 14)
Show SMILES CCNc1nc(Nc2cn(nc2Cl)C(C)(C)c2ncn(CC)n2)ncc1C(F)(F)F
Show InChI InChI=1S/C17H21ClF3N9/c1-5-22-13-10(17(19,20)21)7-23-15(26-13)25-11-8-30(27-12(11)18)16(3,4)14-24-9-29(6-2)28-14/h7-9H,5-6H2,1-4H3,(H2,22,23,25,26)
Affinity DataKi:  1.10nMAssay Description:This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In 3...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM129180(US8802674, 283)
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)NC2CCC(F)(F)CC2)ncc1C(F)(F)F
Show InChI InChI=1S/C20H22F5N5O2/c1-26-16-13(20(23,24)25)10-27-18(30-16)29-14-4-3-11(9-15(14)32-2)17(31)28-12-5-7-19(21,22)8-6-12/h3-4,9-10,12H,5-8H2,1-2H3,(H,28,31)(H2,26,27,29,30)
Affinity DataKi:  1.10nMAssay Description:This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...More data for this Ligand-Target Pair
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

Curated by ChEMBL
LigandPNGBDBM196745(US9212173, 23)
Show SMILES CCNc1nc(Nc2cnn(c2Cl)C(C)(C)c2nncn2C)ncc1C(F)(F)F
Show InChI InChI=1S/C16H19ClF3N9/c1-5-21-12-9(16(18,19)20)6-22-14(26-12)25-10-7-24-29(11(10)17)15(2,3)13-27-23-8-28(13)4/h6-8H,5H2,1-4H3,(H2,21,22,25,26)
Affinity DataKi:  1.10nMAssay Description:This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In 3...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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