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Compile Data Set for Download or QSAR

Found 647 hits with Last Name = 'lai' and Initial = 'mt'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165996
PNG
(CHEMBL3797298)
Show SMILES CC[C@H]1CNC(=O)c2c(SCC3CC3)sc(-c3cc[nH]n3)c12 |r|
Show InChI InChI=1/C16H19N3OS2/c1-2-10-7-17-15(20)13-12(10)14(11-5-6-18-19-11)22-16(13)21-8-9-3-4-9/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,20)(H,18,19)/t10-/s2
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28n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165997
PNG
(CHEMBL3797431)
Show SMILES CCCSc1sc(-c2cc[nH]n2)c2[C@@H](CC)CNC(=O)c12 |r|
Show InChI InChI=1/C15H19N3OS2/c1-3-7-20-15-12-11(9(4-2)8-16-14(12)19)13(21-15)10-5-6-17-18-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,19)(H,17,18)/t9-/s2
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30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165998
PNG
(CHEMBL3800405)
Show SMILES C[C@H]1CNC(=O)c2c(SCC3CC3)sc(-c3cc[nH]n3)c12 |r|
Show InChI InChI=1/C15H17N3OS2/c1-8-6-16-14(19)12-11(8)13(10-4-5-17-18-10)21-15(12)20-7-9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,19)(H,17,18)/t8-/s2
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34n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165999
PNG
(CHEMBL3797869)
Show SMILES CCCSc1sc(-c2cc[nH]n2)c2[C@@H](C)CNC(=O)c12 |r|
Show InChI InChI=1/C14H17N3OS2/c1-3-6-19-14-11-10(8(2)7-15-13(11)18)12(20-14)9-4-5-16-17-9/h4-5,8H,3,6-7H2,1-2H3,(H,15,18)(H,16,17)/t8-/s2
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39n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16702
PNG
((2R)-2-[5-(3-{[(1R)-1-(4-fluorophenyl)ethyl]carbam...)
Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)-c1nnc(o1)[C@](C)([NH3+])Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C28H30FN5O4S/c1-18(20-10-12-23(29)13-11-20)31-25(35)21-14-22(16-24(15-21)34(3)39(4,36)37)26-32-33-27(38-26)28(2,30)17-19-8-6-5-7-9-19/h5-16,18H,17,30H2,1-4H3,(H,31,35)/p+1/t18-,28-/m1/s1
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42.4 -41.7n/an/an/an/an/a4.522



Merck Research Laboratories



Assay Description
The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for ...


Bioorg Med Chem Lett 17: 1117-21 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.003
BindingDB Entry DOI: 10.7270/Q23X84W6
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50166012
PNG
(CHEMBL3800129)
Show SMILES CC[C@H]1CNC(=O)c2c(SC)sc(-c3cc[nH]n3)c12 |r|
Show InChI InChI=1/C13H15N3OS2/c1-3-7-6-14-12(17)10-9(7)11(19-13(10)18-2)8-4-5-15-16-8/h4-5,7H,3,6H2,1-2H3,(H,14,17)(H,15,16)/t7-/s2
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46n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16704
PNG
((2R)-2-(5-{3-[(Z)-2-(2-methylcyclopropyl)ethenyl]-...)
Show SMILES CCCN(c1cc(\C=C/C2CC2C)cc(c1)-c1nnc(o1)[C@](C)([NH3+])Cc1ccccc1)S(C)(=O)=O |r|
Show InChI InChI=1S/C27H34N4O3S/c1-5-13-31(35(4,32)33)24-16-21(11-12-22-14-19(22)2)15-23(17-24)25-29-30-26(34-25)27(3,28)18-20-9-7-6-8-10-20/h6-12,15-17,19,22H,5,13-14,18,28H2,1-4H3/p+1/b12-11-/t19?,22?,27-/m1/s1
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51.9 -41.2n/an/an/an/an/a4.522



Merck Research Laboratories



Assay Description
The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for ...


Bioorg Med Chem Lett 17: 1117-21 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.003
BindingDB Entry DOI: 10.7270/Q23X84W6
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50166070
PNG
(CHEMBL3798994)
Show SMILES CSc1sc(-c2cc[nH]n2)c2C[C@H](NC(=O)c12)c1ccccc1 |r|
Show InChI InChI=1/C17H15N3OS2/c1-22-17-14-11(15(23-17)12-7-8-18-20-12)9-13(19-16(14)21)10-5-3-2-4-6-10/h2-8,13H,9H2,1H3,(H,18,20)(H,19,21)/t13-/s2
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53n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165996
PNG
(CHEMBL3797298)
Show SMILES CC[C@H]1CNC(=O)c2c(SCC3CC3)sc(-c3cc[nH]n3)c12 |r|
Show InChI InChI=1/C16H19N3OS2/c1-2-10-7-17-15(20)13-12(10)14(11-5-6-18-19-11)22-16(13)21-8-9-3-4-9/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,20)(H,18,19)/t10-/s2
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58n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant wild type LRRK2 using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165978
PNG
(CHEMBL3800284)
Show SMILES CSc1sc(-c2cc[nH]n2)c2C[C@@H](NC(=O)c12)c1ccccc1 |r|
Show InChI InChI=1/C17H15N3OS2/c1-22-17-14-11(15(23-17)12-7-8-18-20-12)9-13(19-16(14)21)10-5-3-2-4-6-10/h2-8,13H,9H2,1H3,(H,18,20)(H,19,21)/t13-/s2
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64n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165997
PNG
(CHEMBL3797431)
Show SMILES CCCSc1sc(-c2cc[nH]n2)c2[C@@H](CC)CNC(=O)c12 |r|
Show InChI InChI=1/C15H19N3OS2/c1-3-7-20-15-12-11(9(4-2)8-16-14(12)19)13(21-15)10-5-6-17-18-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,19)(H,17,18)/t9-/s2
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68n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant wild type LRRK2 using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50166012
PNG
(CHEMBL3800129)
Show SMILES CC[C@H]1CNC(=O)c2c(SC)sc(-c3cc[nH]n3)c12 |r|
Show InChI InChI=1/C13H15N3OS2/c1-3-7-6-14-12(17)10-9(7)11(19-13(10)18-2)8-4-5-15-16-8/h4-5,7H,3,6H2,1-2H3,(H,14,17)(H,15,16)/t7-/s2
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82n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant wild type LRRK2 using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165998
PNG
(CHEMBL3800405)
Show SMILES C[C@H]1CNC(=O)c2c(SCC3CC3)sc(-c3cc[nH]n3)c12 |r|
Show InChI InChI=1/C15H17N3OS2/c1-8-6-16-14(19)12-11(8)13(10-4-5-17-18-10)21-15(12)20-7-9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,19)(H,17,18)/t8-/s2
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83n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant wild type LRRK2 using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165999
PNG
(CHEMBL3797869)
Show SMILES CCCSc1sc(-c2cc[nH]n2)c2[C@@H](C)CNC(=O)c12 |r|
Show InChI InChI=1/C14H17N3OS2/c1-3-6-19-14-11-10(8(2)7-15-13(11)18)12(20-14)9-4-5-16-17-9/h4-5,8H,3,6-7H2,1-2H3,(H,15,18)(H,16,17)/t8-/s2
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84n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant wild type LRRK2 using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50166072
PNG
(CHEMBL3800174)
Show SMILES CSc1sc(-c2cc[nH]n2)c2CC(NC(=O)c12)c1ccc(F)cc1
Show InChI InChI=1/C17H14FN3OS2/c1-23-17-14-11(15(24-17)12-6-7-19-21-12)8-13(20-16(14)22)9-2-4-10(18)5-3-9/h2-7,13H,8H2,1H3,(H,19,21)(H,20,22)
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92n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165993
PNG
(CHEMBL3800282)
Show SMILES CC1(C)Cc2c(sc(SC3CCCC3)c2C(=O)C1)-c1cc[nH]n1
Show InChI InChI=1S/C18H22N2OS2/c1-18(2)9-12-15(14(21)10-18)17(22-11-5-3-4-6-11)23-16(12)13-7-8-19-20-13/h7-8,11H,3-6,9-10H2,1-2H3,(H,19,20)
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94n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165986
PNG
(CHEMBL3798511)
Show SMILES CC1(C)Cc2c(sc(NC3CCCC3)c2C(=O)C1)-c1cc[nH]n1
Show InChI InChI=1S/C18H23N3OS/c1-18(2)9-12-15(14(22)10-18)17(20-11-5-3-4-6-11)23-16(12)13-7-8-19-21-13/h7-8,11,20H,3-6,9-10H2,1-2H3,(H,19,21)
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97n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50166070
PNG
(CHEMBL3798994)
Show SMILES CSc1sc(-c2cc[nH]n2)c2C[C@H](NC(=O)c12)c1ccccc1 |r|
Show InChI InChI=1/C17H15N3OS2/c1-22-17-14-11(15(23-17)12-7-8-18-20-12)9-13(19-16(14)21)10-5-3-2-4-6-10/h2-8,13H,9H2,1H3,(H,18,20)(H,19,21)/t13-/s2
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120n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant wild type LRRK2 using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165992
PNG
(CHEMBL3799665)
Show SMILES CC1(C)Cc2c(sc(SCC3CC3)c2C(=O)C1)-c1cc[nH]n1
Show InChI InChI=1S/C17H20N2OS2/c1-17(2)7-11-14(13(20)8-17)16(21-9-10-3-4-10)22-15(11)12-5-6-18-19-12/h5-6,10H,3-4,7-9H2,1-2H3,(H,18,19)
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133n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50110711
PNG
(3-Isopropylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-y...)
Show SMILES CC(C)Sc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12
Show InChI InChI=1S/C16H20N2OS2/c1-9(2)20-15-13-10(7-16(3,4)8-12(13)19)14(21-15)11-5-6-17-18-11/h5-6,9H,7-8H2,1-4H3,(H,17,18)
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137n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50166016
PNG
(CHEMBL3798436)
Show SMILES CSc1sc(-c2cc[nH]n2)c2CC3(CCC3)NC(=O)c12
Show InChI InChI=1S/C14H15N3OS2/c1-19-13-10-8(11(20-13)9-3-6-15-17-9)7-14(4-2-5-14)16-12(10)18/h3,6H,2,4-5,7H2,1H3,(H,15,17)(H,16,18)
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143n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50110713
PNG
(3-Ethylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-yl)-6...)
Show SMILES CCSc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12
Show InChI InChI=1S/C15H18N2OS2/c1-4-19-14-12-9(7-15(2,3)8-11(12)18)13(20-14)10-5-6-16-17-10/h5-6H,4,7-8H2,1-3H3,(H,16,17)
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156n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant wild type LRRK2 using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50166010
PNG
(CHEMBL3797518)
Show SMILES CSc1sc(-c2cc[nH]n2)c2[C@H](Cc3ccccc3)CNC(=O)c12 |r|
Show InChI InChI=1/C18H17N3OS2/c1-23-18-15-14(16(24-18)13-7-8-20-21-13)12(10-19-17(15)22)9-11-5-3-2-4-6-11/h2-8,12H,9-10H2,1H3,(H,19,22)(H,20,21)/t12-/s2
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159n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165987
PNG
(CHEMBL3798232)
Show SMILES O=C1CCCc2c(sc(NC3CCCC3)c12)-c1cc[nH]n1
Show InChI InChI=1S/C16H19N3OS/c20-13-7-3-6-11-14(13)16(18-10-4-1-2-5-10)21-15(11)12-8-9-17-19-12/h8-10,18H,1-7H2,(H,17,19)
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160n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165992
PNG
(CHEMBL3799665)
Show SMILES CC1(C)Cc2c(sc(SCC3CC3)c2C(=O)C1)-c1cc[nH]n1
Show InChI InChI=1S/C17H20N2OS2/c1-17(2)7-11-14(13(20)8-17)16(21-9-10-3-4-10)22-15(11)12-5-6-18-19-12/h5-6,10H,3-4,7-9H2,1-2H3,(H,18,19)
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172n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant wild type LRRK2 using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165978
PNG
(CHEMBL3800284)
Show SMILES CSc1sc(-c2cc[nH]n2)c2C[C@@H](NC(=O)c12)c1ccccc1 |r|
Show InChI InChI=1/C17H15N3OS2/c1-22-17-14-11(15(23-17)12-7-8-18-20-12)9-13(19-16(14)21)10-5-3-2-4-6-10/h2-8,13H,9H2,1H3,(H,18,20)(H,19,21)/t13-/s2
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174n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant wild type LRRK2 using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50110713
PNG
(3-Ethylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-yl)-6...)
Show SMILES CCSc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12
Show InChI InChI=1S/C15H18N2OS2/c1-4-19-14-12-9(7-15(2,3)8-11(12)18)13(20-14)10-5-6-16-17-10/h5-6H,4,7-8H2,1-3H3,(H,16,17)
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177n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50166014
PNG
(CHEMBL3798802)
Show SMILES CSc1sc(-c2cc[nH]n2)c2[C@@H](C)CNC(=O)c12 |r|
Show InChI InChI=1/C12H13N3OS2/c1-6-5-13-11(16)9-8(6)10(18-12(9)17-2)7-3-4-14-15-7/h3-4,6H,5H2,1-2H3,(H,13,16)(H,14,15)/t6-/s2
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186n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165995
PNG
(CHEMBL3799347)
Show SMILES CSc1sc(-c2cc[nH]n2)c2CCCC(=O)c12
Show InChI InChI=1S/C12H12N2OS2/c1-16-12-10-7(3-2-4-9(10)15)11(17-12)8-5-6-13-14-8/h5-6H,2-4H2,1H3,(H,13,14)
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189n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165979
PNG
(CHEMBL3798426)
Show SMILES CSc1sc(-c2cc[nH]n2)c2CC(NC(=O)c12)C(F)(F)F
Show InChI InChI=1/C12H10F3N3OS2/c1-20-11-8-5(9(21-11)6-2-3-16-18-6)4-7(12(13,14)15)17-10(8)19/h2-3,7H,4H2,1H3,(H,16,18)(H,17,19)
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198n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50166015
PNG
(CHEMBL3797394)
Show SMILES CSc1sc(-c2cc[nH]n2)c2CC3(CCCC3)NC(=O)c12
Show InChI InChI=1S/C15H17N3OS2/c1-20-14-11-9(12(21-14)10-4-7-16-18-10)8-15(17-13(11)19)5-2-3-6-15/h4,7H,2-3,5-6,8H2,1H3,(H,16,18)(H,17,19)
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225n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50166016
PNG
(CHEMBL3798436)
Show SMILES CSc1sc(-c2cc[nH]n2)c2CC3(CCC3)NC(=O)c12
Show InChI InChI=1S/C14H15N3OS2/c1-19-13-10-8(11(20-13)9-3-6-15-17-9)7-14(4-2-5-14)16-12(10)18/h3,6H,2,4-5,7H2,1H3,(H,15,17)(H,16,18)
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233n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant wild type LRRK2 using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50110703
PNG
(6,6-Dimethyl-3-methylsulfanyl-1-(1H-pyrazol-3-yl)-...)
Show SMILES CSc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12
Show InChI InChI=1S/C14H16N2OS2/c1-14(2)6-8-11(10(17)7-14)13(18-3)19-12(8)9-4-5-15-16-9/h4-5H,6-7H2,1-3H3,(H,15,16)
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234n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50110709
PNG
(3-(2-Hydroxy-ethylsulfanyl)-6,6-dimethyl-1-(1H-pyr...)
Show SMILES CC1(C)Cc2c(sc(SCCO)c2C(=O)C1)-c1cc[nH]n1
Show InChI InChI=1S/C15H18N2O2S2/c1-15(2)7-9-12(11(19)8-15)14(20-6-5-18)21-13(9)10-3-4-16-17-10/h3-4,18H,5-8H2,1-2H3,(H,16,17)
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240n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50110711
PNG
(3-Isopropylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-y...)
Show SMILES CC(C)Sc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12
Show InChI InChI=1S/C16H20N2OS2/c1-9(2)20-15-13-10(7-16(3,4)8-12(13)19)14(21-15)11-5-6-17-18-11/h5-6,9H,7-8H2,1-4H3,(H,17,18)
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256n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant wild type LRRK2 using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50166072
PNG
(CHEMBL3800174)
Show SMILES CSc1sc(-c2cc[nH]n2)c2CC(NC(=O)c12)c1ccc(F)cc1
Show InChI InChI=1/C17H14FN3OS2/c1-23-17-14-11(15(24-17)12-6-7-19-21-12)8-13(20-16(14)22)9-2-4-10(18)5-3-9/h2-7,13H,8H2,1H3,(H,19,21)(H,20,22)
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271n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant wild type LRRK2 using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50166003
PNG
(CHEMBL3797718)
Show SMILES O=C1NCCc2c(sc(SC3CCCC3)c12)-c1cc[nH]n1
Show InChI InChI=1S/C15H17N3OS2/c19-14-12-10(5-7-16-14)13(11-6-8-17-18-11)21-15(12)20-9-3-1-2-4-9/h6,8-9H,1-5,7H2,(H,16,19)(H,17,18)
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286n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50166075
PNG
(CHEMBL3798038)
Show SMILES CSc1sc(-c2cc[nH]n2)c2CC(NC(=O)c12)C1CCC1
Show InChI InChI=1/C15H17N3OS2/c1-20-15-12-9(13(21-15)10-5-6-16-18-10)7-11(17-14(12)19)8-3-2-4-8/h5-6,8,11H,2-4,7H2,1H3,(H,16,18)(H,17,19)
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293n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165988
PNG
(CHEMBL3800214)
Show SMILES O=C1CCCc2c(sc(SC3CCCC3)c12)-c1cc[nH]n1
Show InChI InChI=1S/C16H18N2OS2/c19-13-7-3-6-11-14(13)16(20-10-4-1-2-5-10)21-15(11)12-8-9-17-18-12/h8-10H,1-7H2,(H,17,18)
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295n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant wild type LRRK2 using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165985
PNG
(CHEMBL3799606)
Show SMILES CC1(C)Cc2c(sc(OC3CCCC3)c2C(=O)C1)-c1cc[nH]n1
Show InChI InChI=1S/C18H22N2O2S/c1-18(2)9-12-15(14(21)10-18)17(22-11-5-3-4-6-11)23-16(12)13-7-8-19-20-13/h7-8,11H,3-6,9-10H2,1-2H3,(H,19,20)
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301n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50166001
PNG
(CHEMBL3797243)
Show SMILES O=C1NCCc2c(sc(SC3CC3)c12)-c1cc[nH]n1
Show InChI InChI=1S/C13H13N3OS2/c17-12-10-8(3-5-14-12)11(9-4-6-15-16-9)19-13(10)18-7-1-2-7/h4,6-7H,1-3,5H2,(H,14,17)(H,15,16)
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305n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165995
PNG
(CHEMBL3799347)
Show SMILES CSc1sc(-c2cc[nH]n2)c2CCCC(=O)c12
Show InChI InChI=1S/C12H12N2OS2/c1-16-12-10-7(3-2-4-9(10)15)11(17-12)8-5-6-13-14-8/h5-6H,2-4H2,1H3,(H,13,14)
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312n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant wild type LRRK2 using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50166014
PNG
(CHEMBL3798802)
Show SMILES CSc1sc(-c2cc[nH]n2)c2[C@@H](C)CNC(=O)c12 |r|
Show InChI InChI=1/C12H13N3OS2/c1-6-5-13-11(16)9-8(6)10(18-12(9)17-2)7-3-4-14-15-7/h3-4,6H,5H2,1-2H3,(H,13,16)(H,14,15)/t6-/s2
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319n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant wild type LRRK2 using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50166074
PNG
(CHEMBL3797308)
Show SMILES COCC1Cc2c(sc(SC)c2C(=O)N1)-c1cc[nH]n1
Show InChI InChI=1/C13H15N3O2S2/c1-18-6-7-5-8-10(12(17)15-7)13(19-2)20-11(8)9-3-4-14-16-9/h3-4,7H,5-6H2,1-2H3,(H,14,16)(H,15,17)
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341n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50166010
PNG
(CHEMBL3797518)
Show SMILES CSc1sc(-c2cc[nH]n2)c2[C@H](Cc3ccccc3)CNC(=O)c12 |r|
Show InChI InChI=1/C18H17N3OS2/c1-23-18-15-14(16(24-18)13-7-8-20-21-13)12(10-19-17(15)22)9-11-5-3-2-4-6-11/h2-8,12H,9-10H2,1H3,(H,19,22)(H,20,21)/t12-/s2
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342n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant wild type LRRK2 using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50166006
PNG
(CHEMBL3799336)
Show SMILES CCSc1sc(-c2cc[nH]n2)c2CCNC(=O)c12
Show InChI InChI=1S/C12H13N3OS2/c1-2-17-12-9-7(3-5-13-11(9)16)10(18-12)8-4-6-14-15-8/h4,6H,2-3,5H2,1H3,(H,13,16)(H,14,15)
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348n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50166005
PNG
(CHEMBL3799978)
Show SMILES CCCSc1sc(-c2cc[nH]n2)c2CCNC(=O)c12
Show InChI InChI=1S/C13H15N3OS2/c1-2-7-18-13-10-8(3-5-14-12(10)17)11(19-13)9-4-6-15-16-9/h4,6H,2-3,5,7H2,1H3,(H,14,17)(H,15,16)
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355n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50166013
PNG
(CHEMBL3799972)
Show SMILES CSc1sc(-c2cc[nH]n2)c2[C@H](C)CNC(=O)c12 |r|
Show InChI InChI=1/C12H13N3OS2/c1-6-5-13-11(16)9-8(6)10(18-12(9)17-2)7-3-4-14-15-7/h3-4,6H,5H2,1-2H3,(H,13,16)(H,14,15)/t6-/s2
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367n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50166002
PNG
(CHEMBL3799457)
Show SMILES O=C1NCCc2c(sc(SC3CCCCC3)c12)-c1cc[nH]n1
Show InChI InChI=1S/C16H19N3OS2/c20-15-13-11(6-8-17-15)14(12-7-9-18-19-12)22-16(13)21-10-4-2-1-3-5-10/h7,9-10H,1-6,8H2,(H,17,20)(H,18,19)
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372n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50110703
PNG
(6,6-Dimethyl-3-methylsulfanyl-1-(1H-pyrazol-3-yl)-...)
Show SMILES CSc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12
Show InChI InChI=1S/C14H16N2OS2/c1-14(2)6-8-11(10(17)7-14)13(18-3)19-12(8)9-4-5-15-16-9/h4-5H,6-7H2,1-3H3,(H,15,16)
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377n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant wild type LRRK2 using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
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