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PubMed code 28802631

Compile data set for download or QSAR
Found 34 hits of Enzyme Inhibition Constant Data   
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


(Homo sapiens (Human))		BDBM50398668
PNG
(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)
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n/an/a 97n/an/an/an/an/an/a



H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human wild type GST-tagged LRRK2 (970 to 2527 residues) preincubated for 30 mins followed by fluorescein-LRRKtide substrate...

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM50398668
PNG
(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)
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n/an/a 97n/an/an/an/an/an/a



H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human wild type GST-tagged LRRK2 (970 to 2527 residues) preincubated for 30 mins followed by fluorescein-LRRKtide substrate...

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM223552
PNG
(US9321748, 12)
Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C21H26N6O/c1-15(2)27-14-20(24-25-27)19-11-18(12-23-21(19)22)17-5-3-16(4-6-17)13-26-7-9-28-10-8-26/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H2,22,23)
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n/an/a 160n/an/an/an/an/an/a



H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LRRK2 (970 to 2527 residues) G2019S mutant expressed in baculovirus preincubated for 30 mins followed by fluorescein-...

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM223552
PNG
(US9321748, 12)
Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C21H26N6O/c1-15(2)27-14-20(24-25-27)19-11-18(12-23-21(19)22)17-5-3-16(4-6-17)13-26-7-9-28-10-8-26/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H2,22,23)
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H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human wild type GST-tagged LRRK2 (970 to 2527 residues) preincubated for 30 mins followed by fluorescein-LRRKtide substrate...

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM223554
PNG
(US9321748, 14)
Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(CCN2CCOCC2)cc1
Show InChI InChI=1S/C22H28N6O/c1-16(2)28-15-21(25-26-28)20-13-19(14-24-22(20)23)18-5-3-17(4-6-18)7-8-27-9-11-29-12-10-27/h3-6,13-16H,7-12H2,1-2H3,(H2,23,24)
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H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LRRK2 (970 to 2527 residues) G2019S mutant expressed in baculovirus preincubated for 30 mins followed by fluorescein-...

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM223553
PNG
(US9321748, 13)
Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C20H24N6O/c1-14(2)26-13-19(23-24-26)18-11-16(12-22-20(18)21)15-3-5-17(6-4-15)25-7-9-27-10-8-25/h3-6,11-14H,7-10H2,1-2H3,(H2,21,22)
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H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human wild type GST-tagged LRRK2 (970 to 2527 residues) preincubated for 30 mins followed by fluorescein-LRRKtide substrate...

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM223553
PNG
(US9321748, 13)
Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C20H24N6O/c1-14(2)26-13-19(23-24-26)18-11-16(12-22-20(18)21)15-3-5-17(6-4-15)25-7-9-27-10-8-25/h3-6,11-14H,7-10H2,1-2H3,(H2,21,22)
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H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human wild type GST-tagged LRRK2 (970 to 2527 residues) preincubated for 30 mins followed by fluorescein-LRRKtide substrate...

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM223546
PNG
(US9321748, 6)
Show SMILES Nc1ncc(cc1-c1nnc(o1)C1CC1)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C21H23N5O2/c22-19-18(21-25-24-20(28-21)16-5-6-16)11-17(12-23-19)15-3-1-14(2-4-15)13-26-7-9-27-10-8-26/h1-4,11-12,16H,5-10,13H2,(H2,22,23)
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n/an/a 490n/an/an/an/an/an/a



H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human wild type GST-tagged LRRK2 (970 to 2527 residues) preincubated for 30 mins followed by fluorescein-LRRKtide substrate...

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM223546
PNG
(US9321748, 6)
Show SMILES Nc1ncc(cc1-c1nnc(o1)C1CC1)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C21H23N5O2/c22-19-18(21-25-24-20(28-21)16-5-6-16)11-17(12-23-19)15-3-1-14(2-4-15)13-26-7-9-27-10-8-26/h1-4,11-12,16H,5-10,13H2,(H2,22,23)
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n/an/a 490n/an/an/an/an/an/a



H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human wild type GST-tagged LRRK2 (970 to 2527 residues) preincubated for 30 mins followed by fluorescein-LRRKtide substrate...

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM223549
PNG
(US9321748, 9)
Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc2n(C)ccc2c1
Show InChI InChI=1S/C19H20N6/c1-12(2)25-11-17(22-23-25)16-9-15(10-21-19(16)20)13-4-5-18-14(8-13)6-7-24(18)3/h4-12H,1-3H3,(H2,20,21)
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n/an/a 540n/an/an/an/an/an/a



H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LRRK2 (970 to 2527 residues) G2019S mutant expressed in baculovirus preincubated for 30 mins followed by fluorescein-...

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM223549
PNG
(US9321748, 9)
Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc2n(C)ccc2c1
Show InChI InChI=1S/C19H20N6/c1-12(2)25-11-17(22-23-25)16-9-15(10-21-19(16)20)13-4-5-18-14(8-13)6-7-24(18)3/h4-12H,1-3H3,(H2,20,21)
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n/an/a 550n/an/an/an/an/an/a



H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human wild type GST-tagged LRRK2 (970 to 2527 residues) preincubated for 30 mins followed by fluorescein-LRRKtide substrate...

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM223554
PNG
(US9321748, 14)
Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(CCN2CCOCC2)cc1
Show InChI InChI=1S/C22H28N6O/c1-16(2)28-15-21(25-26-28)20-13-19(14-24-22(20)23)18-5-3-17(4-6-18)7-8-27-9-11-29-12-10-27/h3-6,13-16H,7-12H2,1-2H3,(H2,23,24)
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n/an/a 600n/an/an/an/an/an/a



H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human wild type GST-tagged LRRK2 (970 to 2527 residues) preincubated for 30 mins followed by fluorescein-LRRKtide substrate...

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM223541
PNG
(US9321748, 1)
Show SMILES CC(C)c1nnc(o1)-c1cc(cnc1N)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C18H17N5O/c1-10(2)17-22-23-18(24-17)14-8-13(9-21-16(14)19)11-3-4-15-12(7-11)5-6-20-15/h3-10,20H,1-2H3,(H2,19,21)
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n/an/a 910n/an/an/an/an/an/a



H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LRRK2 (970 to 2527 residues) G2019S mutant expressed in baculovirus preincubated for 30 mins followed by fluorescein-...

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM223552
PNG
(US9321748, 12)
Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C21H26N6O/c1-15(2)27-14-20(24-25-27)19-11-18(12-23-21(19)22)17-5-3-16(4-6-17)13-26-7-9-28-10-8-26/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H2,22,23)
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n/an/a 920n/an/an/an/an/an/a



H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition LRRK2 G2019S mutant (unknown origin) Ser935 phosphorylation in HEK293 cells

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM223543
PNG
(US9321748, 3)
Show SMILES CN1CCc2cc(ccc12)-c1cnc(N)c(c1)-c1nnc(o1)C1CC1
Show InChI InChI=1S/C19H19N5O/c1-24-7-6-13-8-12(4-5-16(13)24)14-9-15(17(20)21-10-14)19-23-22-18(25-19)11-2-3-11/h4-5,8-11H,2-3,6-7H2,1H3,(H2,20,21)
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n/an/a 970n/an/an/an/an/an/a



H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human wild type GST-tagged LRRK2 (970 to 2527 residues) preincubated for 30 mins followed by fluorescein-LRRKtide substrate...

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM223543
PNG
(US9321748, 3)
Show SMILES CN1CCc2cc(ccc12)-c1cnc(N)c(c1)-c1nnc(o1)C1CC1
Show InChI InChI=1S/C19H19N5O/c1-24-7-6-13-8-12(4-5-16(13)24)14-9-15(17(20)21-10-14)19-23-22-18(25-19)11-2-3-11/h4-5,8-11H,2-3,6-7H2,1H3,(H2,20,21)
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n/an/a 970n/an/an/an/an/an/a



H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human wild type GST-tagged LRRK2 (970 to 2527 residues) preincubated for 30 mins followed by fluorescein-LRRKtide substrate...

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM223542
PNG
(US9321748, 2)
Show SMILES Nc1ncc(cc1-c1nnc(o1)C1CC1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C18H15N5O/c19-16-14(18-23-22-17(24-18)10-1-2-10)8-13(9-21-16)11-3-4-15-12(7-11)5-6-20-15/h3-10,20H,1-2H2,(H2,19,21)
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n/an/a 1.30E+3n/an/an/an/an/an/a



H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human wild type GST-tagged LRRK2 (970 to 2527 residues) preincubated for 30 mins followed by fluorescein-LRRKtide substrate...

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM223542
PNG
(US9321748, 2)
Show SMILES Nc1ncc(cc1-c1nnc(o1)C1CC1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C18H15N5O/c19-16-14(18-23-22-17(24-18)10-1-2-10)8-13(9-21-16)11-3-4-15-12(7-11)5-6-20-15/h3-10,20H,1-2H2,(H2,19,21)
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n/an/a 1.30E+3n/an/an/an/an/an/a



H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human wild type GST-tagged LRRK2 (970 to 2527 residues) preincubated for 30 mins followed by fluorescein-LRRKtide substrate...

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM223552
PNG
(US9321748, 12)
Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C21H26N6O/c1-15(2)27-14-20(24-25-27)19-11-18(12-23-21(19)22)17-5-3-16(4-6-17)13-26-7-9-28-10-8-26/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H2,22,23)
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n/an/a 2.10E+3n/an/an/an/an/an/a



H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition wild type LRRK2 (unknown origin) Ser935 phosphorylation in HEK293 cells

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM50260922
PNG
(CHEMBL4060747)
Show SMILES Cc1ccc(cc1)-c1cnc(N)c(c1)-c1nnc(o1)C1CC1
Show InChI InChI=1S/C17H16N4O/c1-10-2-4-11(5-3-10)13-8-14(15(18)19-9-13)17-21-20-16(22-17)12-6-7-12/h2-5,8-9,12H,6-7H2,1H3,(H2,18,19)
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n/an/a 2.20E+3n/an/an/an/an/an/a



H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LRRK2 (970 to 2527 residues) G2019S mutant expressed in baculovirus preincubated for 30 mins followed by fluorescein-...

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM50260922
PNG
(CHEMBL4060747)
Show SMILES Cc1ccc(cc1)-c1cnc(N)c(c1)-c1nnc(o1)C1CC1
Show InChI InChI=1S/C17H16N4O/c1-10-2-4-11(5-3-10)13-8-14(15(18)19-9-13)17-21-20-16(22-17)12-6-7-12/h2-5,8-9,12H,6-7H2,1H3,(H2,18,19)
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n/an/a 2.30E+3n/an/an/an/an/an/a



H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human wild type GST-tagged LRRK2 (970 to 2527 residues) preincubated for 30 mins followed by fluorescein-LRRKtide substrate...

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM50470161
PNG
(CHEMBL4091112)
Show SMILES CCc1nnc(o1)-c1cc(cnc1N)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C17H15N5O/c1-2-15-21-22-17(23-15)13-8-12(9-20-16(13)18)10-3-4-14-11(7-10)5-6-19-14/h3-9,19H,2H2,1H3,(H2,18,20)
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n/an/a 2.90E+3n/an/an/an/an/an/a



H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LRRK2 (970 to 2527 residues) G2019S mutant expressed in baculovirus preincubated for 30 mins followed by fluorescein-...

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM50470158
PNG
(CHEMBL4103716)
Show SMILES Cc1nnc(o1)-c1cc(cnc1N)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C16H13N5O/c1-9-20-21-16(22-9)13-7-12(8-19-15(13)17)10-2-3-14-11(6-10)4-5-18-14/h2-8,18H,1H3,(H2,17,19)
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n/an/a 3.60E+3n/an/an/an/an/an/a



H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LRRK2 (970 to 2527 residues) G2019S mutant expressed in baculovirus preincubated for 30 mins followed by fluorescein-...

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM50470157
PNG
(CHEMBL4098856)
Show SMILES Cn1cc(cn1)-c1cc(cnc1N)-c1ccc2n(C)ccc2c1
Show InChI InChI=1S/C18H17N5/c1-22-6-5-13-7-12(3-4-17(13)22)14-8-16(18(19)20-9-14)15-10-21-23(2)11-15/h3-11H,1-2H3,(H2,19,20)
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n/an/a 5.80E+3n/an/an/an/an/an/a



H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LRRK2 (970 to 2527 residues) G2019S mutant expressed in baculovirus preincubated for 30 mins followed by fluorescein-...

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM50260924
PNG
(CHEMBL4104344)
Show SMILES Cc1ccc(cc1)-c1cnc(N)c(c1)-c1cnn(C)c1
Show InChI InChI=1S/C16H16N4/c1-11-3-5-12(6-4-11)13-7-15(16(17)18-8-13)14-9-19-20(2)10-14/h3-10H,1-2H3,(H2,17,18)
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n/an/a 6.70E+3n/an/an/an/an/an/a



H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LRRK2 (970 to 2527 residues) G2019S mutant expressed in baculovirus preincubated for 30 mins followed by fluorescein-...

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM50470160
PNG
(CHEMBL4069384)
Show SMILES Cc1cn(nn1)-c1cc(cnc1N)-c1ccc(C)cc1
Show InChI InChI=1S/C15H15N5/c1-10-3-5-12(6-4-10)13-7-14(15(16)17-8-13)20-9-11(2)18-19-20/h3-9H,1-2H3,(H2,16,17)
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n/an/a 9.10E+3n/an/an/an/an/an/a



H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LRRK2 (970 to 2527 residues) G2019S mutant expressed in baculovirus preincubated for 30 mins followed by fluorescein-...

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM50260923
PNG
(CHEMBL4092594)
Show SMILES CCn1cc(cn1)-c1cc(cnc1N)-c1ccc(C)cc1
Show InChI InChI=1S/C17H18N4/c1-3-21-11-15(10-20-21)16-8-14(9-19-17(16)18)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3,(H2,18,19)
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n/an/a 1.20E+4n/an/an/an/an/an/a



H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LRRK2 (970 to 2527 residues) G2019S mutant expressed in baculovirus preincubated for 30 mins followed by fluorescein-...

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM50260923
PNG
(CHEMBL4092594)
Show SMILES CCn1cc(cn1)-c1cc(cnc1N)-c1ccc(C)cc1
Show InChI InChI=1S/C17H18N4/c1-3-21-11-15(10-20-21)16-8-14(9-19-17(16)18)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3,(H2,18,19)
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n/an/a 1.20E+4n/an/an/an/an/an/a



H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human wild type GST-tagged LRRK2 (970 to 2527 residues) preincubated for 30 mins followed by fluorescein-LRRKtide substrate...

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM50470159
PNG
(CHEMBL4096615)
Show SMILES Cc1ccc(cc1)-c1cnc(N)c(c1)-c1cn[nH]c1
Show InChI InChI=1S/C15H14N4/c1-10-2-4-11(5-3-10)12-6-14(15(16)17-7-12)13-8-18-19-9-13/h2-9H,1H3,(H2,16,17)(H,18,19)
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n/an/a 1.30E+4n/an/an/an/an/an/a



H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LRRK2 (970 to 2527 residues) G2019S mutant expressed in baculovirus preincubated for 30 mins followed by fluorescein-...

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM50470156
PNG
(CHEMBL4100328)
Show SMILES Cn1cc(cn1)-c1cc(cnc1N)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C17H15N5/c1-22-10-14(9-21-22)15-7-13(8-20-17(15)18)11-2-3-16-12(6-11)4-5-19-16/h2-10,19H,1H3,(H2,18,20)
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n/an/a 1.30E+4n/an/an/an/an/an/a



H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LRRK2 (970 to 2527 residues) G2019S mutant expressed in baculovirus preincubated for 30 mins followed by fluorescein-...

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM50260924
PNG
(CHEMBL4104344)
Show SMILES Cc1ccc(cc1)-c1cnc(N)c(c1)-c1cnn(C)c1
Show InChI InChI=1S/C16H16N4/c1-11-3-5-12(6-4-11)13-7-15(16(17)18-8-13)14-9-19-20(2)10-14/h3-10H,1-2H3,(H2,17,18)
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n/an/a 1.60E+4n/an/an/an/an/an/a



H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human wild type GST-tagged LRRK2 (970 to 2527 residues) preincubated for 30 mins followed by fluorescein-LRRKtide substrate...

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM50260925
PNG
(CHEMBL4095694)
Show SMILES Cc1ncc(o1)-c1cc(cnc1N)-c1ccc(C)cc1
Show InChI InChI=1S/C16H15N3O/c1-10-3-5-12(6-4-10)13-7-14(16(17)19-8-13)15-9-18-11(2)20-15/h3-9H,1-2H3,(H2,17,19)
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n/an/a 2.40E+4n/an/an/an/an/an/a



H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human wild type GST-tagged LRRK2 (970 to 2527 residues) preincubated for 30 mins followed by fluorescein-LRRKtide substrate...

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM50260925
PNG
(CHEMBL4095694)
Show SMILES Cc1ncc(o1)-c1cc(cnc1N)-c1ccc(C)cc1
Show InChI InChI=1S/C16H15N3O/c1-10-3-5-12(6-4-10)13-7-14(16(17)19-8-13)15-9-18-11(2)20-15/h3-9H,1-2H3,(H2,17,19)
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n/an/a 2.40E+4n/an/an/an/an/an/a



H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human wild type GST-tagged LRRK2 (970 to 2527 residues) preincubated for 30 mins followed by fluorescein-LRRKtide substrate...

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM50470162
PNG
(CHEMBL4064894)
Show SMILES Cc1ccc(cc1)-c1cnc(N)c(c1)-c1cn(C)cn1
Show InChI InChI=1S/C16H16N4/c1-11-3-5-12(6-4-11)13-7-14(16(17)18-8-13)15-9-20(2)10-19-15/h3-10H,1-2H3,(H2,17,18)
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n/an/a 5.70E+4n/an/an/an/an/an/a



H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LRRK2 (970 to 2527 residues) G2019S mutant expressed in baculovirus preincubated for 30 mins followed by fluorescein-...

Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%