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Compile Data Set for Download or QSAR

Found 547 hits of affinity data for UniProtKB/TrEMBL: Q5S007    Zinc 0: unavailable per Zinc DB. Zinc 1: purchasable, 2 weeks to supply. Zinc 2: made on demand. Zinc 4: potentially available
Target
(Institution)
LigandTarget
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)
CHEMBL2152707
PNG
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)/b8-7+
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0
AffyNet 
0.3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to LRRK2


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL3122113
PNG
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)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
AffyNet 
Article
PubMed
0.7n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL3122119
PNG
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)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
AffyNet 
Article
PubMed
0.7n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL3122105
PNG
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)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
AffyNet 
Article
PubMed
0.9n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL2178125
PNG
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)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
1.0n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8791130, 46
PNG
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)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
AffyNet 
1.0n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8791130 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8791130, 45
PNG
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)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
AffyNet 
1.0n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8791130 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8791130, 41
PNG
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)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
AffyNet 
1.0n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8791130 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8791130, 26
PNG
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)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
AffyNet 
1.0n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8791130 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8791130, 25
PNG
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)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
AffyNet 
1.0n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8791130 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL2178134
PNG
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)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
1.0n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL2178135
PNG
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)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
1.0n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL2178140
PNG
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)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
1.0n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL2171743
PNG
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)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
1.0n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL2171745
PNG
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)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
1.0n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL3122114
PNG
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)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
AffyNet 
Article
PubMed
1.0n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8791130, 8
PNG
Show SMILES CNc1nc(Nc2ccc(cc2OC)-c2cncn2C)ncc1C(F)(F)F
Show InChI InChI=1S/C17H17F3N6O/c1-21-15-11(17(18,19)20)7-23-16(25-15)24-12-5-4-10(6-14(12)27-3)13-8-22-9-26(13)2/h4-9H,1-3H3,(H2,21,23,24,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
AffyNet 
2.0n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8791130 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8791130, 16
PNG
Show SMILES CNc1nc(Nc2ccc(cc2OC)-c2cncn2C)ncc1Cl
Show InChI InChI=1S/C16H17ClN6O/c1-18-15-11(17)7-20-16(22-15)21-12-5-4-10(6-14(12)24-3)13-8-19-9-23(13)2/h4-9H,1-3H3,(H2,18,20,21,22)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
AffyNet 
2.0n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8791130 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL3122116
PNG
Show SMILES CNc1nc(Nc2cn(nc2C)[C@H]2CCN(C[C@H]2F)C2COC2)ncc1C(F)(F)F
Show InChI InChI=1/C18H23F4N7O/c1-10-14(25-17-24-5-12(18(20,21)22)16(23-2)26-17)7-29(27-10)15-3-4-28(6-13(15)19)11-8-30-9-11/h5,7,11,13,15H,3-4,6,8-9H2,1-2H3,(H2,23,24,25,26)/t13-,15+/s2
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
AffyNet 
Article
PubMed
2.0n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL3122121
PNG
Show SMILES CNc1nc(Nc2cnn(C3CCOCC3)c2C)ncc1C(F)(F)F
Show InChI InChI=1S/C15H19F3N6O/c1-9-12(8-21-24(9)10-3-5-25-6-4-10)22-14-20-7-11(15(16,17)18)13(19-2)23-14/h7-8,10H,3-6H2,1-2H3,(H2,19,20,22,23)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
AffyNet 
Article
PubMed
2.0n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL3122120
PNG
Show SMILES CNc1nc(Nc2cnn(C3COC3)c2C)ncc1C(F)(F)F
Show InChI InChI=1S/C13H15F3N6O/c1-7-10(4-19-22(7)8-5-23-6-8)20-12-18-3-9(13(14,15)16)11(17-2)21-12/h3-4,8H,5-6H2,1-2H3,(H2,17,18,20,21)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
AffyNet 
Article
PubMed
2.0n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL2171745
PNG
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)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
2.0n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL3122118
PNG
Show SMILES CNc1nc(Nc2cnn(c2Cl)C2(CC2)C#N)ncc1C(F)(F)F
Show InChI InChI=1S/C13H11ClF3N7/c1-19-10-7(13(15,16)17)4-20-11(23-10)22-8-5-21-24(9(8)14)12(6-18)2-3-12/h4-5H,2-3H2,1H3,(H2,19,20,22,23)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
AffyNet 
Article
PubMed
2.0n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL3122117
PNG
Show SMILES CNc1nc(Nc2cnn([C@H]3CCN(C[C@@H]3F)C3COC3)c2Cl)ncc1C(F)(F)F
Show InChI InChI=1/C17H20ClF4N7O/c1-23-15-10(17(20,21)22)4-24-16(27-15)26-12-5-25-29(14(12)18)13-2-3-28(6-11(13)19)9-7-30-8-9/h4-5,9,11,13H,2-3,6-8H2,1H3,(H2,23,24,26,27)/t11-,13-/s2
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8791130, 38
PNG
Show SMILES CNc1nc(Nc2ccc(cc2OC)-c2cn(C)nc2C)ncc1C(F)(F)F
Show InChI InChI=1S/C18H19F3N6O/c1-10-12(9-27(3)26-10)11-5-6-14(15(7-11)28-4)24-17-23-8-13(18(19,20)21)16(22-2)25-17/h5-9H,1-4H3,(H2,22,23,24,25)
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Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8791130 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL2178124
PNG
Show SMILES CNc1nc(Nc2cc(Cl)c(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C18H19ClF3N5O3/c1-23-15-11(18(20,21)22)9-24-17(26-15)25-13-8-12(19)10(7-14(13)29-2)16(28)27-3-5-30-6-4-27/h7-9H,3-6H2,1-2H3,(H2,23,24,25,26)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL2171743
PNG
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)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8791130, 43
PNG
Show SMILES CNc1nc(Nc2cc(F)c(cc2OC)-c2cnnn2C)ncc1C(F)(F)F
Show InChI InChI=1S/C16H15F4N7O/c1-21-14-9(16(18,19)20)6-22-15(25-14)24-11-5-10(17)8(4-13(11)28-3)12-7-23-26-27(12)2/h4-7H,1-3H3,(H2,21,22,24,25)
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Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8791130 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8791130, 35
PNG
Show SMILES CNc1nc(Nc2ccc(cc2OC)-c2cnn(C)c2)ncc1Cl
Show InChI InChI=1S/C16H17ClN6O/c1-18-15-12(17)8-19-16(22-15)21-13-5-4-10(6-14(13)24-3)11-7-20-23(2)9-11/h4-9H,1-3H3,(H2,18,19,21,22)
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Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8791130 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL2178130
PNG
Show SMILES CNc1nc(Nc2cc(C)c(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C19H22F3N5O3/c1-11-8-14(25-18-24-10-13(19(20,21)22)16(23-2)26-18)15(29-3)9-12(11)17(28)27-4-6-30-7-5-27/h8-10H,4-7H2,1-3H3,(H2,23,24,25,26)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8791130, 40
PNG
Show SMILES CNc1nc(Nc2ccc(cc2OC)-c2nncn2C)ncc1C(F)(F)F
Show InChI InChI=1S/C16H16F3N7O/c1-20-13-10(16(17,18)19)7-21-15(24-13)23-11-5-4-9(6-12(11)27-3)14-25-22-8-26(14)2/h4-8H,1-3H3,(H2,20,21,23,24)
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Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8791130 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8791130, 27
PNG
Show SMILES CNc1nc(Nc2ccc(cc2OC)-n2cnnn2)ncc1C(F)(F)F
Show InChI InChI=1S/C14H13F3N8O/c1-18-12-9(14(15,16)17)6-19-13(22-12)21-10-4-3-8(5-11(10)26-2)25-7-20-23-24-25/h3-7H,1-2H3,(H2,18,19,21,22)
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Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8791130 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL2178137
PNG
Show SMILES CNc1nc(Nc2cc(F)c(cc2OC)S(C)(=O)=O)ncc1C(F)(F)F
Show InChI InChI=1S/C14H14F4N4O3S/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)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8791130, 17
PNG
Show SMILES CNc1nc(Nc2ccc(cc2OC)-c2cnnn2C)ncc1C(F)(F)F
Show InChI InChI=1S/C16H16F3N7O/c1-20-14-10(16(17,18)19)7-21-15(24-14)23-11-5-4-9(6-13(11)27-3)12-8-22-25-26(12)2/h4-8H,1-3H3,(H2,20,21,23,24)
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Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8791130 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL2152708
PNG
Show SMILES CC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)NC4COC4)n(c3)C(C)C)c12
Show InChI InChI=1S/C20H25N5O3/c1-11(2)25-8-13(7-16(25)19(26)22-14-9-27-10-14)18-17-15(23-24-18)5-6-21-20(17)28-12(3)4/h5-8,11-12,14H,9-10H2,1-4H3,(H,22,26)(H,23,24)
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TBA

Assay Description
Binding affinity to LRRK2


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL2170016
PNG
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Cl
Show InChI InChI=1S/C17H20ClN5O3/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)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL3122115
PNG
Show SMILES CNc1nc(Nc2cn(nc2C)C2(CC2)C#N)ncc1C(F)(F)F
Show InChI InChI=1S/C14H14F3N7/c1-8-10(6-24(23-8)13(7-18)3-4-13)21-12-20-5-9(14(15,16)17)11(19-2)22-12/h5-6H,3-4H2,1-2H3,(H2,19,20,21,22)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8791130, 42
PNG
Show SMILES CNc1nc(Nc2cc(F)c(cc2OC)-n2nnnc2C)ncc1C(F)(F)F
Show InChI InChI=1S/C15H14F4N8O/c1-7-24-25-26-27(7)11-5-12(28-3)10(4-9(11)16)22-14-21-6-8(15(17,18)19)13(20-2)23-14/h4-6H,1-3H3,(H2,20,21,22,23)
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Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8791130 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL3122108
PNG
Show SMILES CNc1nc(Nc2cnn3CCOC(C)c23)ncc1C(F)(F)F
Show InChI InChI=1/C13H15F3N6O/c1-7-10-9(6-19-22(10)3-4-23-7)20-12-18-5-8(13(14,15)16)11(17-2)21-12/h5-7H,3-4H2,1-2H3,(H2,17,18,20,21)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8791130, 24
PNG
Show SMILES CNc1nc(Nc2cc(OC)c(cc2Cl)-c2c(C)nn(C)c2C)ncc1C(F)(F)F
Show InChI InChI=1S/C19H20ClF3N6O/c1-9-16(10(2)29(4)28-9)11-6-13(20)14(7-15(11)30-5)26-18-25-8-12(19(21,22)23)17(24-3)27-18/h6-8H,1-5H3,(H2,24,25,26,27)
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Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8791130 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8791130, 23
PNG
Show SMILES CNc1nc(Nc2ccc(cc2OC)-c2cnnn2C)ncc1Cl
Show InChI InChI=1S/C15H16ClN7O/c1-17-14-10(16)7-18-15(21-14)20-11-5-4-9(6-13(11)24-3)12-8-19-22-23(12)2/h4-8H,1-3H3,(H2,17,18,20,21)
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Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8791130 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8791130, 21
PNG
Show SMILES CNc1nc(Nc2cc(OC)c(cc2Cl)-c2cncn2C)ncc1C(F)(F)F
Show InChI InChI=1S/C17H16ClF3N6O/c1-22-15-10(17(19,20)21)6-24-16(26-15)25-12-5-14(28-3)9(4-11(12)18)13-7-23-8-27(13)2/h4-8H,1-3H3,(H2,22,24,25,26)
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Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8791130 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8791130, 20
PNG
Show SMILES CNc1nc(Nc2ccc(cc2OC)-c2nnnn2C)ncc1C(F)(F)F
Show InChI InChI=1S/C15H15F3N8O/c1-19-12-9(15(16,17)18)7-20-14(22-12)21-10-5-4-8(6-11(10)27-3)13-23-24-25-26(13)2/h4-7H,1-3H3,(H2,19,20,21,22)
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Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8791130 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8791130, 19
PNG
Show SMILES CNc1nc(Nc2cc(OC)c(cc2Cl)-c2nccn2C)ncc1C(F)(F)F
Show InChI InChI=1S/C17H16ClF3N6O/c1-22-14-10(17(19,20)21)8-24-16(26-14)25-12-7-13(28-3)9(6-11(12)18)15-23-4-5-27(15)2/h4-8H,1-3H3,(H2,22,24,25,26)
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Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8791130 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8791130, 4
PNG
Show SMILES CNc1nc(Nc2ccc(cc2OC)-n2cncn2)ncc1C(F)(F)F
Show InChI InChI=1S/C15H14F3N7O/c1-19-13-10(15(16,17)18)6-21-14(24-13)23-11-4-3-9(5-12(11)26-2)25-8-20-7-22-25/h3-8H,1-2H3,(H2,19,21,23,24)
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Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8791130 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8791130, 1
PNG
Show SMILES CNc1nc(Nc2ccc(cc2Cl)-c2nnn[nH]2)ncc1C(F)(F)F
Show InChI InChI=1S/C13H10ClF3N8/c1-18-11-7(13(15,16)17)5-19-12(21-11)20-9-3-2-6(4-8(9)14)10-22-24-25-23-10/h2-5H,1H3,(H2,18,19,20,21)(H,22,23,24,25)
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Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8791130 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8569281, 164
PNG
Show SMILES C1C[C@@H](CO1)n1cc(cn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
Show InChI InChI=1/C18H21N5O3/c1-5-19-18(26-14-3-7-24-8-4-14)16-15(1)21-22-17(16)12-9-20-23(10-12)13-2-6-25-11-13/h1,5,9-10,13-14H,2-4,6-8,11H2,(H,21,22)/t13-/s2
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3.0n/an/an/an/an/an/an/an/a



Medical Research Council Technology; Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining Kiapp, IC50 or percent inhibition values.


US Patent US8569281 (2013)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8569281, 127
PNG
Show SMILES C1CCN(C1)c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
Show InChI InChI=1S/C20H23N5O2/c1-2-10-25(9-1)17-13-14(3-7-21-17)19-18-16(23-24-19)4-8-22-20(18)27-15-5-11-26-12-6-15/h3-4,7-8,13,15H,1-2,5-6,9-12H2,(H,23,24)
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US Patent
3.0n/an/an/an/an/an/an/an/a



Medical Research Council Technology; Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining Kiapp, IC50 or percent inhibition values.


US Patent US8569281 (2013)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
US8791130, 39
PNG
Show SMILES CNc1nc(Nc2ccc(cc2OC)-c2cnn(C)c2C)ncc1C(F)(F)F
Show InChI InChI=1S/C18H19F3N6O/c1-10-12(8-24-27(10)3)11-5-6-14(15(7-11)28-4)25-17-23-9-13(18(19,20)21)16(22-2)26-17/h5-9H,1-4H3,(H2,22,23,25,26)
UniProtKB/SwissProt

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AffyNet 
3.0n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...


US Patent US8791130 (2014)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens)
CHEMBL2178138
PNG
Show SMILES CCNc1nc(Nc2cnc(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C18H21F3N6O3/c1-3-22-15-11(18(19,20)21)9-24-17(26-15)25-13-10-23-12(8-14(13)29-2)16(28)27-4-6-30-7-5-27/h8-10H,3-7H2,1-2H3,(H2,22,24,25,26)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
ZINC 0
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Article
PubMed
3.0n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay


Citation and Details
More data for this
Ligand-Target Pair
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