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Compile Data Set for Download or QSAR

Found 933 hits with Last Name = 'gill' and Initial = 'a'   
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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176988
PNG
(8-Chloro-1-(2,4-dichloro-phenyl)-1,3a,4,5,6,10b-he...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C24H23Cl3N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32)
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0.000350n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor (unknown origin)


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
BindingDB Entry DOI: 10.7270/Q29K4B0X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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0.280n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Cannabinoid receptor 2 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand


J Med Chem 41: 5177-87 (1999)


Article DOI: 10.1021/jm9801197
BindingDB Entry DOI: 10.7270/Q2ST7QJJ
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50448127
PNG
(CHEMBL3122119 | US9212173, 44)
Show SMILES CCNc1nc(Nc2cc(nn2C)C(C)(C)C#N)ncc1C(F)(F)F
Show InChI InChI=1S/C15H18F3N7/c1-5-20-12-9(15(16,17)18)7-21-13(23-12)22-11-6-10(24-25(11)4)14(2,3)8-19/h6-7H,5H2,1-4H3,(H2,20,21,22,23)
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0.700n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


J Med Chem 57: 921-36 (2014)


Article DOI: 10.1021/jm401654j
BindingDB Entry DOI: 10.7270/Q2N0181N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50448118
PNG
(CHEMBL3122113)
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)
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0.700n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


J Med Chem 57: 921-36 (2014)


Article DOI: 10.1021/jm401654j
BindingDB Entry DOI: 10.7270/Q2N0181N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50448126
PNG
(CHEMBL3122105 | US9212186, 22)
Show SMILES CNc1nc(Nc2cnn3CC(C)(C)OCc23)ncc1C(F)(F)F
Show InChI InChI=1S/C14H17F3N6O/c1-13(2)7-23-10(6-24-13)9(5-20-23)21-12-19-4-8(14(15,16)17)11(18-3)22-12/h4-5H,6-7H2,1-3H3,(H2,18,19,21,22)
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0.900n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


J Med Chem 57: 921-36 (2014)


Article DOI: 10.1021/jm401654j
BindingDB Entry DOI: 10.7270/Q2N0181N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50448117
PNG
(CHEMBL3122114)
Show SMILES CNc1nc(Nc2cnn(c2C)C(C)(C)C#N)ncc1C(F)(F)F
Show InChI InChI=1S/C14H16F3N7/c1-8-10(6-21-24(8)13(2,3)7-18)22-12-20-5-9(14(15,16)17)11(19-4)23-12/h5-6H,1-4H3,(H2,19,20,22,23)
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1n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


J Med Chem 57: 921-36 (2014)


Article DOI: 10.1021/jm401654j
BindingDB Entry DOI: 10.7270/Q2N0181N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50398676
PNG
(CHEMBL2178125)
Show SMILES CNc1nc(Nc2cc(OC)c(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C19H22F3N5O4/c1-23-16-12(19(20,21)22)10-24-18(26-16)25-13-9-14(29-2)11(8-15(13)30-3)17(28)27-4-6-31-7-5-27/h8-10H,4-7H2,1-3H3,(H2,23,24,25,26)
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1n/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


J Med Chem 55: 9416-33 (2012)


Article DOI: 10.1021/jm301020q
BindingDB Entry DOI: 10.7270/Q2P55PN7
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(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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1n/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


J Med Chem 55: 9416-33 (2012)


Article DOI: 10.1021/jm301020q
BindingDB Entry DOI: 10.7270/Q2P55PN7
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50398667
PNG
(CHEMBL2178135)
Show SMILES COc1cc(C(=O)N2CCOCC2)c(F)cc1Nc1ncc(c(NC2CC2)n1)C(F)(F)F
Show InChI InChI=1S/C20H21F4N5O3/c1-31-16-8-12(18(30)29-4-6-32-7-5-29)14(21)9-15(16)27-19-25-10-13(20(22,23)24)17(28-19)26-11-2-3-11/h8-11H,2-7H2,1H3,(H2,25,26,27,28)
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1n/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


J Med Chem 55: 9416-33 (2012)


Article DOI: 10.1021/jm301020q
BindingDB Entry DOI: 10.7270/Q2P55PN7
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50398662
PNG
(CHEMBL2178140)
Show SMILES CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)NCC(C)(C)O)ncc1C(F)(F)F
Show InChI InChI=1S/C19H23F4N5O3/c1-5-24-15-11(19(21,22)23)8-25-17(28-15)27-13-7-12(20)10(6-14(13)31-4)16(29)26-9-18(2,3)30/h6-8,30H,5,9H2,1-4H3,(H,26,29)(H2,24,25,27,28)
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1n/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


J Med Chem 55: 9416-33 (2012)


Article DOI: 10.1021/jm301020q
BindingDB Entry DOI: 10.7270/Q2P55PN7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50114673
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H22Cl3N3O/c1-14-21(23(30)27-18-5-3-2-4-6-18)28-29(20-12-11-17(25)13-19(20)26)22(14)15-7-9-16(24)10-8-15/h7-13,18H,2-6H2,1H3,(H,27,30)
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1.07n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity in a competition assay by displacement of [3H]- SR-141,716 from Cannabinoid receptor 1 in rat whole brain membrane preparation


J Med Chem 45: 2708-19 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3DQW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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1.18n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
BindingDB Entry DOI: 10.7270/Q29K4B0X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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1.18n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity in a competition assay by displacement of [3H]- SR-141,716 from Cannabinoid receptor 1 in rat whole brain membrane preparation


J Med Chem 45: 2708-19 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3DQW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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1.18n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
BindingDB Entry DOI: 10.7270/Q27P8ZMC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50448113
PNG
(CHEMBL3122121)
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)
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2n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


J Med Chem 57: 921-36 (2014)


Article DOI: 10.1021/jm401654j
BindingDB Entry DOI: 10.7270/Q2N0181N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50396150
PNG
(CHEMBL2171743)
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Br
Show InChI InChI=1S/C17H20BrN5O3/c1-19-15-12(18)10-20-17(22-15)21-13-4-3-11(9-14(13)25-2)16(24)23-5-7-26-8-6-23/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22)
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2n/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


J Med Chem 55: 9416-33 (2012)


Article DOI: 10.1021/jm301020q
BindingDB Entry DOI: 10.7270/Q2P55PN7
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50448110
PNG
(CHEMBL3122117)
Show SMILES CNc1nc(Nc2cnn([C@H]3CCN(C[C@@H]3F)C3COC3)c2Cl)ncc1C(F)(F)F |r|
Show InChI InChI=1S/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-/m0/s1
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2n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


J Med Chem 57: 921-36 (2014)


Article DOI: 10.1021/jm401654j
BindingDB Entry DOI: 10.7270/Q2N0181N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50448114
PNG
(CHEMBL3122120)
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)
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2n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


J Med Chem 57: 921-36 (2014)


Article DOI: 10.1021/jm401654j
BindingDB Entry DOI: 10.7270/Q2N0181N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50398672
PNG
(CHEMBL2178130)
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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2n/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


J Med Chem 55: 9416-33 (2012)


Article DOI: 10.1021/jm301020q
BindingDB Entry DOI: 10.7270/Q2P55PN7
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50398665
PNG
(CHEMBL2178137 | US9145402, 15)
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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2n/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


J Med Chem 55: 9416-33 (2012)


Article DOI: 10.1021/jm301020q
BindingDB Entry DOI: 10.7270/Q2P55PN7
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50448115
PNG
(CHEMBL3122118)
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)
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2n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


J Med Chem 57: 921-36 (2014)


Article DOI: 10.1021/jm401654j
BindingDB Entry DOI: 10.7270/Q2N0181N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50448111
PNG
(CHEMBL3122116)
Show SMILES CNc1nc(Nc2cn(nc2C)[C@H]2CCN(C[C@H]2F)C2COC2)ncc1C(F)(F)F |r|
Show InChI InChI=1S/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+/m1/s1
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2n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


J Med Chem 57: 921-36 (2014)


Article DOI: 10.1021/jm401654j
BindingDB Entry DOI: 10.7270/Q2N0181N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50396148
PNG
(CHEMBL2171745 | US8802674, 50)
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C18H20F3N5O3/c1-22-15-12(18(19,20)21)10-23-17(25-15)24-13-4-3-11(9-14(13)28-2)16(27)26-5-7-29-8-6-26/h3-4,9-10H,5-8H2,1-2H3,(H2,22,23,24,25)
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2n/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


J Med Chem 55: 9416-33 (2012)


Article DOI: 10.1021/jm301020q
BindingDB Entry DOI: 10.7270/Q2P55PN7
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50398677
PNG
(CHEMBL2178124 | US8802674, 292)
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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2n/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


J Med Chem 55: 9416-33 (2012)


Article DOI: 10.1021/jm301020q
BindingDB Entry DOI: 10.7270/Q2P55PN7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50068669
PNG
(4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(Z)-ylide...)
Show SMILES CC1=C(CCN2CCOCC2)c2ccccc2\C1=C\c1cccc2ccccc12 |c:1|
Show InChI InChI=1S/C27H27NO/c1-20-23(13-14-28-15-17-29-18-16-28)25-11-4-5-12-26(25)27(20)19-22-9-6-8-21-7-2-3-10-24(21)22/h2-12,19H,13-18H2,1H3/b27-19+
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2.10n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Cannabinoid receptor 2 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand


J Med Chem 41: 5177-87 (1999)


Article DOI: 10.1021/jm9801197
BindingDB Entry DOI: 10.7270/Q2ST7QJJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328956
PNG
(CHEMBL1269774 | N-{11-[(11-Aminoundecyl)amino]unde...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCCCCNCCCCCCCCCCCN
Show InChI InChI=1S/C39H58Cl3N5O/c1-31-37(46-47(36-25-24-34(41)30-35(36)42)38(31)32-20-22-33(40)23-21-32)39(48)45-29-19-15-11-7-3-6-10-14-18-28-44-27-17-13-9-5-2-4-8-12-16-26-43/h20-25,30,44H,2-19,26-29,43H2,1H3,(H,45,48)
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2.30n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
BindingDB Entry DOI: 10.7270/Q27P8ZMC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50114673
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H22Cl3N3O/c1-14-21(23(30)27-18-5-3-2-4-6-18)28-29(20-12-11-17(25)13-19(20)26)22(14)15-7-9-16(24)10-8-15/h7-13,18H,2-6H2,1H3,(H,27,30)
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2.46n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity in a competition assay by displacement of [3H]- CP 55 940 from Cannabinoid receptor 1 in rat whole brain membrane preparation


J Med Chem 45: 2708-19 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3DQW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand


J Med Chem 41: 5177-87 (1999)


Article DOI: 10.1021/jm9801197
BindingDB Entry DOI: 10.7270/Q2ST7QJJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50068666
PNG
(4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-in...)
Show SMILES C(CC1=C\C(=C/c2cccc3ccccc23)c2ccccc12)N1CCOCC1 |t:2|
Show InChI InChI=1S/C26H25NO/c1-2-9-24-20(6-1)7-5-8-21(24)18-23-19-22(25-10-3-4-11-26(23)25)12-13-27-14-16-28-17-15-27/h1-11,18-19H,12-17H2/b23-18+
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2.70n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Cannabinoid receptor 2 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand


J Med Chem 41: 5177-87 (1999)


Article DOI: 10.1021/jm9801197
BindingDB Entry DOI: 10.7270/Q2ST7QJJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50068666
PNG
(4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-in...)
Show SMILES C(CC1=C\C(=C/c2cccc3ccccc23)c2ccccc12)N1CCOCC1 |t:2|
Show InChI InChI=1S/C26H25NO/c1-2-9-24-20(6-1)7-5-8-21(24)18-23-19-22(25-10-3-4-11-26(23)25)12-13-27-14-16-28-17-15-27/h1-11,18-19H,12-17H2/b23-18+
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2.70n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand


J Med Chem 41: 5177-87 (1999)


Article DOI: 10.1021/jm9801197
BindingDB Entry DOI: 10.7270/Q2ST7QJJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50068669
PNG
(4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(Z)-ylide...)
Show SMILES CC1=C(CCN2CCOCC2)c2ccccc2\C1=C\c1cccc2ccccc12 |c:1|
Show InChI InChI=1S/C27H27NO/c1-20-23(13-14-28-15-17-29-18-16-28)25-11-4-5-12-26(25)27(20)19-22-9-6-8-21-7-2-3-10-24(21)22/h2-12,19H,13-18H2,1H3/b27-19+
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2.90n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand


J Med Chem 41: 5177-87 (1999)


Article DOI: 10.1021/jm9801197
BindingDB Entry DOI: 10.7270/Q2ST7QJJ
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50396041
PNG
(CHEMBL2170016)
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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3n/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


J Med Chem 55: 9416-33 (2012)


Article DOI: 10.1021/jm301020q
BindingDB Entry DOI: 10.7270/Q2P55PN7
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50398674
PNG
(CHEMBL2178127 | US8802674, 147)
Show SMILES CCNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCOCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C19H21ClF3N5O3/c1-3-24-16-12(19(21,22)23)10-25-18(27-16)26-14-9-15(30-2)11(8-13(14)20)17(29)28-4-6-31-7-5-28/h8-10H,3-7H2,1-2H3,(H2,24,25,26,27)
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3n/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


J Med Chem 55: 9416-33 (2012)


Article DOI: 10.1021/jm301020q
BindingDB Entry DOI: 10.7270/Q2P55PN7
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50398664
PNG
(CHEMBL2178138)
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)
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3n/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


J Med Chem 55: 9416-33 (2012)


Article DOI: 10.1021/jm301020q
BindingDB Entry DOI: 10.7270/Q2P55PN7
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50448125
PNG
(CHEMBL3122106 | US9212186, 17)
Show SMILES CNc1nc(Nc2cnn3CCOCc23)ncc1C(F)(F)F
Show InChI InChI=1S/C12H13F3N6O/c1-16-10-7(12(13,14)15)4-17-11(20-10)19-8-5-18-21-2-3-22-6-9(8)21/h4-5H,2-3,6H2,1H3,(H2,16,17,19,20)
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3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


J Med Chem 57: 921-36 (2014)


Article DOI: 10.1021/jm401654j
BindingDB Entry DOI: 10.7270/Q2N0181N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50448123
PNG
(CHEMBL3122108 | US9212186, 16)
Show SMILES CNc1nc(Nc2cnn3CCOC(C)c23)ncc1C(F)(F)F
Show InChI InChI=1S/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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3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


J Med Chem 57: 921-36 (2014)


Article DOI: 10.1021/jm401654j
BindingDB Entry DOI: 10.7270/Q2N0181N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50448116
PNG
(CHEMBL3122115)
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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3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


J Med Chem 57: 921-36 (2014)


Article DOI: 10.1021/jm401654j
BindingDB Entry DOI: 10.7270/Q2N0181N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50448112
PNG
(CHEMBL3122122)
Show SMILES CNc1nc(Nc2cnn(C3CCN(CC3)C3COC3)c2C)ncc1C(F)(F)F
Show InChI InChI=1S/C18H24F3N7O/c1-11-15(25-17-23-7-14(18(19,20)21)16(22-2)26-17)8-24-28(11)12-3-5-27(6-4-12)13-9-29-10-13/h7-8,12-13H,3-6,9-10H2,1-2H3,(H2,22,23,25,26)
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4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


J Med Chem 57: 921-36 (2014)


Article DOI: 10.1021/jm401654j
BindingDB Entry DOI: 10.7270/Q2N0181N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50398661
PNG
(CHEMBL2178141 | US8796296, 24)
Show SMILES CCNc1nc(Nc2cc3CN(CC(C)(C)O)C(=O)c3cc2OC)ncc1C(F)(F)F
Show InChI InChI=1S/C20H24F3N5O3/c1-5-24-16-13(20(21,22)23)8-25-18(27-16)26-14-6-11-9-28(10-19(2,3)30)17(29)12(11)7-15(14)31-4/h6-8,30H,5,9-10H2,1-4H3,(H2,24,25,26,27)
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4n/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


J Med Chem 55: 9416-33 (2012)


Article DOI: 10.1021/jm301020q
BindingDB Entry DOI: 10.7270/Q2P55PN7
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50398675
PNG
(CHEMBL2178126 | US8802674, 296)
Show SMILES CNc1nc(Nc2cc(OC)c(cc2Cl)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)25-13-8-14(29-2)10(7-12(13)19)16(28)27-3-5-30-6-4-27/h7-9H,3-6H2,1-2H3,(H2,23,24,25,26)
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4n/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


J Med Chem 55: 9416-33 (2012)


Article DOI: 10.1021/jm301020q
BindingDB Entry DOI: 10.7270/Q2P55PN7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328952
PNG
(CHEMBL1269766 | N,N'-(Iminodiheptane-7,1-diyl)bis[...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCNCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C48H51Cl6N7O2/c1-31-43(58-60(41-23-21-37(51)29-39(41)53)45(31)33-13-17-35(49)18-14-33)47(62)56-27-11-7-3-5-9-25-55-26-10-6-4-8-12-28-57-48(63)44-32(2)46(34-15-19-36(50)20-16-34)61(59-44)42-24-22-38(52)30-40(42)54/h13-24,29-30,55H,3-12,25-28H2,1-2H3,(H,56,62)(H,57,63)
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4.41n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
BindingDB Entry DOI: 10.7270/Q27P8ZMC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328956
PNG
(CHEMBL1269774 | N-{11-[(11-Aminoundecyl)amino]unde...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCCCCNCCCCCCCCCCCN
Show InChI InChI=1S/C39H58Cl3N5O/c1-31-37(46-47(36-25-24-34(41)30-35(36)42)38(31)32-20-22-33(40)23-21-32)39(48)45-29-19-15-11-7-3-6-10-14-18-28-44-27-17-13-9-5-2-4-8-12-16-26-43/h20-25,30,44H,2-19,26-29,43H2,1H3,(H,45,48)
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4.56n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
BindingDB Entry DOI: 10.7270/Q27P8ZMC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50398659
PNG
(CHEMBL2178123)
Show SMILES COc1cc(ccc1Nc1ncc(Br)c(OC)n1)C(=O)N1CCOCC1
Show InChI InChI=1S/C17H19BrN4O4/c1-24-14-9-11(16(23)22-5-7-26-8-6-22)3-4-13(14)20-17-19-10-12(18)15(21-17)25-2/h3-4,9-10H,5-8H2,1-2H3,(H,19,20,21)
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5n/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


J Med Chem 55: 9416-33 (2012)


Article DOI: 10.1021/jm301020q
BindingDB Entry DOI: 10.7270/Q2P55PN7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328957
PNG
(CHEMBL1269773 | N-{9-[(9-Aminononyl)amino]nonyl}-5...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCCNCCCCCCCCCN
Show InChI InChI=1S/C35H50Cl3N5O/c1-27-33(42-43(32-21-20-30(37)26-31(32)38)34(27)28-16-18-29(36)19-17-28)35(44)41-25-15-11-7-3-6-10-14-24-40-23-13-9-5-2-4-8-12-22-39/h16-21,26,40H,2-15,22-25,39H2,1H3,(H,41,44)
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5.44n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
BindingDB Entry DOI: 10.7270/Q27P8ZMC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328967
PNG
(CHEMBL1269776 | N-{11-[(11-Aminoundecyl)(methyl)am...)
Show SMILES CN(CCCCCCCCCCCN)CCCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C40H60Cl3N5O/c1-32-38(46-48(37-26-25-35(42)31-36(37)43)39(32)33-21-23-34(41)24-22-33)40(49)45-28-18-14-10-6-4-8-12-16-20-30-47(2)29-19-15-11-7-3-5-9-13-17-27-44/h21-26,31H,3-20,27-30,44H2,1-2H3,(H,45,49)
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5.51n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
BindingDB Entry DOI: 10.7270/Q27P8ZMC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176988
PNG
(8-Chloro-1-(2,4-dichloro-phenyl)-1,3a,4,5,6,10b-he...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C24H23Cl3N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32)
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5.55n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
BindingDB Entry DOI: 10.7270/Q29K4B0X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50271287
PNG
(5-(4-Chloro-2-methylphenyl)-1-(2,4-dichlorophenyl)...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1C)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(23.68,.56,;24.82,-.46,;26.33,-.13,;27.11,-1.46,;26.08,-2.61,;24.67,-1.99,;23.34,-2.76,;23.35,-4.32,;22,-5.09,;20.67,-4.32,;19.34,-5.08,;20.68,-2.77,;22,-2,;21.99,-.46,;26.41,-4.12,;25.27,-5.15,;25.59,-6.65,;27.06,-7.12,;27.39,-8.63,;28.2,-6.08,;27.87,-4.58,;29.01,-3.54,;26.95,1.28,;26.04,2.52,;28.48,1.44,;29.1,2.85,;30.64,3.02,;31.26,4.41,;30.35,5.66,;28.82,5.5,;28.19,4.09,)|
Show InChI InChI=1S/C23H23Cl3N4O/c1-14-12-16(24)6-8-18(14)22-15(2)21(23(31)28-29-10-4-3-5-11-29)27-30(22)20-9-7-17(25)13-19(20)26/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,28,31)
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5.83n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
BindingDB Entry DOI: 10.7270/Q29K4B0X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50448124
PNG
(CHEMBL3122107)
Show SMILES CNc1nc(Nc2cnn3C[C@H](C)OC(C)c23)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C14H17F3N6O/c1-7-6-23-11(8(2)24-7)10(5-20-23)21-13-19-4-9(14(15,16)17)12(18-3)22-13/h4-5,7-8H,6H2,1-3H3,(H2,18,19,21,22)/t7-,8?/m0/s1
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6n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


J Med Chem 57: 921-36 (2014)


Article DOI: 10.1021/jm401654j
BindingDB Entry DOI: 10.7270/Q2N0181N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50398669
PNG
(CHEMBL2178133 | US8802674, 239)
Show SMILES CNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C18H19F4N5O3/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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6n/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


J Med Chem 55: 9416-33 (2012)


Article DOI: 10.1021/jm301020q
BindingDB Entry DOI: 10.7270/Q2P55PN7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328960
PNG
(CHEMBL1269775 | N-{9-[(9-Aminononyl)(methyl)amino]...)
Show SMILES CN(CCCCCCCCCN)CCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C36H52Cl3N5O/c1-28-34(42-44(33-22-21-31(38)27-32(33)39)35(28)29-17-19-30(37)20-18-29)36(45)41-24-14-10-6-4-8-12-16-26-43(2)25-15-11-7-3-5-9-13-23-40/h17-22,27H,3-16,23-26,40H2,1-2H3,(H,41,45)
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6.12n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
BindingDB Entry DOI: 10.7270/Q27P8ZMC
More data for this
Ligand-Target Pair
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