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USPatent US9896447

Compile data set for download or QSAR
Found 46 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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373109
PNG
(1-(2-methyl-4- phenyl-1,3-thiazol- 5-yl)-3-(2- phe...)
Show SMILES Cc1nc(c(NC(=O)Nc2c(nc3ccccn23)-c2ccccc2)s1)-c1ccccc1
Show InChI InChI=1S/C24H19N5OS/c1-16-25-21(18-12-6-3-7-13-18)23(31-16)28-24(30)27-22-20(17-10-4-2-5-11-17)26-19-14-8-9-15-29(19)22/h2-15H,1H3,(H2,27,28,30)
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n/an/a 48n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373084
PNG
(1,3-bis(2- phenylimidazo[1,2- a]pyridin-3-yl)urea ...)
Show SMILES O=C(Nc1c(nc2ccccn12)-c1ccccc1)Nc1c(nc2ccccn12)-c1ccccc1
Show InChI InChI=1S/C27H20N6O/c34-27(30-25-23(19-11-3-1-4-12-19)28-21-15-7-9-17-32(21)25)31-26-24(20-13-5-2-6-14-20)29-22-16-8-10-18-33(22)26/h1-18H,(H2,30,31,34)
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n/an/a 82n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373104
PNG
(1-(2-methyl-4- phenylpyrimidin-5- yl)-3-(2- phenyl...)
Show SMILES Cc1ncc(NC(=O)Nc2c(nc3ccccn23)-c2ccccc2)c(n1)-c1ccccc1
Show InChI InChI=1S/C25H20N6O/c1-17-26-16-20(22(27-17)18-10-4-2-5-11-18)28-25(32)30-24-23(19-12-6-3-7-13-19)29-21-14-8-9-15-31(21)24/h2-16H,1H3,(H2,28,30,32)
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n/an/a 150n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373085
PNG
(1-(1,3-diphenyl-1H- pyrazol-5-yl)-3- pyridin-2-ylu...)
Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)Nc1ccccn1
Show InChI InChI=1S/C21H17N5O/c27-21(23-19-13-7-8-14-22-19)24-20-15-18(16-9-3-1-4-10-16)25-26(20)17-11-5-2-6-12-17/h1-15H,(H2,22,23,24,27)
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n/an/a 160n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373101
PNG
(1,3-bis[2- (methylsulfanyl)-4- phenylpyrimidin-5- ...)
Show SMILES CSc1ncc(NC(=O)Nc2cnc(SC)nc2-c2ccccc2)c(n1)-c1ccccc1
Show InChI InChI=1S/C23H20N6OS2/c1-31-22-24-13-17(19(28-22)15-9-5-3-6-10-15)26-21(30)27-18-14-25-23(32-2)29-20(18)16-11-7-4-8-12-16/h3-14H,1-2H3,(H2,26,27,30)
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n/an/a 280n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373099
PNG
(1-naphthalen-1-yl-3- (6- phenylimidazo[2,1- b][1,3...)
Show SMILES O=C(Nc1c(nc2sccn12)-c1ccccc1)Nc1cccc2ccccc12
Show InChI InChI=1S/C22H16N4OS/c27-21(23-18-12-6-10-15-7-4-5-11-17(15)18)25-20-19(16-8-2-1-3-9-16)24-22-26(20)13-14-28-22/h1-14H,(H2,23,25,27)
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n/an/a 290n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373097
PNG
(1-(5-methyl-3- phenylisoxazol-4- yl)-3-[2- (triflu...)
Show SMILES Cc1onc(c1NC(=O)NCc1ccccc1C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C19H16F3N3O2/c1-12-16(17(25-27-12)13-7-3-2-4-8-13)24-18(26)23-11-14-9-5-6-10-15(14)19(20,21)22/h2-10H,11H2,1H3,(H2,23,24,26)
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n/an/a 350n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373092
PNG
(1-(1-phenyl-3- pyridin-4-yl-1H- pyrazol-5-yl)-3- p...)
Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccncc1)Nc1ccccn1
Show InChI InChI=1S/C20H16N6O/c27-20(23-18-8-4-5-11-22-18)24-19-14-17(15-9-12-21-13-10-15)25-26(19)16-6-2-1-3-7-16/h1-14H,(H2,22,23,24,27)
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n/an/a 350n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373130
PNG
(1-(5-methyl-3- phenylisoxazol-4- yl)-3-{2- [(trifl...)
Show SMILES Cc1onc(c1NC(=O)NCc1ccccc1OC(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C19H16F3N3O3/c1-12-16(17(25-28-12)13-7-3-2-4-8-13)24-18(26)23-11-14-9-5-6-10-15(14)27-19(20,21)22/h2-10H,11H2,1H3,(H2,23,24,26)
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n/an/a 420n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373129
PNG
(1-(1-phenyl-1H- pyrazol-5-yl)-3-{2- [(trifluoromet...)
Show SMILES FC(F)(F)Sc1ccccc1CNC(=O)Nc1ccnn1-c1ccccc1
Show InChI InChI=1S/C18H15F3N4OS/c19-18(20,21)27-15-9-5-4-6-13(15)12-22-17(26)24-16-10-11-23-25(16)14-7-2-1-3-8-14/h1-11H,12H2,(H2,22,24,26)
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n/an/a 420n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373089
PNG
(1-biphenyl-2-yl-3- (3-methyl-1-phenyl- 1H-pyrazol-...)
Show SMILES Cc1cc(NC(=O)Nc2ccccc2-c2ccccc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C23H20N4O/c1-17-16-22(27(26-17)19-12-6-3-7-13-19)25-23(28)24-21-15-9-8-14-20(21)18-10-4-2-5-11-18/h2-16H,1H3,(H2,24,25,28)
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n/an/a 420n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373107
PNG
(1-(2- phenylimidazo[1,2- a]pyridin-3-yl)-3-(2- phe...)
Show SMILES O=C(Nc1c(nc2ccccn12)-c1ccccc1)Nc1cccnc1-c1ccccc1
Show InChI InChI=1S/C25H19N5O/c31-25(27-20-14-9-16-26-22(20)18-10-3-1-4-11-18)29-24-23(19-12-5-2-6-13-19)28-21-15-7-8-17-30(21)24/h1-17H,(H2,27,29,31)
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n/an/a 450n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373111
PNG
(US9896447, Compound 28 | ethyl 3-{[(2- phenylimida...)
Show SMILES CCOC(=O)c1nc2ccccn2c1NC(=O)Nc1c(nc2ccccn12)-c1ccccc1
Show InChI InChI=1S/C24H20N6O3/c1-2-33-23(31)20-22(30-15-9-7-13-18(30)26-20)28-24(32)27-21-19(16-10-4-3-5-11-16)25-17-12-6-8-14-29(17)21/h3-15H,2H2,1H3,(H2,27,28,32)
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n/an/a 460n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373108
PNG
(1-(3-methyl-1- phenyl-1H-pyrazol- 5-yl)-3-(2- phen...)
Show SMILES Cc1cc(NC(=O)Nc2c(nc3ccccn23)-c2ccccc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C24H20N6O/c1-17-16-21(30(28-17)19-12-6-3-7-13-19)26-24(31)27-23-22(18-10-4-2-5-11-18)25-20-14-8-9-15-29(20)23/h2-16H,1H3,(H2,26,27,31)
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n/an/a 520n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373102
PNG
(1-(2-methyl-4- phenylpyrimidin-5- yl)-3-(2-phenyl-...)
Show SMILES Cc1ncc(NC(=O)Nc2c([nH]c3ccccc23)-c2ccccc2)c(n1)-c1ccccc1
Show InChI InChI=1S/C26H21N5O/c1-17-27-16-22(23(28-17)18-10-4-2-5-11-18)30-26(32)31-25-20-14-8-9-15-21(20)29-24(25)19-12-6-3-7-13-19/h2-16,29H,1H3,(H2,30,31,32)
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n/an/a 570n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373087
PNG
(1-(3-methyl-1- phenyl-1H-pyrazol- 5-yl)-3-naphthal...)
Show SMILES Cc1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1ccccc1
Show InChI InChI=1S/C21H18N4O/c1-15-14-20(25(24-15)17-10-3-2-4-11-17)23-21(26)22-19-13-7-9-16-8-5-6-12-18(16)19/h2-14H,1H3,(H2,22,23,26)
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n/an/a 590n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373118
PNG
(1,3-bis(2-methyl-4- phenyl-1,3-thiazol- 5-yl)urea ...)
Show SMILES Cc1nc(c(NC(=O)Nc2sc(C)nc2-c2ccccc2)s1)-c1ccccc1
Show InChI InChI=1S/C21H18N4OS2/c1-13-22-17(15-9-5-3-6-10-15)19(27-13)24-21(26)25-20-18(23-14(2)28-20)16-11-7-4-8-12-16/h3-12H,1-2H3,(H2,24,25,26)
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n/an/a 610n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373124
PNG
(1-(2-methyl-4- phenylpyrimidin-5- yl)-3-{2- [(trif...)
Show SMILES Cc1ncc(NC(=O)NCc2ccccc2SC(F)(F)F)c(n1)-c1ccccc1
Show InChI InChI=1S/C20H17F3N4OS/c1-13-24-12-16(18(26-13)14-7-3-2-4-8-14)27-19(28)25-11-15-9-5-6-10-17(15)29-20(21,22)23/h2-10,12H,11H2,1H3,(H2,25,27,28)
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n/an/a 680n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373114
PNG
(1-(6-chloro-2- phenylimidazo[1,2- b]pyridazin-3-yl...)
Show SMILES Clc1ccc2nc(c(NC(=O)Nc3c(nc4ccccn34)-c3ccccc3)n2n1)-c1ccccc1
Show InChI InChI=1S/C26H18ClN7O/c27-19-14-15-21-29-23(18-11-5-2-6-12-18)25(34(21)32-19)31-26(35)30-24-22(17-9-3-1-4-10-17)28-20-13-7-8-16-33(20)24/h1-16H,(H2,30,31,35)
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n/an/a 1.00E+3n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373115
PNG
(N-methyl-3-{[(2- phenylimidazo[1,2- a]pyridin-3- y...)
Show SMILES CNC(=O)c1nc2ccccn2c1NC(=O)Nc1c(nc2ccccn12)-c1ccccc1
Show InChI InChI=1S/C23H19N7O2/c1-24-22(31)19-21(30-14-8-6-12-17(30)26-19)28-23(32)27-20-18(15-9-3-2-4-10-15)25-16-11-5-7-13-29(16)20/h2-14H,1H3,(H,24,31)(H2,27,28,32)
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n/an/a 1.00E+3n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373095
PNG
(1-(6-methyl-2- phenylpyridin-3-yl)- 3-pyridin-2-yl...)
Show SMILES Cc1ccc(NC(=O)Nc2ccccn2)c(n1)-c1ccccc1
Show InChI InChI=1S/C18H16N4O/c1-13-10-11-15(17(20-13)14-7-3-2-4-8-14)21-18(23)22-16-9-5-6-12-19-16/h2-12H,1H3,(H2,19,21,22,23)
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n/an/a 1.10E+3n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373121
PNG
(1-[5-fluoro-2- (trifluoromethyl) benzyl]-3-(1-phen...)
Show SMILES Fc1ccc(c(CNC(=O)Nc2ccnn2-c2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N4O/c19-13-6-7-15(18(20,21)22)12(10-13)11-23-17(27)25-16-8-9-24-26(16)14-4-2-1-3-5-14/h1-10H,11H2,(H2,23,25,27)
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n/an/a 1.10E+3n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373112
PNG
(1-(2- phenylimidazo[1,2- a]pyridin-3-yl)-3-[2- (1H...)
Show SMILES O=C(Nc1c(nc2ccccn12)-c1ccccc1)Nc1c(nc2ccccn12)-n1cccn1
Show InChI InChI=1S/C24H18N8O/c33-24(29-22-23(32-16-8-13-25-32)27-19-12-5-7-15-31(19)22)28-21-20(17-9-2-1-3-10-17)26-18-11-4-6-14-30(18)21/h1-16H,(H2,28,29,33)
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n/an/a 1.40E+3n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373100
PNG
(1,3-bis(2-methyl-4- phenylpyrimidin-5- yl)urea | U...)
Show SMILES Cc1ncc(NC(=O)Nc2cnc(C)nc2-c2ccccc2)c(n1)-c1ccccc1
Show InChI InChI=1S/C23H20N6O/c1-15-24-13-19(21(26-15)17-9-5-3-6-10-17)28-23(30)29-20-14-25-16(2)27-22(20)18-11-7-4-8-12-18/h3-14H,1-2H3,(H2,28,29,30)
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n/an/a 1.40E+3n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373127
PNG
(1-[5-fluoro-2- (trifluoromethyl) benzyl]-3-(2-meth...)
Show SMILES Cc1ncc(NC(=O)NCc2cc(F)ccc2C(F)(F)F)c(n1)-c1ccccc1
Show InChI InChI=1S/C20H16F4N4O/c1-12-25-11-17(18(27-12)13-5-3-2-4-6-13)28-19(29)26-10-14-9-15(21)7-8-16(14)20(22,23)24/h2-9,11H,10H2,1H3,(H2,26,28,29)
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n/an/a 1.40E+3n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373123
PNG
(1-[4-fluoro-2- (trifluoromethyl) benzyl]-3-(1-phen...)
Show SMILES Fc1ccc(CNC(=O)Nc2ccnn2-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N4O/c19-13-7-6-12(15(10-13)18(20,21)22)11-23-17(27)25-16-8-9-24-26(16)14-4-2-1-3-5-14/h1-10H,11H2,(H2,23,25,27)
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n/an/a 1.40E+3n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373126
PNG
(1-(1-methyl-5- phenyl-1H-pyrazol- 4-yl)-3-[2- (tri...)
Show SMILES Cn1ncc(NC(=O)NCc2ccccc2C(F)(F)F)c1-c1ccccc1
Show InChI InChI=1S/C19H17F3N4O/c1-26-17(13-7-3-2-4-8-13)16(12-24-26)25-18(27)23-11-14-9-5-6-10-15(14)19(20,21)22/h2-10,12H,11H2,1H3,(H2,23,25,27)
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n/an/a 1.40E+3n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373113
PNG
(1-(2- phenylimidazo[1,2- a]pyridin-3-yl)-3-(2- phe...)
Show SMILES O=C(Nc1c(nc2ccccn12)-c1ccccc1)Nc1c(nc2ncccn12)-c1ccccc1
Show InChI InChI=1S/C26H19N7O/c34-26(30-23-21(18-10-3-1-4-11-18)28-20-14-7-8-16-32(20)23)31-24-22(19-12-5-2-6-13-19)29-25-27-15-9-17-33(24)25/h1-17H,(H2,30,31,34)
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n/an/a 1.50E+3n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373131
PNG
(1-(1-methyl-5- phenyl-1H-pyrazol- 4-yl)-3-[2- (tri...)
Show SMILES Cn1ncc(NC(=O)NCc2ccccc2OC(F)(F)F)c1-c1ccccc1
Show InChI InChI=1S/C19H17F3N4O2/c1-26-17(13-7-3-2-4-8-13)15(12-24-26)25-18(27)23-11-14-9-5-6-10-16(14)28-19(20,21)22/h2-10,12H,11H2,1H3,(H2,23,25,27)
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n/an/a 1.60E+3n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373110
PNG
(1-[3-(1-methyl-1H- imidazol-2- yl)phenyl]-3-(2- ph...)
Show SMILES Cn1ccnc1-c1cccc(NC(=O)Nc2c(nc3ccccn23)-c2ccccc2)c1
Show InChI InChI=1S/C24H20N6O/c1-29-15-13-25-22(29)18-10-7-11-19(16-18)26-24(31)28-23-21(17-8-3-2-4-9-17)27-20-12-5-6-14-30(20)23/h2-16H,1H3,(H2,26,28,31)
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n/an/a 1.60E+3n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373093
PNG
(1-(3-methyl-1- phenyl-1H-pyrazol- 5-yl)-3-pyridin-...)
Show SMILES Cc1cc(NC(=O)Nc2ccccn2)n(n1)-c1ccccc1
Show InChI InChI=1S/C16H15N5O/c1-12-11-15(21(20-12)13-7-3-2-4-8-13)19-16(22)18-14-9-5-6-10-17-14/h2-11H,1H3,(H2,17,18,19,22)
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n/an/a 1.80E+3n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373120
PNG
(1-(2-methyl-4- phenyl-1,3-thiazol- 5-yl)-3-(2- phe...)
Show SMILES Cc1nc(c(NC(=O)Nc2cccnc2-c2ccccc2)s1)-c1ccccc1
Show InChI InChI=1S/C22H18N4OS/c1-15-24-20(17-11-6-3-7-12-17)21(28-15)26-22(27)25-18-13-8-14-23-19(18)16-9-4-2-5-10-16/h2-14H,1H3,(H2,25,26,27)
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n/an/a 1.80E+3n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373125
PNG
(1-[(1S)-1- cyclohexylethyl]-3- (2-methyl-4- phenyl...)
Show SMILES C[C@H](NC(=O)Nc1cnc(C)nc1-c1ccccc1)C1CCCCC1 |r|
Show InChI InChI=1S/C20H26N4O/c1-14(16-9-5-3-6-10-16)22-20(25)24-18-13-21-15(2)23-19(18)17-11-7-4-8-12-17/h4,7-8,11-14,16H,3,5-6,9-10H2,1-2H3,(H2,22,24,25)/t14-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373119
PNG
(1-(2-methyl-4- phenylpyrimidin-5- yl)-3-(2-methyl-...)
Show SMILES Cc1nc(c(NC(=O)Nc2cnc(C)nc2-c2ccccc2)s1)-c1ccccc1
Show InChI InChI=1S/C22H19N5OS/c1-14-23-13-18(19(24-14)16-9-5-3-6-10-16)26-22(28)27-21-20(25-15(2)29-21)17-11-7-4-8-12-17/h3-13H,1-2H3,(H2,26,27,28)
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n/an/a 2.30E+3n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373096
PNG
(1-biphenyl-2-yl-3- (2-methyl-4- phenylpyrimidin-5-...)
Show SMILES Cc1ncc(NC(=O)Nc2ccccc2-c2ccccc2)c(n1)-c1ccccc1
Show InChI InChI=1S/C24H20N4O/c1-17-25-16-22(23(26-17)19-12-6-3-7-13-19)28-24(29)27-21-15-9-8-14-20(21)18-10-4-2-5-11-18/h2-16H,1H3,(H2,27,28,29)
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n/an/a 2.30E+3n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373086
PNG
(1,3-bis(3-methyl-1- phenyl-1H-pyrazol- 5-yl)urea |...)
Show SMILES Cc1cc(NC(=O)Nc2cc(C)nn2-c2ccccc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C21H20N6O/c1-15-13-19(26(24-15)17-9-5-3-6-10-17)22-21(28)23-20-14-16(2)25-27(20)18-11-7-4-8-12-18/h3-14H,1-2H3,(H2,22,23,28)
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n/an/a 2.70E+3n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373091
PNG
(1-(4-bromopyridin- 2-yl)-3-(3-methyl-1- phenyl-1H-...)
Show SMILES Cc1cc(NC(=O)Nc2cc(Br)ccn2)n(n1)-c1ccccc1
Show InChI InChI=1S/C16H14BrN5O/c1-11-9-15(22(21-11)13-5-3-2-4-6-13)20-16(23)19-14-10-12(17)7-8-18-14/h2-10H,1H3,(H2,18,19,20,23)
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n/an/a 3.00E+3n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373094
PNG
(1-(5- methoxypyridin-2- yl)-3-(3-methyl-1- phenyl-...)
Show SMILES COc1ccc(NC(=O)Nc2cc(C)nn2-c2ccccc2)nc1
Show InChI InChI=1S/C17H17N5O2/c1-12-10-16(22(21-12)13-6-4-3-5-7-13)20-17(23)19-15-9-8-14(24-2)11-18-15/h3-11H,1-2H3,(H2,18,19,20,23)
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n/an/a 3.40E+3n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373116
PNG
(1-(1-methyl-4- phenyl-1H-imidazol- 5-yl)-3-(2-meth...)
Show SMILES Cc1nc(c(NC(=O)Nc2c(ncn2C)-c2ccccc2)s1)-c1ccccc1
Show InChI InChI=1S/C21H19N5OS/c1-14-23-18(16-11-7-4-8-12-16)20(28-14)25-21(27)24-19-17(22-13-26(19)2)15-9-5-3-6-10-15/h3-13H,1-2H3,(H2,24,25,27)
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n/an/a 4.00E+3n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373103
PNG
(1-(2-methyl-4- phenylpyrimidin-5- yl)-3-pyridin-2-...)
Show SMILES Cc1ncc(NC(=O)Nc2ccccn2)c(n1)-c1ccccc1
Show InChI InChI=1S/C17H15N5O/c1-12-19-11-14(16(20-12)13-7-3-2-4-8-13)21-17(23)22-15-9-5-6-10-18-15/h2-11H,1H3,(H2,18,21,22,23)
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n/an/a 4.00E+3n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373117
PNG
(1-(1,2-dimethyl-4- phenyl-1H-imidazol- 5-yl)-3-(2-...)
Show SMILES Cc1nc(c(NC(=O)Nc2c(nc(C)n2C)-c2ccccc2)s1)-c1ccccc1
Show InChI InChI=1S/C22H21N5OS/c1-14-23-18(16-10-6-4-7-11-16)20(27(14)3)25-22(28)26-21-19(24-15(2)29-21)17-12-8-5-9-13-17/h4-13H,1-3H3,(H2,25,26,28)
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n/an/a 4.10E+3n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373098
PNG
(1-(2-methyl-4- phenylpyrimidin-5- yl)-3-naphthalen...)
Show SMILES Cc1ncc(NC(=O)Nc2cccc3ccccc23)c(n1)-c1ccccc1
Show InChI InChI=1S/C22H18N4O/c1-15-23-14-20(21(24-15)17-9-3-2-4-10-17)26-22(27)25-19-13-7-11-16-8-5-6-12-18(16)19/h2-14H,1H3,(H2,25,26,27)
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n/an/a 4.10E+3n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373105
PNG
(1-[2-chloro-4- (trifluoromethyl) phenyl]-3-(2- phe...)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2c(nc3ccccn23)-c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C21H14ClF3N4O/c22-15-12-14(21(23,24)25)9-10-16(15)26-20(30)28-19-18(13-6-2-1-3-7-13)27-17-8-4-5-11-29(17)19/h1-12H,(H2,26,28,30)
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n/an/a 4.20E+3n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373106
PNG
(1-(2- phenylimidazo[1,2- a]pyridin-3-yl)-3-[4- (tr...)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2c(nc3ccccn23)-c2ccccc2)cc1
Show InChI InChI=1S/C21H15F3N4O/c22-21(23,24)15-9-11-16(12-10-15)25-20(29)27-19-18(14-6-2-1-3-7-14)26-17-8-4-5-13-28(17)19/h1-13H,(H2,25,27,29)
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n/an/a 4.30E+3n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373088
PNG
(1-(6-bromopyridin- 2-yl)-3-(3-methyl-1- phenyl-1H-...)
Show SMILES Cc1cc(NC(=O)Nc2cccc(Br)n2)n(n1)-c1ccccc1
Show InChI InChI=1S/C16H14BrN5O/c1-11-10-15(22(21-11)12-6-3-2-4-7-12)20-16(23)19-14-9-5-8-13(17)18-14/h2-10H,1H3,(H2,18,19,20,23)
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n/an/a 4.80E+3n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM373090
PNG
(1-(2,3- dimethylphenyl)-3- (3-methyl-1-phenyl- 1H-...)
Show SMILES Cc1cc(NC(=O)Nc2cccc(C)c2C)n(n1)-c1ccccc1
Show InChI InChI=1S/C19H20N4O/c1-13-8-7-11-17(15(13)3)20-19(24)21-18-12-14(2)22-23(18)16-9-5-4-6-10-16/h4-12H,1-3H3,(H2,20,21,24)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
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n/an/a 4.80E+3n/an/an/an/an/an/a



IRBM-MRL



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the we...

J Med Chem 51: 861-74 (2008)


BindingDB Entry DOI: 10.7270/Q26975VH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%