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USPatent US9914736

Compile data set for download or QSAR
Found 114 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))		BDBM376040
PNG
(2-chloro-5-(1-methyl-1H- pyrazol-3-yl)-N-(1-phenyl...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cc(nn2-c2ccccc2)-c2ccncc2)c(Cl)cc1C(F)(F)F
Show InChI InChI=1S/C26H18ClF3N6O/c1-35-12-9-22(33-35)18-13-19(21(27)14-20(18)26(28,29)30)25(37)32-24-15-23(16-7-10-31-11-8-16)34-36(24)17-5-3-2-4-6-17/h2-15H,1H3,(H,32,37)
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US Patent
n/an/a 0.370n/an/an/an/an/an/a



University of Namur



Assay Description
 In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376080
PNG
(5-({[2-fluoro-5-(1-methyl-1H- pyrazol-3-yl)-4- (tr...)
Show SMILES Cc1cc([nH]n1)-n1nc(cc1NC(=O)c1cc(-c2ccn(C)n2)c(cc1F)C(F)(F)F)C(=O)NCc1cccnc1
Show InChI InChI=1S/C26H21F4N9O2/c1-14-8-23(35-34-14)39-22(11-21(37-39)25(41)32-13-15-4-3-6-31-12-15)33-24(40)17-9-16(20-5-7-38(2)36-20)18(10-19(17)27)26(28,29)30/h3-12H,13H2,1-2H3,(H,32,41)(H,33,40)(H,34,35)
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n/an/a 0.390n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376106
PNG
(2-fluoro-N-(1-(4- fluorophenyl)-3-((1-methyl- 1H-t...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cc(Cc3nnnn3C)nn2-c2ccc(F)cc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C24H18F5N9O/c1-36-8-7-20(33-36)16-11-17(19(26)12-18(16)24(27,28)29)23(39)30-21-9-14(10-22-31-34-35-37(22)2)32-38(21)15-5-3-13(25)4-6-15/h3-9,11-12H,10H2,1-2H3,(H,30,39)
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n/an/a 0.400n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376085
PNG
(N-[3-(4-carbamoylphenyl)-1- (4-fluorophenyl)-1H-py...)
Show SMILES NC(=O)c1ccc(cc1)-c1cc(NC(=O)c2cc(-c3ncccn3)c(cc2F)C(F)(F)F)n(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H17F5N6O2/c29-17-6-8-18(9-7-17)39-24(14-23(38-39)15-2-4-16(5-3-15)25(34)40)37-27(41)20-12-19(26-35-10-1-11-36-26)21(13-22(20)30)28(31,32)33/h1-14H,(H2,34,40)(H,37,41)
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n/an/a 0.760n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376063
PNG
(2-chloro-5-(1-methyl-1H- pyrazol-3-yl)-N-{3-[(1- m...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cc(Cc3nnnn3C)nn2-c2ccccc2)c(Cl)cc1C(F)(F)F
Show InChI InChI=1S/C24H19ClF3N9O/c1-35-9-8-20(32-35)16-12-17(19(25)13-18(16)24(26,27)28)23(38)29-21-10-14(11-22-30-33-34-36(22)2)31-37(21)15-6-4-3-5-7-15/h3-10,12-13H,11H2,1-2H3,(H,29,38)
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n/an/a 0.780n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376052
PNG
(2-chloro-N-(3,5'-dimethyl-1'H- 1,3'-bipyrazol-5-yl...)
Show SMILES Cc1cc(NC(=O)c2cc(-c3ccn(C)n3)c(cc2Cl)C(F)(F)F)n(n1)-c1cc(C)[nH]n1
Show InChI InChI=1S/C20H17ClF3N7O/c1-10-6-18(27-26-10)31-17(7-11(2)28-31)25-19(32)13-8-12(16-4-5-30(3)29-16)14(9-15(13)21)20(22,23)24/h4-9H,1-3H3,(H,25,32)(H,26,27)
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n/an/a 0.820n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376009
PNG
(N-(1$#8243;,5-dimethyl-1H,1$#8243;H- 3,1':3',4$#82...)
Show SMILES Cc1csc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1cc(nn1-c1cc(C)[nH]n1)-c1cnn(C)c1
Show InChI InChI=1S/C23H19F3N8OS/c1-12-6-20(31-30-12)34-19(8-18(32-34)15-9-27-33(3)10-15)29-21(35)14-4-5-17(23(24,25)26)16(7-14)22-28-13(2)11-36-22/h4-11H,1-3H3,(H,29,35)(H,30,31)
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n/an/a 0.850n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376109
PNG
(2-fluoro-N-(1-(4- fluorophenyl)-3-((6-oxo-1,6- dih...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cc(Cc3ccc(=O)[nH]n3)nn2-c2ccc(F)cc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C26H18F5N7O2/c1-37-9-8-22(36-37)18-12-19(21(28)13-20(18)26(29,30)31)25(40)32-23-11-16(10-15-4-7-24(39)34-33-15)35-38(23)17-5-2-14(27)3-6-17/h2-9,11-13H,10H2,1H3,(H,32,40)(H,34,39)
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n/an/a 0.980n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376111
PNG
((S or R)-2-fluoro-N-(1-(4- fluorophenyl)-3-(5-(1- ...)
Show SMILES CC(O)c1cnc(nc1)-c1cc(NC(=O)c2cc(-c3ccn(C)n3)c(cc2F)C(F)(F)F)n(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H20F5N7O2/c1-14(40)15-12-33-25(34-13-15)23-11-24(39(37-23)17-5-3-16(28)4-6-17)35-26(41)19-9-18(22-7-8-38(2)36-22)20(10-21(19)29)27(30,31)32/h3-14,40H,1-2H3,(H,35,41)
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n/an/a 1n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376089
PNG
(2-fluoro-N-(1-(4- fluorophenyl)-3-((2-methyl- 2H-t...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cc(Cc3nnn(C)n3)nn2-c2ccc(F)cc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C24H18F5N9O/c1-36-8-7-20(33-36)16-11-17(19(26)12-18(16)24(27,28)29)23(39)30-22-10-14(9-21-31-35-37(2)34-21)32-38(22)15-5-3-13(25)4-6-15/h3-8,10-12H,9H2,1-2H3,(H,30,39)
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n/an/a 1.20n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376096
PNG
(N-(3-((5-amino-1,3,4- oxadiazol-2-yl)methyl)-1-(4-...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1cc(Cc2nnc(N)o2)nn1-c1ccc(F)cc1
Show InChI InChI=1S/C24H18F4N8O2/c1-35-9-8-19(34-35)17-10-13(2-7-18(17)24(26,27)28)22(37)30-20-11-15(12-21-31-32-23(29)38-21)33-36(20)16-5-3-14(25)4-6-16/h2-11H,12H2,1H3,(H2,29,32)(H,30,37)
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n/an/a 1.30n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376099
PNG
(N-(1-(4-fluorophenyl)-3- (pyrimidin-5-ylmethyl)-1H...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1cc(Cc2cncnc2)nn1-c1ccc(F)cc1
Show InChI InChI=1S/C26H19F4N7O/c1-36-9-8-23(35-36)21-11-17(2-7-22(21)26(28,29)30)25(38)33-24-12-19(10-16-13-31-15-32-14-16)34-37(24)20-5-3-18(27)4-6-20/h2-9,11-15H,10H2,1H3,(H,33,38)
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n/an/a 1.40n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376059
PNG
(2-chloro-5-(1-methyl-1H- pyrazol-3-yl)-N-[3-(6-oxo...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cc(nn2-c2ccccc2)-c2ccc(=O)[nH]n2)c(Cl)cc1C(F)(F)F
Show InChI InChI=1S/C25H17ClF3N7O2/c1-35-10-9-19(33-35)15-11-16(18(26)12-17(15)25(27,28)29)24(38)30-22-13-21(20-7-8-23(37)32-31-20)34-36(22)14-5-3-2-4-6-14/h2-13H,1H3,(H,30,38)(H,32,37)
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n/an/a 1.60n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376087
PNG
(5'-methyl-5-(3-(1-methyl-1H- pyrazol-3-yl)-4- (tri...)
Show SMILES Cc1cc([nH]n1)-n1nc(cc1NC(=O)c1ccc(c(c1)-c1ccn(C)n1)C(F)(F)F)C(=O)NCc1cncnc1
Show InChI InChI=1S/C25H21F3N10O2/c1-14-7-22(34-33-14)38-21(9-20(36-38)24(40)31-12-15-10-29-13-30-11-15)32-23(39)16-3-4-18(25(26,27)28)17(8-16)19-5-6-37(2)35-19/h3-11,13H,12H2,1-2H3,(H,31,40)(H,32,39)(H,33,34)
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n/an/a 1.60n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376108
PNG
(2-fluoro-N-(1-(4- fluorophenyl)-3-((1-methyl- 1H-t...)
Show SMILES Cn1nnnc1Cc1cc(NC(=O)c2cc(-c3ncccn3)c(cc2F)C(F)(F)F)n(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H16F5N9O/c1-37-21(33-35-36-37)10-14-9-20(38(34-14)15-5-3-13(25)4-6-15)32-23(39)17-11-16(22-30-7-2-8-31-22)18(12-19(17)26)24(27,28)29/h2-9,11-12H,10H2,1H3,(H,32,39)
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n/an/a 1.60n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376082
PNG
(N-[1-(4-fluorophenyl)-3-({2- [2-(methylamino)-2-ox...)
Show SMILES CNC(=O)Cn1nnc(Cc2cc(NC(=O)c3ccc(c(c3)-c3ccn(C)n3)C(F)(F)F)n(n2)-c2ccc(F)cc2)n1
Show InChI InChI=1S/C26H22F4N10O2/c1-31-24(41)14-39-36-22(33-37-39)12-17-13-23(40(34-17)18-6-4-16(27)5-7-18)32-25(42)15-3-8-20(26(28,29)30)19(11-15)21-9-10-38(2)35-21/h3-11,13H,12,14H2,1-2H3,(H,31,41)(H,32,42)
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n/an/a 1.60n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376010
PNG
(N-(5'-methyl-3-pyridin-2-yl- 1'H-1,3'-bipyrazol-5-...)
Show SMILES Cc1csc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1cc(nn1-c1cc(C)[nH]n1)-c1ccccn1
Show InChI InChI=1S/C24H18F3N7OS/c1-13-9-21(32-31-13)34-20(11-19(33-34)18-5-3-4-8-28-18)30-22(35)15-6-7-17(24(25,26)27)16(10-15)23-29-14(2)12-36-23/h3-12H,1-2H3,(H,30,35)(H,31,32)
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n/an/a 1.70n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376098
PNG
(N-(3-((5-aminopyrazin-2- yl)methyl)-1-(4-fluorophe...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1cc(Cc2cnc(N)cn2)nn1-c1ccc(F)cc1
Show InChI InChI=1S/C26H20F4N8O/c1-37-9-8-22(36-37)20-10-15(2-7-21(20)26(28,29)30)25(39)34-24-12-17(11-18-13-33-23(31)14-32-18)35-38(24)19-5-3-16(27)4-6-19/h2-10,12-14H,11H2,1H3,(H2,31,33)(H,34,39)
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n/an/a 1.70n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376029
PNG
(N-(isothiazol-5-ylmethyl)-5'- methyl-5-({[3-(1-met...)
Show SMILES Cc1cc([nH]n1)-n1nc(cc1NC(=O)c1ccc(c(c1)-c1ccn(C)n1)C(F)(F)F)C(=O)NCc1ccns1
Show InChI InChI=1S/C24H20F3N9O2S/c1-13-9-21(32-31-13)36-20(11-19(34-36)23(38)28-12-15-5-7-29-39-15)30-22(37)14-3-4-17(24(25,26)27)16(10-14)18-6-8-35(2)33-18/h3-11H,12H2,1-2H3,(H,28,38)(H,30,37)(H,31,32)
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n/an/a 1.70n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376063
PNG
(2-chloro-5-(1-methyl-1H- pyrazol-3-yl)-N-{3-[(1- m...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cc(Cc3nnnn3C)nn2-c2ccccc2)c(Cl)cc1C(F)(F)F
Show InChI InChI=1S/C24H19ClF3N9O/c1-35-9-8-20(32-35)16-12-17(19(25)13-18(16)24(26,27)28)23(38)29-21-10-14(11-22-30-33-34-36(22)2)31-37(21)15-6-4-3-5-7-15/h3-10,12-13H,11H2,1-2H3,(H,29,38)
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n/an/a 1.70n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376116
PNG
(N-(3-((2,5-dioxoimidazolidin- 1-yl)methyl)-1-(4- f...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cc(CN3C(=O)CNC3=O)nn2-c2ccc(F)cc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C25H18F5N7O3/c1-35-7-6-20(34-35)16-9-17(19(27)10-18(16)25(28,29)30)23(39)32-21-8-14(12-36-22(38)11-31-24(36)40)33-37(21)15-4-2-13(26)3-5-15/h2-10H,11-12H2,1H3,(H,31,40)(H,32,39)
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n/an/a 1.90n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376070
PNG
(3-(1-methyl-1H-pyrazol-3-yl)- N-[1-phenyl-3-(1H-te...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1cc(Cn2cnnn2)nn1-c1ccccc1
Show InChI InChI=1S/C23H18F3N9O/c1-33-10-9-20(30-33)18-11-15(7-8-19(18)23(24,25)26)22(36)28-21-12-16(13-34-14-27-31-32-34)29-35(21)17-5-3-2-4-6-17/h2-12,14H,13H2,1H3,(H,28,36)
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n/an/a 2.30n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376115
PNG
(N-(3-(2-amino-2-oxoethyl)-1- (4-fluorophenyl)-1H-p...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cc(CC(O)=O)nn2-c2ccc(F)cc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C23H16F5N5O3/c1-32-7-6-19(31-32)15-10-16(18(25)11-17(15)23(26,27)28)22(36)29-20-8-13(9-21(34)35)30-33(20)14-4-2-12(24)3-5-14/h2-8,10-11H,9H2,1H3,(H,29,36)(H,34,35)
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n/an/a 2.40n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376107
PNG
(N-(3-(3- (aminomethyl)phenyl)-1-(4- fluorophenyl)-...)
Show SMILES NCc1cccc(c1)-c1cc(NC(=O)c2cc(-c3ncccn3)c(cc2F)C(F)(F)F)n(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H19F5N6O/c29-18-5-7-19(8-6-18)39-25(14-24(38-39)17-4-1-3-16(11-17)15-34)37-27(40)21-12-20(26-35-9-2-10-36-26)22(13-23(21)30)28(31,32)33/h1-14H,15,34H2,(H,37,40)
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n/an/a 2.40n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376118
PNG
(2-fluoro-N-(1-(4- fluorophenyl)-3-(2- (methylamino...)
Show SMILES CNC(=O)Cc1cc(NC(=O)c2cc(-c3ccn(C)n3)c(cc2F)C(F)(F)F)n(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H19F5N6O2/c1-30-22(36)10-14-9-21(35(32-14)15-5-3-13(25)4-6-15)31-23(37)17-11-16(20-7-8-34(2)33-20)18(12-19(17)26)24(27,28)29/h3-9,11-12H,10H2,1-2H3,(H,30,36)(H,31,37)
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n/an/a 2.40n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376025
PNG
(4-chloro-3-(4-methyl-1,3- thiazol-2-yl)-N-(1-pheny...)
Show SMILES Cc1csc(n1)-c1cc(ccc1Cl)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccncc1
Show InChI InChI=1S/C25H18ClN5OS/c1-16-15-33-25(28-16)20-13-18(7-8-21(20)26)24(32)29-23-14-22(17-9-11-27-12-10-17)30-31(23)19-5-3-2-4-6-19/h2-15H,1H3,(H,29,32)
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n/an/a 2.70n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376043
PNG
(2-chloro-N-(1-phenyl-3- pyridin-4-yl-1H-pyrazol-5-...)
Show SMILES FC(F)(F)c1cc(Cl)c(cc1-c1cc[nH]n1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccncc1
Show InChI InChI=1S/C25H16ClF3N6O/c26-20-13-19(25(27,28)29)17(21-8-11-31-33-21)12-18(20)24(36)32-23-14-22(15-6-9-30-10-7-15)34-35(23)16-4-2-1-3-5-16/h1-14H,(H,31,33)(H,32,36)
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n/an/a 2.90n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376055
PNG
(N-[3-(hydroxymethyl)-5'- methyl-2'H-1,3'-bipyrazol...)
Show SMILES Cc1cc([nH]n1)-n1nc(CO)cc1NC(=O)c1ccc(c(c1)-c1ccn(C)n1)C(F)(F)F
Show InChI InChI=1S/C20H18F3N7O2/c1-11-7-18(26-25-11)30-17(9-13(10-31)27-30)24-19(32)12-3-4-15(20(21,22)23)14(8-12)16-5-6-29(2)28-16/h3-9,31H,10H2,1-2H3,(H,24,32)(H,25,26)
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n/an/a 2.90n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376064
PNG
(N-[1-(4-fluorophenyl)-3- pyrimidin-2-yl-1H-pyrazol...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1cc(nn1-c1ccc(F)cc1)-c1ncccn1
Show InChI InChI=1S/C25H17F4N7O/c1-35-12-9-20(33-35)18-13-15(3-8-19(18)25(27,28)29)24(37)32-22-14-21(23-30-10-2-11-31-23)34-36(22)17-6-4-16(26)5-7-17/h2-14H,1H3,(H,32,37)
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n/an/a 3n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376065
PNG
(3-(4-methyl-1,3-oxazol-2-yl)- N-(5-methyl-1H,1$#82...)
Show SMILES Cc1coc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1cc(nn1-c1cc(C)[nH]n1)-c1cn[nH]c1
Show InChI InChI=1S/C22H17F3N8O2/c1-11-5-19(31-30-11)33-18(7-17(32-33)14-8-26-27-9-14)29-20(34)13-3-4-16(22(23,24)25)15(6-13)21-28-12(2)10-35-21/h3-10H,1-2H3,(H,26,27)(H,29,34)(H,30,31)
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n/an/a 3.10n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376044
PNG
(4-chloro-3-(1-methyl-1H- pyrazol-3-yl)-N-[3-pyridi...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1Cl)C(=O)Nc1cc(nn1-c1cc(n[nH]1)C(F)(F)F)-c1ccncc1
Show InChI InChI=1S/C23H16ClF3N8O/c1-34-9-6-17(32-34)15-10-14(2-3-16(15)24)22(36)29-20-11-18(13-4-7-28-8-5-13)33-35(20)21-12-19(30-31-21)23(25,26)27/h2-12H,1H3,(H,29,36)(H,30,31)
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n/an/a 3.20n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376062
PNG
(2-chloro-5-(1-methyl-1H- pyrazol-3-yl)-N-{3-[(2- m...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cc(Cc3nnn(C)n3)nn2-c2ccccc2)c(Cl)cc1C(F)(F)F
Show InChI InChI=1S/C24H19ClF3N9O/c1-35-9-8-20(32-35)16-12-17(19(25)13-18(16)24(26,27)28)23(38)29-22-11-14(10-21-30-34-36(2)33-21)31-37(22)15-6-4-3-5-7-15/h3-9,11-13H,10H2,1-2H3,(H,29,38)
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n/an/a 3.40n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376105
PNG
(2-fluoro-N-(1-(4- fluorophenyl)-3-(4-(2- hydroxyet...)
Show SMILES OCCc1ccc(cc1)-c1cc(NC(=O)c2cc(-c3ncccn3)c(cc2F)C(F)(F)F)n(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H20F5N5O2/c30-19-6-8-20(9-7-19)39-26(16-25(38-39)18-4-2-17(3-5-18)10-13-40)37-28(41)22-14-21(27-35-11-1-12-36-27)23(15-24(22)31)29(32,33)34/h1-9,11-12,14-16,40H,10,13H2,(H,37,41)
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n/an/a 3.40n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376094
PNG
(N-(1-(4-fluorophenyl)-3-((1- methyl-1H-pyrazol-4- ...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1cc(Cc2cnn(C)c2)nn1-c1ccc(F)cc1
Show InChI InChI=1S/C26H21F4N7O/c1-35-10-9-23(34-35)21-12-17(3-8-22(21)26(28,29)30)25(38)32-24-13-19(11-16-14-31-36(2)15-16)33-37(24)20-6-4-18(27)5-7-20/h3-10,12-15H,11H2,1-2H3,(H,32,38)
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n/an/a 3.60n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376071
PNG
(3-(1-methyl-1H-pyrazol-3-yl)- N-[1-phenyl-3-(2H-te...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1cc(Cn2ncnn2)nn1-c1ccccc1
Show InChI InChI=1S/C23H18F3N9O/c1-33-10-9-20(31-33)18-11-15(7-8-19(18)23(24,25)26)22(36)29-21-12-16(13-34-28-14-27-32-34)30-35(21)17-5-3-2-4-6-17/h2-12,14H,13H2,1H3,(H,29,36)
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n/an/a 3.70n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376100
PNG
(N-(3-((1H-pyrazol-3- yl)methyl)-1-(4-fluorophenyl)...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1cc(Cc2cc[nH]n2)nn1-c1ccc(F)cc1
Show InChI InChI=1S/C25H19F4N7O/c1-35-11-9-22(34-35)20-12-15(2-7-21(20)25(27,28)29)24(37)31-23-14-18(13-17-8-10-30-32-17)33-36(23)19-5-3-16(26)4-6-19/h2-12,14H,13H2,1H3,(H,30,32)(H,31,37)
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n/an/a 3.70n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376102
PNG
(N-(1-(4-fluorophenyl)-3-((2- oxo-1,2-dihydropyridi...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1cc(Cc2ccc[nH]c2=O)nn1-c1ccc(F)cc1
Show InChI InChI=1S/C27H20F4N6O2/c1-36-12-10-23(35-36)21-14-17(4-9-22(21)27(29,30)31)26(39)33-24-15-19(13-16-3-2-11-32-25(16)38)34-37(24)20-7-5-18(28)6-8-20/h2-12,14-15H,13H2,1H3,(H,32,38)(H,33,39)
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n/an/a 3.80n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376069
PNG
(2-fluoro-N-(1-methyl-3- phenyl-1H-pyrazol-4-yl)-5-...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cn(C)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C22H17F4N5O/c1-30-9-8-18(28-30)14-10-15(17(23)11-16(14)22(24,25)26)21(32)27-19-12-31(2)29-20(19)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,27,32)
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n/an/a 4.5n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376112
PNG
(2-fluoro-5-(1-methyl-1H- pyrazol-3-yl)-N-(6-oxo-2-...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2c3CNC(=O)Cc3nn2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C24H18F4N6O2/c1-33-8-7-19(31-33)14-9-15(18(25)10-17(14)24(26,27)28)23(36)30-22-16-12-29-21(35)11-20(16)32-34(22)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,29,35)(H,30,36)
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n/an/a 4.60n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376093
PNG
(2-fluoro-N-(1-(4- fluorophenyl)-3-((5-oxo-4,5- dih...)
Show SMILES Fc1ccc(cc1)-n1nc(Cc2n[nH]c(=O)s2)cc1NC(=O)c1cc(-c2ncccn2)c(cc1F)C(F)(F)F
Show InChI InChI=1S/C24H14F5N7O2S/c25-12-2-4-14(5-3-12)36-19(8-13(35-36)9-20-33-34-23(38)39-20)32-22(37)16-10-15(21-30-6-1-7-31-21)17(11-18(16)26)24(27,28)29/h1-8,10-11H,9H2,(H,32,37)(H,34,38)
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n/an/a 4.80n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376088
PNG
(2-(5-(2-fluoro-5-(pyrimidin-2- yl)-4- (trifluorome...)
Show SMILES NC(=O)c1ccnc(n1)-c1cc(NC(=O)c2cc(-c3ncccn3)c(cc2F)C(F)(F)F)n(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H15F5N8O2/c27-13-2-4-14(5-3-13)39-21(12-20(38-39)24-35-9-6-19(36-24)22(32)40)37-25(41)16-10-15(23-33-7-1-8-34-23)17(11-18(16)28)26(29,30)31/h1-12H,(H2,32,40)(H,37,41)
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n/an/a 4.90n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376007
PNG
(N-(3-methyl-1-phenyl-1H- pyrazol-5-yl)-3-(4-methyl...)
Show SMILES Cc1csc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1cc(C)nn1-c1ccccc1
Show InChI InChI=1S/C22H17F3N4OS/c1-13-10-19(29(28-13)16-6-4-3-5-7-16)27-20(30)15-8-9-18(22(23,24)25)17(11-15)21-26-14(2)12-31-21/h3-12H,1-2H3,(H,27,30)
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n/an/a 5.40n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376015
PNG
(3-(1-methyl-1H-pyrazol-3-yl)- N-[3-(6-oxo-1,6- dih...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccc(=O)[nH]n1
Show InChI InChI=1S/C25H18F3N7O2/c1-34-12-11-19(32-34)17-13-15(7-8-18(17)25(26,27)28)24(37)29-22-14-21(20-9-10-23(36)31-30-20)33-35(22)16-5-3-2-4-6-16/h2-14H,1H3,(H,29,37)(H,31,36)
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n/an/a 5.5n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376034
PNG
(N-[1-(4-fluorophenyl)-3- pyridin-4-yl-1H-pyrazol-5...)
Show SMILES Cc1cccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1cc(nn1-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C28H19F4N5O/c1-17-3-2-4-24(34-17)22-15-19(5-10-23(22)28(30,31)32)27(38)35-26-16-25(18-11-13-33-14-12-18)36-37(26)21-8-6-20(29)7-9-21/h2-16H,1H3,(H,35,38)
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n/an/a 5.5n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376026
PNG
(N-{5'-methyl-3-[2-oxo-2- (pyridin-2-ylamino)ethyl]...)
Show SMILES Cc1cc([nH]n1)-n1nc(CC(=O)Nc2ccccn2)cc1NC(=O)c1ccc(c(c1)-c1ccn(C)n1)C(F)(F)F
Show InChI InChI=1S/C26H22F3N9O2/c1-15-11-23(34-33-15)38-22(13-17(35-38)14-24(39)31-21-5-3-4-9-30-21)32-25(40)16-6-7-19(26(27,28)29)18(12-16)20-8-10-37(2)36-20/h3-13H,14H2,1-2H3,(H,32,40)(H,33,34)(H,30,31,39)
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n/an/a 5.60n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376054
PNG
(1-methyl-5-({[3-(1-methyl- 1H-pyrazol-3-yl)-4- (tr...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1c(nc(C(N)=O)n1C)-c1ccccc1
Show InChI InChI=1S/C23H19F3N6O2/c1-31-11-10-17(30-31)15-12-14(8-9-16(15)23(24,25)26)22(34)29-20-18(13-6-4-3-5-7-13)28-21(19(27)33)32(20)2/h3-12H,1-2H3,(H2,27,33)(H,29,34)
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n/an/a 5.70n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376053
PNG
(2-chloro-5-(1-methyl-1H- pyrazol-3-yl)-N-(5-phenyl...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cn[nH]c2-c2ccccc2)c(Cl)cc1C(F)(F)F
Show InChI InChI=1S/C21H15ClF3N5O/c1-30-8-7-17(29-30)13-9-14(16(22)10-15(13)21(23,24)25)20(31)27-18-11-26-28-19(18)12-5-3-2-4-6-12/h2-11H,1H3,(H,26,28)(H,27,31)
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n/an/a 5.80n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376036
PNG
(N-(2-methyl-4-phenyl-1,3- thiazol-5-yl)-3-(1-methy...)
Show SMILES Cc1nc(c(NC(=O)c2ccc(c(c2)-c2ccn(C)n2)C(F)(F)F)s1)-c1ccccc1
Show InChI InChI=1S/C22H17F3N4OS/c1-13-26-19(14-6-4-3-5-7-14)21(31-13)27-20(30)15-8-9-17(22(23,24)25)16(12-15)18-10-11-29(2)28-18/h3-12H,1-2H3,(H,27,30)
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n/an/a 6n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376095
PNG
(N-(3-((2-aminopyrimidin-5- yl)methyl)-1-(4-fluorop...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1cc(Cc2cnc(N)nc2)nn1-c1ccc(F)cc1
Show InChI InChI=1S/C26H20F4N8O/c1-37-9-8-22(36-37)20-11-16(2-7-21(20)26(28,29)30)24(39)34-23-12-18(10-15-13-32-25(31)33-14-15)35-38(23)19-5-3-17(27)4-6-19/h2-9,11-14H,10H2,1H3,(H,34,39)(H2,31,32,33)
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n/an/a 6.10n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376032
PNG
(3-(1-methyl-1H-pyrazol-3-yl)- N-{3-[(6-oxo-1,6- di...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1cc(Cc2ccc(=O)[nH]n2)nn1-c1ccccc1
Show InChI InChI=1S/C26H20F3N7O2/c1-35-12-11-22(34-35)20-13-16(7-9-21(20)26(27,28)29)25(38)30-23-15-18(14-17-8-10-24(37)32-31-17)33-36(23)19-5-3-2-4-6-19/h2-13,15H,14H2,1H3,(H,30,38)(H,32,37)
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n/an/a 6.60n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376091
PNG
(N-(3-((1H-pyrazol-1- yl)methyl)-1-(4-fluorophenyl)...)
Show SMILES Fc1ccc(cc1)-n1nc(Cn2cccn2)cc1NC(=O)c1cc(-c2ncccn2)c(cc1F)C(F)(F)F
Show InChI InChI=1S/C25H16F5N7O/c26-15-3-5-17(6-4-15)37-22(11-16(35-37)14-36-10-2-9-33-36)34-24(38)19-12-18(23-31-7-1-8-32-23)20(13-21(19)27)25(28,29)30/h1-13H,14H2,(H,34,38)
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n/an/a 6.60n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376110
PNG
(2-fluoro-N-(2-(1-(2- hydroxyethyl)-1H-pyrazol-4- y...)
Show SMILES OCCn1cc(cn1)-c1nc(c(NC(=O)c2cc(-c3ncccn3)c(cc2F)C(F)(F)F)s1)-c1ccccc1
Show InChI InChI=1S/C26H18F4N6O2S/c27-20-12-19(26(28,29)30)17(22-31-7-4-8-32-22)11-18(20)23(38)35-25-21(15-5-2-1-3-6-15)34-24(39-25)16-13-33-36(14-16)9-10-37/h1-8,11-14,37H,9-10H2,(H,35,38)
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n/an/a 6.70n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376114
PNG
((5-(2-fluoro-5-(pyrimidin-2- yl)-4- (trifluorometh...)
Show SMILES NC(=O)OCc1cc(NC(=O)c2cc(c(cc2F)C(F)(F)F)-c2ncccn2)n(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H15F5N6O3/c24-12-2-4-14(5-3-12)34-19(8-13(33-34)11-37-22(29)36)32-21(35)16-9-15(20-30-6-1-7-31-20)17(10-18(16)25)23(26,27)28/h1-10H,11H2,(H2,29,36)(H,32,35)
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n/an/a 7n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376049
PNG
(2-chloro-5-(1-methyl-1H- pyrazol-3-yl)-N-(4-phenyl...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2[nH]ncc2-c2ccccc2)c(Cl)cc1C(F)(F)F
Show InChI InChI=1S/C21H15ClF3N5O/c1-30-8-7-18(29-30)13-9-14(17(22)10-16(13)21(23,24)25)20(31)27-19-15(11-26-28-19)12-5-3-2-4-6-12/h2-11H,1H3,(H2,26,27,28,31)
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n/an/a 7n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376090
PNG
(5-(2-fluoro-5-(pyrimidin-2-yl)- 4- (trifluoromethy...)
Show SMILES CNC(=O)c1cc(NC(=O)c2cc(-c3ncccn3)c(cc2F)C(F)(F)F)n(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H15F5N6O2/c1-29-22(36)18-11-19(34(33-18)13-5-3-12(24)4-6-13)32-21(35)15-9-14(20-30-7-2-8-31-20)16(10-17(15)25)23(26,27)28/h2-11H,1H3,(H,29,36)(H,32,35)
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n/an/a 7n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376067
PNG
(N-(1,2-dimethyl-4-phenyl-1H- imidazol-5-yl)-2-fluo...)
Show SMILES CC1C(C)=NC(=C1NC(=O)c1cc(-c2ccn(C)n2)c(cc1F)C(F)(F)F)c1ccccc1 |c:3,5|
Show InChI InChI=1S/C24H20F4N4O/c1-13-14(2)29-22(15-7-5-4-6-8-15)21(13)30-23(33)17-11-16(20-9-10-32(3)31-20)18(12-19(17)25)24(26,27)28/h4-13H,1-3H3,(H,30,33)
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n/an/a 8.40n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376013
PNG
(N-[1-(3,4-difluorophenyl)-3- pyridin-4-yl-1H-pyraz...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1cc(nn1-c1ccc(F)c(F)c1)-c1ccncc1
Show InChI InChI=1S/C26H17F5N6O/c1-36-11-8-22(34-36)18-12-16(2-4-19(18)26(29,30)31)25(38)33-24-14-23(15-6-9-32-10-7-15)35-37(24)17-3-5-20(27)21(28)13-17/h2-14H,1H3,(H,33,38)
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n/an/a 9.70n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376031
PNG
(5'-methyl-N-(1- methylazetidin-3-yl)-5-({[3- (1-me...)
Show SMILES CN1CC(C1)NC(=O)c1cc(NC(=O)c2ccc(c(c2)-c2ccn(C)n2)C(F)(F)F)n(n1)-c1cc(C)n[nH]1
Show InChI InChI=1S/C24H24F3N9O2/c1-13-8-21(31-30-13)36-20(10-19(33-36)23(38)28-15-11-34(2)12-15)29-22(37)14-4-5-17(24(25,26)27)16(9-14)18-6-7-35(3)32-18/h4-10,15H,11-12H2,1-3H3,(H,28,38)(H,29,37)(H,30,31)
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n/an/a 10n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376048
PNG
(N-(1',4-dimethyl-1-phenyl- 1H,1'H-3,4'-bipyrazol-5...)
Show SMILES Cc1c(NC(=O)c2ccc(c(c2)-c2ccn(C)n2)C(F)(F)F)n(nc1-c1cnn(C)c1)-c1ccccc1
Show InChI InChI=1S/C26H22F3N7O/c1-16-23(18-14-30-35(3)15-18)33-36(19-7-5-4-6-8-19)24(16)31-25(37)17-9-10-21(26(27,28)29)20(13-17)22-11-12-34(2)32-22/h4-15H,1-3H3,(H,31,37)
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n/an/a 11n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376047
PNG
(N-(1-methyl-3-phenyl-1H- pyrazol-4-yl)-3-(1-methyl...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1cn(C)nc1-c1ccccc1
Show InChI InChI=1S/C22H18F3N5O/c1-29-11-10-18(27-29)16-12-15(8-9-17(16)22(23,24)25)21(31)26-19-13-30(2)28-20(19)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,26,31)
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n/an/a 11n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376097
PNG
(2-fluoro-N-(1-(4- fluorophenyl)-3-(2- hydroxyethyl...)
Show SMILES OCCc1cc(NC(=O)c2cc(-c3ncccn3)c(cc2F)C(F)(F)F)n(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H16F5N5O2/c24-13-2-4-15(5-3-13)33-20(10-14(32-33)6-9-34)31-22(35)17-11-16(21-29-7-1-8-30-21)18(12-19(17)25)23(26,27)28/h1-5,7-8,10-12,34H,6,9H2,(H,31,35)
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n/an/a 12n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376104
PNG
((S or R)-2-fluoro-N-(1-(4- fluorophenyl)-3-(5-(1- ...)
Show SMILES CC(O)c1ccc(nc1)-c1cc(NC(=O)c2cc(-c3ncccn3)c(cc2F)C(F)(F)F)n(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H19F5N6O2/c1-15(40)16-3-8-23(36-14-16)24-13-25(39(38-24)18-6-4-17(29)5-7-18)37-27(41)20-11-19(26-34-9-2-10-35-26)21(12-22(20)30)28(31,32)33/h2-15,40H,1H3,(H,37,41)
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n/an/a 12n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376050
PNG
(2-chloro-N-(4-methyl-1- phenyl-1H-pyrazol-5-yl)-5-...)
Show SMILES Cc1cnn(c1NC(=O)c1cc(-c2ccn(C)n2)c(cc1Cl)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C22H17ClF3N5O/c1-13-12-27-31(14-6-4-3-5-7-14)20(13)28-21(32)16-10-15(19-8-9-30(2)29-19)17(11-18(16)23)22(24,25)26/h3-12H,1-2H3,(H,28,32)
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n/an/a 13n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376092
PNG
(N-(3-(azetidine-1-carbonyl)-1- (4-fluorophenyl)-1H...)
Show SMILES Fc1ccc(cc1)-n1nc(cc1NC(=O)c1cc(-c2ncccn2)c(cc1F)C(F)(F)F)C(=O)N1CCC1
Show InChI InChI=1S/C25H17F5N6O2/c26-14-3-5-15(6-4-14)36-21(13-20(34-36)24(38)35-9-2-10-35)33-23(37)17-11-16(22-31-7-1-8-32-22)18(12-19(17)27)25(28,29)30/h1,3-8,11-13H,2,9-10H2,(H,33,37)
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n/an/a 14n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376101
PNG
(2-fluoro-N-(1-(4- fluorophenyl)-3- (hydroxymethyl)...)
Show SMILES OCc1cc(NC(=O)c2cc(-c3ncccn3)c(cc2F)C(F)(F)F)n(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H14F5N5O2/c23-12-2-4-14(5-3-12)32-19(8-13(11-33)31-32)30-21(34)16-9-15(20-28-6-1-7-29-20)17(10-18(16)24)22(25,26)27/h1-10,33H,11H2,(H,30,34)
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n/an/a 14n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376081
PNG
(N-[1-(4-fluorophenyl)-3-{[2- (2-hydroxyethyl)-2H-t...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1cc(Cc2nnn(CCO)n2)nn1-c1ccc(F)cc1
Show InChI InChI=1S/C25H21F4N9O2/c1-36-9-8-21(33-36)19-12-15(2-7-20(19)25(27,28)29)24(40)30-23-14-17(13-22-31-35-37(34-22)10-11-39)32-38(23)18-5-3-16(26)4-6-18/h2-9,12,14,39H,10-11,13H2,1H3,(H,30,40)
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n/an/a 14n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376117
PNG
(2-fluoro-N-(1-(4- fluorophenyl)-3-((5-oxo-4,5- dih...)
Show SMILES Fc1ccc(cc1)-n1nc(Cc2n[nH]c(=O)o2)cc1NC(=O)c1cc(-c2ncccn2)c(cc1F)C(F)(F)F
Show InChI InChI=1S/C24H14F5N7O3/c25-12-2-4-14(5-3-12)36-19(8-13(35-36)9-20-33-34-23(38)39-20)32-22(37)16-10-15(21-30-6-1-7-31-21)17(11-18(16)26)24(27,28)29/h1-8,10-11H,9H2,(H,32,37)(H,34,38)
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n/an/a 15n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376103
PNG
((S or R)-2-fluoro-N-(1-(4- fluorophenyl)-3-(1- hyd...)
Show SMILES CC(O)c1cc(NC(=O)c2cc(-c3ncccn3)c(cc2F)C(F)(F)F)n(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H16F5N5O2/c1-12(34)19-11-20(33(32-19)14-5-3-13(24)4-6-14)31-22(35)16-9-15(21-29-7-2-8-30-21)17(10-18(16)25)23(26,27)28/h2-12,34H,1H3,(H,31,35)
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n/an/a 16n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376113
PNG
(2-fluoro-N-(1-(2- hydroxyethyl)-3-phenyl-1H- pyraz...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cn(CCO)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C23H19F4N5O2/c1-31-8-7-19(29-31)15-11-16(18(24)12-17(15)23(25,26)27)22(34)28-20-13-32(9-10-33)30-21(20)14-5-3-2-4-6-14/h2-8,11-13,33H,9-10H2,1H3,(H,28,34)
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n/an/a 16n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376022
PNG
(3-(1-methyl-1H-pyrazol-3-yl)- N-(5-phenyl-1H-pyraz...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1cn[nH]c1-c1ccccc1
Show InChI InChI=1S/C21H16F3N5O/c1-29-10-9-17(28-29)15-11-14(7-8-16(15)21(22,23)24)20(30)26-18-12-25-27-19(18)13-5-3-2-4-6-13/h2-12H,1H3,(H,25,27)(H,26,30)
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n/an/a 18n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376037
PNG
(N-(1-acetyl-3-phenyl-1H- pyrazol-4-yl)-3-(1-methyl...)
Show SMILES CC(=O)n1cc(NC(=O)c2ccc(c(c2)-c2ccn(C)n2)C(F)(F)F)c(n1)-c1ccccc1
Show InChI InChI=1S/C23H18F3N5O2/c1-14(32)31-13-20(21(29-31)15-6-4-3-5-7-15)27-22(33)16-8-9-18(23(24,25)26)17(12-16)19-10-11-30(2)28-19/h3-13H,1-2H3,(H,27,33)
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n/an/a 18n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376016
PNG
(N-(1-methyl-4-phenyl-1H- imidazol-5-yl)-3-(1-methy...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1c(ncn1C)-c1ccccc1
Show InChI InChI=1S/C22H18F3N5O/c1-29-13-26-19(14-6-4-3-5-7-14)20(29)27-21(31)15-8-9-17(22(23,24)25)16(12-15)18-10-11-30(2)28-18/h3-13H,1-2H3,(H,27,31)
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n/an/a 19n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376018
PNG
(N-(1,2-dimethyl-4-phenyl-1H- imidazol-5-yl)-3-(1-m...)
Show SMILES Cc1nc(c(NC(=O)c2ccc(c(c2)-c2ccn(C)n2)C(F)(F)F)n1C)-c1ccccc1
Show InChI InChI=1S/C23H20F3N5O/c1-14-27-20(15-7-5-4-6-8-15)21(31(14)3)28-22(32)16-9-10-18(23(24,25)26)17(13-16)19-11-12-30(2)29-19/h4-13H,1-3H3,(H,28,32)
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n/an/a 20n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376028
PNG
(N-(1-phenyl-3-pyridin-4-yl- 1H-pyrazol-5-yl)-3-(1H...)
Show SMILES FC(F)(F)c1ccc(cc1-n1cccn1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccncc1
Show InChI InChI=1S/C25H17F3N6O/c26-25(27,28)20-8-7-18(15-22(20)33-14-4-11-30-33)24(35)31-23-16-21(17-9-12-29-13-10-17)32-34(23)19-5-2-1-3-6-19/h1-16H,(H,31,35)
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n/an/a 21n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376068
PNG
(2-fluoro-N-[1-(4- fluorophenyl)-3-pyrimidin-2- yl-...)
Show SMILES Fc1ccc(cc1)-n1nc(cc1NC(=O)c1cc(-c2cc[nH]n2)c(cc1F)C(F)(F)F)-c1ncccn1
Show InChI InChI=1S/C24H14F5N7O/c25-13-2-4-14(5-3-13)36-21(12-20(35-36)22-30-7-1-8-31-22)33-23(37)16-10-15(19-6-9-32-34-19)17(11-18(16)26)24(27,28)29/h1-12H,(H,32,34)(H,33,37)
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n/an/a 22n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376060
PNG
(N-[3-(6-oxo-1,6- dihydropyridazin-3-yl)-1- phenyl-...)
Show SMILES FC(F)(F)c1ccc(cc1-c1ncccn1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccc(=O)[nH]n1
Show InChI InChI=1S/C25H16F3N7O2/c26-25(27,28)18-8-7-15(13-17(18)23-29-11-4-12-30-23)24(37)31-21-14-20(19-9-10-22(36)33-32-19)34-35(21)16-5-2-1-3-6-16/h1-14H,(H,31,37)(H,33,36)
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n/an/a 27n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376011
PNG
(N,N,5'-trimethyl-5-({[3-(1- methyl-1H-pyrazol-3-yl...)
Show SMILES CN(C)C(=O)c1cc(NC(=O)c2ccc(c(c2)-c2ccn(C)n2)C(F)(F)F)n(n1)-c1cc(C)n[nH]1
Show InChI InChI=1S/C22H21F3N8O2/c1-12-9-19(28-27-12)33-18(11-17(30-33)21(35)31(2)3)26-20(34)13-5-6-15(22(23,24)25)14(10-13)16-7-8-32(4)29-16/h5-11H,1-4H3,(H,26,34)(H,27,28)
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n/an/a 32n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376086
PNG
(N-[2-(4-fluorophenyl)-2,4,5,6- tetrahydrocyclopent...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1c2CCCc2nn1-c1ccc(F)cc1
Show InChI InChI=1S/C24H19F4N5O/c1-32-12-11-21(30-32)18-13-14(5-10-19(18)24(26,27)28)23(34)29-22-17-3-2-4-20(17)31-33(22)16-8-6-15(25)7-9-16/h5-13H,2-4H2,1H3,(H,29,34)
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n/an/a 33n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376017
PNG
(N-(2-methyl-4-phenyl-1H- imidazol-5-yl)-3-(1-methy...)
Show SMILES Cc1nc(c(NC(=O)c2ccc(c(c2)-c2ccn(C)n2)C(F)(F)F)[nH]1)-c1ccccc1
Show InChI InChI=1S/C22H18F3N5O/c1-13-26-19(14-6-4-3-5-7-14)20(27-13)28-21(31)15-8-9-17(22(23,24)25)16(12-15)18-10-11-30(2)29-18/h3-12H,1-2H3,(H,26,27)(H,28,31)
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n/an/a 38n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376083
PNG
(3-(1-methyl-1H-pyrazol-3-yl)- N-(2-phenyl-6,7-dihy...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1c(nc2CCCn12)-c1ccccc1
Show InChI InChI=1S/C24H20F3N5O/c1-31-13-11-19(30-31)17-14-16(9-10-18(17)24(25,26)27)23(33)29-22-21(15-6-3-2-4-7-15)28-20-8-5-12-32(20)22/h2-4,6-7,9-11,13-14H,5,8,12H2,1H3,(H,29,33)
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n/an/a 44n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376020
PNG
(N-[3-(4-methyl-5-oxo-4,5- dihydro-1H-1,2,4-triazol...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1cc(nn1-c1ccccc1)-c1n[nH]c(=O)n1C
Show InChI InChI=1S/C24H19F3N8O2/c1-33-11-10-18(31-33)16-12-14(8-9-17(16)24(25,26)27)22(36)28-20-13-19(21-29-30-23(37)34(21)2)32-35(20)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,28,36)(H,30,37)
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n/an/a 46n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376008
PNG
(6-[5-({[2-chloro-4- (trifluoromethyl)phenyl] carbo...)
Show SMILES NC(=O)c1ccc(nc1)-c1cc(NC(=O)c2ccc(cc2Cl)C(F)(F)F)n(n1)-c1ccccc1
Show InChI InChI=1S/C23H15ClF3N5O2/c24-17-10-14(23(25,26)27)7-8-16(17)22(34)30-20-11-19(18-9-6-13(12-29-18)21(28)33)31-32(20)15-4-2-1-3-5-15/h1-12H,(H2,28,33)(H,30,34)
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n/an/a 48n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376077
PNG
(N-[1-(4-fluorophenyl)-3- methyl-1H-pyrazol-5-yl]-3...)
Show SMILES CC1C=CC(=N1)c1cc(ccc1OC(F)(F)F)C(=O)Nc1cc(C)nn1-c1ccc(F)cc1 |c:2,4|
Show InChI InChI=1S/C23H18F4N4O2/c1-13-3-9-19(28-13)18-12-15(4-10-20(18)33-23(25,26)27)22(32)29-21-11-14(2)30-31(21)17-7-5-16(24)6-8-17/h3-13H,1-2H3,(H,29,32)
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n/an/a 57n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376006
PNG
(5-({[2-chloro-4- (trifluoromethyl)phenyl]carbonyl}...)
Show SMILES FC(F)(F)c1ccc(C(=O)Nc2cc(nn2-c2ccccc2)C(=O)NC2CC2)c(Cl)c1
Show InChI InChI=1S/C21H16ClF3N4O2/c22-16-10-12(21(23,24)25)6-9-15(16)19(30)27-18-11-17(20(31)26-13-7-8-13)28-29(18)14-4-2-1-3-5-14/h1-6,9-11,13H,7-8H2,(H,26,31)(H,27,30)
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n/an/a 60n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376076
PNG
(N-(2-methyl-5-phenyl-1,3- thiazol-4-yl)-3-(1-methy...)
Show SMILES Cc1nc(NC(=O)c2ccc(c(c2)-c2ccn(C)n2)C(F)(F)F)c(s1)-c1ccccc1
Show InChI InChI=1S/C22H17F3N4OS/c1-13-26-20(19(31-13)14-6-4-3-5-7-14)27-21(30)15-8-9-17(22(23,24)25)16(12-15)18-10-11-29(2)28-18/h3-12H,1-2H3,(H,27,30)
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n/an/a 62n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376061
PNG
(N-[5'-methyl-3-(6-oxo-1,6- dihydropyridazin-3-yl)-...)
Show SMILES Cc1cc(n[nH]1)-n1nc(cc1NC(=O)c1ccc(c(c1)-c1ncccn1)C(F)(F)F)-c1ccc(=O)[nH]n1
Show InChI InChI=1S/C23H16F3N9O2/c1-12-9-19(32-30-12)35-18(11-17(34-35)16-5-6-20(36)33-31-16)29-22(37)13-3-4-15(23(24,25)26)14(10-13)21-27-7-2-8-28-21/h2-11H,1H3,(H,29,37)(H,30,32)(H,33,36)
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n/an/a 78n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376066
PNG
(2-fluoro-N-(5-phenyl-1H- pyrazol-4-yl)-5-(1H-pyraz...)
Show SMILES Fc1cc(c(cc1C(=O)Nc1cn[nH]c1-c1ccccc1)-c1cc[nH]n1)C(F)(F)F
Show InChI InChI=1S/C20H13F4N5O/c21-15-9-14(20(22,23)24)12(16-6-7-25-28-16)8-13(15)19(30)27-17-10-26-29-18(17)11-4-2-1-3-5-11/h1-10H,(H,25,28)(H,26,29)(H,27,30)
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n/an/a 85n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376075
PNG
(3-(1-methyl-1H-pyrazol-3-yl)- N-[3-(6-oxo-1,6- dih...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1OC(F)(F)F)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccc(=O)[nH]n1
Show InChI InChI=1S/C25H18F3N7O3/c1-34-12-11-18(32-34)17-13-15(7-9-21(17)38-25(26,27)28)24(37)29-22-14-20(19-8-10-23(36)31-30-19)33-35(22)16-5-3-2-4-6-16/h2-14H,1H3,(H,29,37)(H,31,36)
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n/an/a 89n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376079
PNG
(3-(1-ethyl-1H-pyrazol-3-yl)- N-[1-(4-fluorophenyl)...)
Show SMILES CCn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1cc(C)nn1-c1ccc(F)cc1
Show InChI InChI=1S/C23H19F4N5O/c1-3-31-11-10-20(30-31)18-13-15(4-9-19(18)23(25,26)27)22(33)28-21-12-14(2)29-32(21)17-7-5-16(24)6-8-17/h4-13H,3H2,1-2H3,(H,28,33)
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n/an/a 89n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376046
PNG
(4-chloro-N-[1-(4- fluorophenyl)-3-pyridin-4-yl- 1H...)
Show SMILES Fc1ccc(cc1)-n1nc(cc1NC(=O)c1ccc(Cl)c(c1)-c1cc[nH]n1)-c1ccncc1
Show InChI InChI=1S/C24H16ClFN6O/c25-20-6-1-16(13-19(20)21-9-12-28-30-21)24(33)29-23-14-22(15-7-10-27-11-8-15)31-32(23)18-4-2-17(26)3-5-18/h1-14H,(H,28,30)(H,29,33)
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n/an/a 110n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376019
PNG
(N-(3-methyl-1-phenyl-1H- 1,2,4-triazol-5-yl)-3-(1-...)
Show SMILES Cc1nc(NC(=O)c2ccc(c(c2)-c2ccn(C)n2)C(F)(F)F)n(n1)-c1ccccc1
Show InChI InChI=1S/C21H17F3N6O/c1-13-25-20(30(27-13)15-6-4-3-5-7-15)26-19(31)14-8-9-17(21(22,23)24)16(12-14)18-10-11-29(2)28-18/h3-12H,1-2H3,(H,25,26,27,31)
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n/an/a 150n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376021
PNG
(3-(1-methyl-1H-pyrazol-3-yl)- N-(4-phenylisoxazol-...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1oncc1-c1ccccc1
Show InChI InChI=1S/C21H15F3N4O2/c1-28-10-9-18(27-28)15-11-14(7-8-17(15)21(22,23)24)19(29)26-20-16(12-25-30-20)13-5-3-2-4-6-13/h2-12H,1H3,(H,26,29)
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n/an/a 170n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376078
PNG
(N-(1,5'-dimethyl-1H,2'H-3,3'- bipyrazol-4-yl)-3-(1...)
Show SMILES Cc1cc([nH]n1)-c1nn(C)cc1NC(=O)c1ccc(c(c1)-c1ccn(C)n1)C(F)(F)F
Show InChI InChI=1S/C20H18F3N7O/c1-11-8-16(26-25-11)18-17(10-30(3)28-18)24-19(31)12-4-5-14(20(21,22)23)13(9-12)15-6-7-29(2)27-15/h4-10H,1-3H3,(H,24,31)(H,25,26)
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n/an/a 180n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376041
PNG
(3-(1-methyl-1H-pyrazol-3-yl)- N-(5-phenylisoxazol-...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1cnoc1-c1ccccc1
Show InChI InChI=1S/C21H15F3N4O2/c1-28-10-9-17(27-28)15-11-14(7-8-16(15)21(22,23)24)20(29)26-18-12-25-30-19(18)13-5-3-2-4-6-13/h2-12H,1H3,(H,26,29)
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n/an/a 180n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376045
PNG
(4-chloro-3-(1H-pyrazol-3-yl)- N-[3-pyridin-4-yl-5'...)
Show SMILES FC(F)(F)c1cc([nH]n1)-n1nc(cc1NC(=O)c1ccc(Cl)c(c1)-c1cc[nH]n1)-c1ccncc1
Show InChI InChI=1S/C22H14ClF3N8O/c23-15-2-1-13(9-14(15)16-5-8-28-30-16)21(35)29-19-10-17(12-3-6-27-7-4-12)33-34(19)20-11-18(31-32-20)22(24,25)26/h1-11H,(H,28,30)(H,29,35)(H,31,32)
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n/an/a 240n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376073
PNG
(3-(1-methyl-1H-pyrazol-3-yl)- N-[5'-methyl-3-(pyrr...)
Show SMILES Cc1cc([nH]n1)-n1nc(CN2CCCC2)cc1NC(=O)c1ccc(c(c1)-c1ccn(C)n1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N8O/c1-15-11-22(30-29-15)35-21(13-17(31-35)14-34-8-3-4-9-34)28-23(36)16-5-6-19(24(25,26)27)18(12-16)20-7-10-33(2)32-20/h5-7,10-13H,3-4,8-9,14H2,1-2H3,(H,28,36)(H,29,30)
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n/an/a 240n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376072
PNG
(N-(3-{[(2- hydroxyethyl)amino]methyl}- 5'-methyl-2...)
Show SMILES Cc1cc([nH]n1)-n1nc(CNCCO)cc1NC(=O)c1ccc(c(c1)-c1ccn(C)n1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N8O2/c1-13-9-20(29-28-13)33-19(11-15(30-33)12-26-6-8-34)27-21(35)14-3-4-17(22(23,24)25)16(10-14)18-5-7-32(2)31-18/h3-5,7,9-11,26,34H,6,8,12H2,1-2H3,(H,27,35)(H,28,29)
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n/an/a 240n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376014
PNG
(2-chloro-N-[3-(6-oxo-1,6- dihydropyridazin-3-yl)-1...)
Show SMILES FC(F)(F)c1ccc(C(=O)Nc2cc(nn2-c2ccccc2)-c2ccc(=O)[nH]n2)c(Cl)c1
Show InChI InChI=1S/C21H13ClF3N5O2/c22-15-10-12(21(23,24)25)6-7-14(15)20(32)26-18-11-17(16-8-9-19(31)28-27-16)29-30(18)13-4-2-1-3-5-13/h1-11H,(H,26,32)(H,28,31)
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n/an/a 290n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376038
PNG
(3-(1-methyl-1H-pyrazol-3-yl)- N-(4-phenyl-4H-1,2,4...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1nncn1-c1ccccc1
Show InChI InChI=1S/C20H15F3N6O/c1-28-10-9-17(27-28)15-11-13(7-8-16(15)20(21,22)23)18(30)25-19-26-24-12-29(19)14-5-3-2-4-6-14/h2-12H,1H3,(H,25,26,30)
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n/an/a 330n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376030
PNG
(N-[1-(4-fluorophenyl)-3- pyridin-4-yl-1H-pyrazol-5...)
Show SMILES Fc1ccc(cc1)-n1nc(cc1NC(=O)c1ccc(c(c1)-c1ncns1)C(F)(F)F)-c1ccncc1
Show InChI InChI=1S/C24H14F4N6OS/c25-16-2-4-17(5-3-16)34-21(12-20(33-34)14-7-9-29-10-8-14)32-22(35)15-1-6-19(24(26,27)28)18(11-15)23-30-13-31-36-23/h1-13H,(H,32,35)
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n/an/a 350n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376074
PNG
(N-[3-(6-oxo-1,6- dihydropyridazin-3-yl)-1- phenyl-...)
Show SMILES FC(F)(F)Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccc(=O)[nH]n1
Show InChI InChI=1S/C26H17F6N7O2/c27-25(28,29)14-38-11-10-19(36-38)17-12-15(6-7-18(17)26(30,31)32)24(41)33-22-13-21(20-8-9-23(40)35-34-20)37-39(22)16-4-2-1-3-5-16/h1-13H,14H2,(H,33,41)(H,35,40)
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n/an/a 390n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376058
PNG
(2-chloro-N-(3,5'-dimethyl-1'H- 1,3'-bipyrazol-5-yl...)
Show SMILES Cc1cc(NC(=O)c2cc(ccc2Cl)-c2cc[nH]n2)n(n1)-c1cc(C)[nH]n1
Show InChI InChI=1S/C18H16ClN7O/c1-10-7-17(24-22-10)26-16(8-11(2)25-26)21-18(27)13-9-12(3-4-14(13)19)15-5-6-20-23-15/h3-9H,1-2H3,(H,20,23)(H,21,27)(H,22,24)
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n/an/a 490n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376033
PNG
(N-[1-(4-fluorophenyl)-3- pyridin-4-yl-1H-pyrazol-5...)
Show SMILES Cc1cc(no1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1cc(nn1-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C26H17F4N5O2/c1-15-12-23(34-37-15)20-13-17(2-7-21(20)26(28,29)30)25(36)32-24-14-22(16-8-10-31-11-9-16)33-35(24)19-5-3-18(27)4-6-19/h2-14H,1H3,(H,32,36)
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n/an/a 530n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376057
PNG
(N-[1,2-dimethyl-4-(2-methyl- 1,3-thiazol-4-yl)-1H-...)
Show SMILES Cc1nc(cs1)-c1nc(C)n(C)c1NC(=O)c1ccc(c(c1)-c1ccn(C)n1)C(F)(F)F
Show InChI InChI=1S/C21H19F3N6OS/c1-11-25-18(17-10-32-12(2)26-17)19(30(11)4)27-20(31)13-5-6-15(21(22,23)24)14(9-13)16-7-8-29(3)28-16/h5-10H,1-4H3,(H,27,31)
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n/an/a 590n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376027
PNG
(3,5-dichloro-4-methyl-N-(1- phenyl-3-pyridin-4-yl-...)
Show SMILES Cc1cc(cc(C)c1C)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccncc1
Show InChI InChI=1S/C24H22N4O/c1-16-13-20(14-17(2)18(16)3)24(29)26-23-15-22(19-9-11-25-12-10-19)27-28(23)21-7-5-4-6-8-21/h4-15H,1-3H3,(H,26,29)
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n/an/a 670n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376005
PNG
(2-fluoro-N-(2-methyl-4- phenyl-1,3-thiazol-5-yl)-4...)
Show SMILES Cc1nc(c(NC(=O)c2ccc(cc2F)C(F)(F)F)s1)-c1ccccc1
Show InChI InChI=1S/C18H12F4N2OS/c1-10-23-15(11-5-3-2-4-6-11)17(26-10)24-16(25)13-8-7-12(9-14(13)19)18(20,21)22/h2-9H,1H3,(H,24,25)
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n/an/a 780n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376035
PNG
(N-[1-(4-fluorophenyl)-3- pyridin-4-yl-1H-pyrazol-5...)
Show SMILES Cc1cccnc1-c1cc(ccc1C(F)(F)F)C(=O)Nc1cc(nn1-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C28H19F4N5O/c1-17-3-2-12-34-26(17)22-15-19(4-9-23(22)28(30,31)32)27(38)35-25-16-24(18-10-13-33-14-11-18)36-37(25)21-7-5-20(29)6-8-21/h2-16H,1H3,(H,35,38)
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n/an/a 860n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376042
PNG
(3-(1-methyl-1H-pyrazol-3-yl)- N-(5-oxo-2-phenyl-2,...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1cc(=O)[nH]n1-c1ccccc1
Show InChI InChI=1S/C21H16F3N5O2/c1-28-10-9-17(26-28)15-11-13(7-8-16(15)21(22,23)24)20(31)25-18-12-19(30)27-29(18)14-5-3-2-4-6-14/h2-12H,1H3,(H,25,31)(H,27,30)
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n/an/a 1.01E+3n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376051
PNG
(N-[1-(4-fluorophenyl)-3- pyridin-4-yl-1H-pyrazol-5...)
Show SMILES Fc1ccc(cc1)-n1nc(cc1NC(=O)c1ccc(c(c1)-c1cc[nH]c(=O)c1)C(F)(F)F)-c1ccncc1
Show InChI InChI=1S/C27H17F4N5O2/c28-19-2-4-20(5-3-19)36-24(15-23(35-36)16-7-10-32-11-8-16)34-26(38)18-1-6-22(27(29,30)31)21(13-18)17-9-12-33-25(37)14-17/h1-15H,(H,33,37)(H,34,38)
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n/an/a 1.24E+3n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376024
PNG
(N-(1-methyl-3-phenyl-1H- pyrazol-5-yl)-3-(1-methyl...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1cc(nn1C)-c1ccccc1
Show InChI InChI=1S/C22H18F3N5O/c1-29-11-10-18(27-29)16-12-15(8-9-17(16)22(23,24)25)21(31)26-20-13-19(28-30(20)2)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,26,31)
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376039
PNG
(N-[1-(4-fluorophenyl)-3- pyridin-4-yl-1H-pyrazol-5...)
Show SMILES Fc1ccc(cc1)-n1nc(cc1NC(=O)c1ccc(c(c1)-c1cccnc1)C(F)(F)F)-c1ccncc1
Show InChI InChI=1S/C27H17F4N5O/c28-20-4-6-21(7-5-20)36-25(15-24(35-36)17-9-12-32-13-10-17)34-26(37)18-3-8-23(27(29,30)31)22(14-18)19-2-1-11-33-16-19/h1-16H,(H,34,37)
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376012
PNG
(N-(1$#8243;,5-dimethyl-1H,1$#8243;H- 3,1':3',4$#82...)
Show SMILES Cc1cc(n[nH]1)-n1nc(cc1NC(=O)c1ccc(c(c1)-c1cccnc1)C(F)(F)F)-c1cnn(C)c1
Show InChI InChI=1S/C24H19F3N8O/c1-14-8-22(32-31-14)35-21(10-20(33-35)17-12-29-34(2)13-17)30-23(36)15-5-6-19(24(25,26)27)18(9-15)16-4-3-7-28-11-16/h3-13H,1-2H3,(H,30,36)(H,31,32)
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376056
PNG
(N-(1,2-dimethyl-4-pyridin-4- yl-1H-imidazol-5-yl)-...)
Show SMILES Cc1nc(c(NC(=O)c2ccc(c(c2)-c2ccn(C)n2)C(F)(F)F)n1C)-c1ccncc1
Show InChI InChI=1S/C22H19F3N6O/c1-13-27-19(14-6-9-26-10-7-14)20(31(13)3)28-21(32)15-4-5-17(22(23,24)25)16(12-15)18-8-11-30(2)29-18/h4-12H,1-3H3,(H,28,32)
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM376023
PNG
(3-(1-methyl-1H-pyrazol-3-yl)- N-(4-phenyl-1,2,3-th...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1snnc1-c1ccccc1
Show InChI InChI=1S/C20H14F3N5OS/c1-28-10-9-16(26-28)14-11-13(7-8-15(14)20(21,22)23)18(29)24-19-17(25-27-30-19)12-5-3-2-4-6-12/h2-11H,1H3,(H,24,29)
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Namur



Assay Description
In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...

J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ0629
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%