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Compile Data Set for Download or QSAR

Found 6375 hits of ic50 for UniProtKB: P04629   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM356152
PNG
(2-fluoro-5-(1-methyl-1H- pyrazol-3-yl)-N-(5-oxo-2-...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cc3C(=O)NCCc3nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C26H19F4N5O2/c1-35-10-8-21(34-35)15-11-16(19(27)13-18(15)26(28,29)30)25(37)33-22-12-17-20(7-9-31-24(17)36)32-23(22)14-5-3-2-4-6-14/h2-6,8,10-13H,7,9H2,1H3,(H,31,36)(H,33,37)
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n/an/a 0.0690n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9815846 (2017)


BindingDB Entry DOI: 10.7270/Q20P129R
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM356096
PNG
(N-(2-((2,5-dioxoimidazolidin-1- yl)methyl)-4-pheny...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cnc(CN3C(=O)CNC3=O)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C26H19F4N7O3/c1-36-8-7-19(35-36)15-9-16(18(27)10-17(15)26(28,29)30)24(39)33-20-11-31-21(13-37-22(38)12-32-25(37)40)34-23(20)14-5-3-2-4-6-14/h2-11H,12-13H2,1H3,(H,32,40)(H,33,39)
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n/an/a 0.0830n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9815846 (2017)


BindingDB Entry DOI: 10.7270/Q20P129R
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50524981
PNG
(CHEMBL4562879)
Show SMILES C[C@H](Nc1ccc2ncc(-c3cc(C)n[nH]3)n2n1)c1ccc(F)cc1F
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n/an/a 0.100n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TrkA kinase domain (436 to 790 residues) expressed in baculovirus expression system using biotin-poly-GT as...


J Med Chem 62: 4915-4935 (2019)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM356095
PNG
(US9815846, Compound 95)
Show SMILES CN1CC(=O)N(Cc2ncc(NC(=O)c3cc(-c4ccn(C)n4)c(cc3F)C(F)(F)F)c(n2)-c2ccccc2)C1=O
Show InChI InChI=1S/C27H21F4N7O3/c1-36-14-23(39)38(26(36)41)13-22-32-12-21(24(34-22)15-6-4-3-5-7-15)33-25(40)17-10-16(20-8-9-37(2)35-20)18(11-19(17)28)27(29,30)31/h3-12H,13-14H2,1-2H3,(H,33,40)
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n/an/a 0.110n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9815846 (2017)


BindingDB Entry DOI: 10.7270/Q20P129R
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM356218
PNG
(US9815846, Compound 218)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cnc(CN3CCOC3=O)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C26H20F4N6O3/c1-35-8-7-20(34-35)16-11-17(19(27)12-18(16)26(28,29)30)24(37)32-21-13-31-22(14-36-9-10-39-25(36)38)33-23(21)15-5-3-2-4-6-15/h2-8,11-13H,9-10,14H2,1H3,(H,32,37)
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n/an/a 0.140n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9815846 (2017)


BindingDB Entry DOI: 10.7270/Q20P129R
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM364467
PNG
(US9862707, Example 41)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2n(nc3cc(cnc23)C(C)(C)O)-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C27H22F4N6O2/c1-26(2,39)15-11-22-23(32-14-15)24(37(35-22)16-7-5-4-6-8-16)33-25(38)18-12-17(21-9-10-36(3)34-21)19(13-20(18)28)27(29,30)31/h4-14,39H,1-3H3,(H,33,38)
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n/an/a 0.160n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9862707 (2018)


BindingDB Entry DOI: 10.7270/Q2FB5576
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM364467
PNG
(US9862707, Example 41)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2n(nc3cc(cnc23)C(C)(C)O)-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C27H22F4N6O2/c1-26(2,39)15-11-22-23(32-14-15)24(37(35-22)16-7-5-4-6-8-16)33-25(38)18-12-17(21-9-10-36(3)34-21)19(13-20(18)28)27(29,30)31/h4-14,39H,1-3H3,(H,33,38)
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n/an/a 0.160n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human TRKA expressed in U2OS cells using Poly(Glu:Tyr) as substrate after 30 mins by scintillation counting ass...


Eur J Med Chem 175: 129-148 (2019)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM356058
PNG
(2-fluoro-N-(6-((2- methoxyacetamido)methyl)-2- phe...)
Show SMILES COCC(=O)NCc1ccc(NC(=O)c2cc(-c3ccn(C)n3)c(cc2F)C(F)(F)F)c(n1)-c1ccccc1
Show InChI InChI=1S/C27H23F4N5O3/c1-36-11-10-22(35-36)18-12-19(21(28)13-20(18)27(29,30)31)26(38)34-23-9-8-17(14-32-24(37)15-39-2)33-25(23)16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3,(H,32,37)(H,34,38)
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n/an/a 0.190n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9815846 (2017)


BindingDB Entry DOI: 10.7270/Q20P129R
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM356196
PNG
(US9815846, Compound 196)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2ccc(nc2-c2ccccc2)C2COC(=O)N2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C26H19F4N5O3/c1-35-10-9-19(34-35)15-11-16(18(27)12-17(15)26(28,29)30)24(36)32-21-8-7-20(22-13-38-25(37)33-22)31-23(21)14-5-3-2-4-6-14/h2-12,22H,13H2,1H3,(H,32,36)(H,33,37)
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n/an/a 0.190n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9815846 (2017)


BindingDB Entry DOI: 10.7270/Q20P129R
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM430334
PNG
(2-fluoro-N-[3-(1-hydroxy-1-methylethyl)- 7-phenyli...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2c(ccn3c(cnc23)C(C)(C)O)-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C28H23F4N5O2/c1-27(2,39)23-15-33-25-24(17(9-12-37(23)25)16-7-5-4-6-8-16)34-26(38)19-13-18(22-10-11-36(3)35-22)20(14-21(19)29)28(30,31)32/h4-15,39H,1-3H3,(H,34,38)
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n/an/a 0.200n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10556900 (2020)


BindingDB Entry DOI: 10.7270/Q2QC05X3
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164945
PNG
(US10166239, Ex. 3-40-5 | US9067914, Ex. 3-40-5)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1csc(n1)C(F)(F)F
Show InChI InChI=1S/C23H20F3N7O2S/c1-32-10-15(8-29-32)14-6-17-20(28-7-14)33(22(27)31-17)9-13-3-4-18(19(5-13)34-2)35-11-16-12-36-21(30-16)23(24,25)26/h3-8,10,12H,9,11H2,1-2H3,(H2,27,31)
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n/an/a 0.200n/an/an/an/an/an/a



Genzyme Corporation

US Patent


Assay Description
In a 384 well polypropylene plate, TrkA (0.4 nM, Carna 08-186) was pre-incubated in a 100 mM Hepes-NaOH pH 7.5 buffer containing 0.01% Triton X-100, ...


US Patent US10166239 (2019)


BindingDB Entry DOI: 10.7270/Q2WW7KSN
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50512464
PNG
(CHEMBL4555442)
Show SMILES Cn1cc(cn1)-c1n[nH]c2ccc(NCc3cc(F)ccc3S(C)(=O)=O)cc12
Show InChI InChI=1S/C19H18FN5O2S/c1-25-11-13(10-22-25)19-16-8-15(4-5-17(16)23-24-19)21-9-12-7-14(20)3-6-18(12)28(2,26)27/h3-8,10-11,21H,9H2,1-2H3,(H,23,24)
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n/an/a 0.200n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged TRKA (436 to 790) expressed in baculovirus expression system using TK-biotin peptide as substrate incubated for 45 min...


Bioorg Med Chem Lett 29: 2320-2326 (2019)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50512439
PNG
(CHEMBL4449648)
Show SMILES CC(C)N1Cc2cc(OCCCNC(=O)c3cnn4ccc1nc34)c(F)cc2F
Show InChI InChI=1S/C20H21F2N5O2/c1-12(2)26-11-13-8-17(16(22)9-15(13)21)29-7-3-5-23-20(28)14-10-24-27-6-4-18(26)25-19(14)27/h4,6,8-10,12H,3,5,7,11H2,1-2H3,(H,23,28)
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n/an/a 0.200n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human TRKA expressed in U2OS cells using Poly(Glu:Tyr) as substrate after 30 mins by scintillation counting ass...


Eur J Med Chem 175: 129-148 (2019)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50512442
PNG
(CHEMBL4554856)
Show SMILES CC(C)N1Cc2cc(O[C@@H](C)CNC(=O)c3cnn4cc1cnc34)cc(F)c2Cl
Show InChI InChI=1S/C20H21ClFN5O2/c1-11(2)26-9-13-4-15(5-17(22)18(13)21)29-12(3)6-24-20(28)16-8-25-27-10-14(26)7-23-19(16)27/h4-5,7-8,10-12H,6,9H2,1-3H3,(H,24,28)/t12-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human TRKA expressed in U2OS cells using Poly(Glu:Tyr) as substrate after 30 mins by scintillation counting ass...


Eur J Med Chem 175: 129-148 (2019)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM127782
PNG
(US10251889, Example 155 | US8791123, 155 | US97824...)
Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCO)c2n1
Show InChI InChI=1S/C19H21FN6O3/c1-29-19-13(9-12(20)10-22-19)15-3-2-6-25(15)16-4-7-26-17(24-16)14(11-23-26)18(28)21-5-8-27/h4,7,9-11,15,27H,2-3,5-6,8H2,1H3,(H,21,28)/t15-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Array BioPharma Inc

US Patent


Assay Description
Trk enzymatic selectivity was assessed using Omnia™ Kinase Assay reagents from Invitrogen Corp. Enzyme (either TrkA or TrkB from Invitrogen Corp.) an...


US Patent US9796724 (2017)


BindingDB Entry DOI: 10.7270/Q27M0B21
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164928
PNG
(US10166239, Ex. 3-35-2 | US9067914, Ex. 3-35-2)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N7O2/c1-34-13-18(11-32-34)17-8-19-23(31-10-17)35(24(29)33-19)12-15-3-5-20(21(7-15)36-2)37-14-16-4-6-22(30-9-16)25(26,27)28/h3-11,13H,12,14H2,1-2H3,(H2,29,33)
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n/an/a 0.200n/an/an/an/an/an/a



Genzyme Corporation

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9611265 (2017)


BindingDB Entry DOI: 10.7270/Q2S184KD
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164929
PNG
(US10166239, Ex. 3-35-3 | US9067914, Ex. 3-35-3)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H23F3N6O2/c1-34-14-19(12-32-34)18-10-21-24(31-11-18)35(25(30)33-21)13-17-5-8-22(23(9-17)36-2)37-15-16-3-6-20(7-4-16)26(27,28)29/h3-12,14H,13,15H2,1-2H3,(H2,30,33)
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n/an/a 0.200n/an/an/an/an/an/a



Genzyme Corporation

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9611265 (2017)


BindingDB Entry DOI: 10.7270/Q2S184KD
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164930
PNG
(US10166239, Ex. 3-35-4 | US9067914, Ex. 3-35-4)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(nc1)C1CC1
Show InChI InChI=1S/C27H27N7O2/c1-33-15-21(13-31-33)20-10-23-26(30-12-20)34(27(28)32-23)14-17-4-8-24(25(9-17)35-2)36-16-18-3-7-22(29-11-18)19-5-6-19/h3-4,7-13,15,19H,5-6,14,16H2,1-2H3,(H2,28,32)
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n/an/a 0.200n/an/an/an/an/an/a



Genzyme Corporation

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9611265 (2017)


BindingDB Entry DOI: 10.7270/Q2S184KD
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164941
PNG
(US10166239, Ex. 3-40-1 | US9067914, Ex. 3-40-1)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H23F3N6O3/c1-34-14-19(12-32-34)18-10-21-24(31-11-18)35(25(30)33-21)13-17-5-8-22(23(9-17)36-2)37-15-16-3-6-20(7-4-16)38-26(27,28)29/h3-12,14H,13,15H2,1-2H3,(H2,30,33)
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Genzyme Corporation

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9611265 (2017)


BindingDB Entry DOI: 10.7270/Q2S184KD
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164942
PNG
(US10166239, Ex. 3-40-2 | US9067914, Ex. 3-40-2)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(SC(F)(F)F)cc1
Show InChI InChI=1S/C26H23F3N6O2S/c1-34-14-19(12-32-34)18-10-21-24(31-11-18)35(25(30)33-21)13-17-5-8-22(23(9-17)36-2)37-15-16-3-6-20(7-4-16)38-26(27,28)29/h3-12,14H,13,15H2,1-2H3,(H2,30,33)
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n/an/a 0.200n/an/an/an/an/an/a



Genzyme Corporation

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9611265 (2017)


BindingDB Entry DOI: 10.7270/Q2S184KD
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164943
PNG
(US10166239, Ex. 3-40-3 | US9067914, Ex. 3-40-3)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(nc1)C(C)C
Show InChI InChI=1S/C27H29N7O2/c1-17(2)22-7-5-19(11-29-22)16-36-24-8-6-18(9-25(24)35-4)14-34-26-23(32-27(34)28)10-20(12-30-26)21-13-31-33(3)15-21/h5-13,15,17H,14,16H2,1-4H3,(H2,28,32)
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n/an/a 0.200n/an/an/an/an/an/a



Genzyme Corporation

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9611265 (2017)


BindingDB Entry DOI: 10.7270/Q2S184KD
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164944
PNG
(US10166239, Ex. 3-40-4 | US9067914, Ex. 3-40-4)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(CC(F)(F)F)cc1
Show InChI InChI=1S/C27H25F3N6O2/c1-35-15-21(13-33-35)20-10-22-25(32-12-20)36(26(31)34-22)14-19-7-8-23(24(9-19)37-2)38-16-18-5-3-17(4-6-18)11-27(28,29)30/h3-10,12-13,15H,11,14,16H2,1-2H3,(H2,31,34)
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n/an/a 0.200n/an/an/an/an/an/a



Genzyme Corporation

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9611265 (2017)


BindingDB Entry DOI: 10.7270/Q2S184KD
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164945
PNG
(US10166239, Ex. 3-40-5 | US9067914, Ex. 3-40-5)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1csc(n1)C(F)(F)F
Show InChI InChI=1S/C23H20F3N7O2S/c1-32-10-15(8-29-32)14-6-17-20(28-7-14)33(22(27)31-17)9-13-3-4-18(19(5-13)34-2)35-11-16-12-36-21(30-16)23(24,25)26/h3-8,10,12H,9,11H2,1-2H3,(H2,27,31)
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Genzyme Corporation

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9611265 (2017)


BindingDB Entry DOI: 10.7270/Q2S184KD
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM127782
PNG
(US10251889, Example 155 | US8791123, 155 | US97824...)
Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCO)c2n1
Show InChI InChI=1S/C19H21FN6O3/c1-29-19-13(9-12(20)10-22-19)15-3-2-6-25(15)16-4-7-26-17(24-16)14(11-23-26)18(28)21-5-8-27/h4,7,9-11,15,27H,2-3,5-6,8H2,1H3,(H,21,28)/t15-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Array BioPharma Inc

US Patent


Assay Description
An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter ...


US Patent US9782415 (2017)


BindingDB Entry DOI: 10.7270/Q2P84F0G
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM127782
PNG
(US10251889, Example 155 | US8791123, 155 | US97824...)
Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCO)c2n1
Show InChI InChI=1S/C19H21FN6O3/c1-29-19-13(9-12(20)10-22-19)15-3-2-6-25(15)16-4-7-26-17(24-16)14(11-23-26)18(28)21-5-8-27/h4,7,9-11,15,27H,2-3,5-6,8H2,1H3,(H,21,28)/t15-/m1/s1
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n/an/a 0.200n/an/an/an/a7.5n/a



Array BioPharma Inc

US Patent


Assay Description
An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter ...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164928
PNG
(US10166239, Ex. 3-35-2 | US9067914, Ex. 3-35-2)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N7O2/c1-34-13-18(11-32-34)17-8-19-23(31-10-17)35(24(29)33-19)12-15-3-5-20(21(7-15)36-2)37-14-16-4-6-22(30-9-16)25(26,27)28/h3-11,13H,12,14H2,1-2H3,(H2,29,33)
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n/an/a 0.200n/an/an/an/a7.525



Genzyme Corporation

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9067914 (2015)


BindingDB Entry DOI: 10.7270/Q28051CB
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164929
PNG
(US10166239, Ex. 3-35-3 | US9067914, Ex. 3-35-3)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H23F3N6O2/c1-34-14-19(12-32-34)18-10-21-24(31-11-18)35(25(30)33-21)13-17-5-8-22(23(9-17)36-2)37-15-16-3-6-20(7-4-16)26(27,28)29/h3-12,14H,13,15H2,1-2H3,(H2,30,33)
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n/an/a 0.200n/an/an/an/a7.525



Genzyme Corporation

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9067914 (2015)


BindingDB Entry DOI: 10.7270/Q28051CB
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164930
PNG
(US10166239, Ex. 3-35-4 | US9067914, Ex. 3-35-4)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(nc1)C1CC1
Show InChI InChI=1S/C27H27N7O2/c1-33-15-21(13-31-33)20-10-23-26(30-12-20)34(27(28)32-23)14-17-4-8-24(25(9-17)35-2)36-16-18-3-7-22(29-11-18)19-5-6-19/h3-4,7-13,15,19H,5-6,14,16H2,1-2H3,(H2,28,32)
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n/an/a 0.200n/an/an/an/a7.525



Genzyme Corporation

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9067914 (2015)


BindingDB Entry DOI: 10.7270/Q28051CB
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164941
PNG
(US10166239, Ex. 3-40-1 | US9067914, Ex. 3-40-1)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H23F3N6O3/c1-34-14-19(12-32-34)18-10-21-24(31-11-18)35(25(30)33-21)13-17-5-8-22(23(9-17)36-2)37-15-16-3-6-20(7-4-16)38-26(27,28)29/h3-12,14H,13,15H2,1-2H3,(H2,30,33)
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n/an/a 0.200n/an/an/an/a7.525



Genzyme Corporation

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9067914 (2015)


BindingDB Entry DOI: 10.7270/Q28051CB
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164942
PNG
(US10166239, Ex. 3-40-2 | US9067914, Ex. 3-40-2)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(SC(F)(F)F)cc1
Show InChI InChI=1S/C26H23F3N6O2S/c1-34-14-19(12-32-34)18-10-21-24(31-11-18)35(25(30)33-21)13-17-5-8-22(23(9-17)36-2)37-15-16-3-6-20(7-4-16)38-26(27,28)29/h3-12,14H,13,15H2,1-2H3,(H2,30,33)
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n/an/a 0.200n/an/an/an/a7.525



Genzyme Corporation

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9067914 (2015)


BindingDB Entry DOI: 10.7270/Q28051CB
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164943
PNG
(US10166239, Ex. 3-40-3 | US9067914, Ex. 3-40-3)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(nc1)C(C)C
Show InChI InChI=1S/C27H29N7O2/c1-17(2)22-7-5-19(11-29-22)16-36-24-8-6-18(9-25(24)35-4)14-34-26-23(32-27(34)28)10-20(12-30-26)21-13-31-33(3)15-21/h5-13,15,17H,14,16H2,1-4H3,(H2,28,32)
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n/an/a 0.200n/an/an/an/a7.525



Genzyme Corporation

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9067914 (2015)


BindingDB Entry DOI: 10.7270/Q28051CB
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164944
PNG
(US10166239, Ex. 3-40-4 | US9067914, Ex. 3-40-4)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(CC(F)(F)F)cc1
Show InChI InChI=1S/C27H25F3N6O2/c1-35-15-21(13-33-35)20-10-22-25(32-12-20)36(26(31)34-22)14-19-7-8-23(24(9-19)37-2)38-16-18-5-3-17(4-6-18)11-27(28,29)30/h3-10,12-13,15H,11,14,16H2,1-2H3,(H2,31,34)
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n/an/a 0.200n/an/an/an/a7.525



Genzyme Corporation

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9067914 (2015)


BindingDB Entry DOI: 10.7270/Q28051CB
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164945
PNG
(US10166239, Ex. 3-40-5 | US9067914, Ex. 3-40-5)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1csc(n1)C(F)(F)F
Show InChI InChI=1S/C23H20F3N7O2S/c1-32-10-15(8-29-32)14-6-17-20(28-7-14)33(22(27)31-17)9-13-3-4-18(19(5-13)34-2)35-11-16-12-36-21(30-16)23(24,25)26/h3-8,10,12H,9,11H2,1-2H3,(H2,27,31)
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n/an/a 0.200n/an/an/an/a7.525



Genzyme Corporation

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9067914 (2015)


BindingDB Entry DOI: 10.7270/Q28051CB
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164928
PNG
(US10166239, Ex. 3-35-2 | US9067914, Ex. 3-35-2)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N7O2/c1-34-13-18(11-32-34)17-8-19-23(31-10-17)35(24(29)33-19)12-15-3-5-20(21(7-15)36-2)37-14-16-4-6-22(30-9-16)25(26,27)28/h3-11,13H,12,14H2,1-2H3,(H2,29,33)
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n/an/a 0.200n/an/an/an/an/an/a



Genzyme Corporation

US Patent


Assay Description
In a 384 well polypropylene plate, TrkA (0.4 nM, Carna 08-186) was pre-incubated in a 100 mM Hepes-NaOH pH 7.5 buffer containing 0.01% Triton X-100, ...


US Patent US10166239 (2019)


BindingDB Entry DOI: 10.7270/Q2WW7KSN
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164929
PNG
(US10166239, Ex. 3-35-3 | US9067914, Ex. 3-35-3)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H23F3N6O2/c1-34-14-19(12-32-34)18-10-21-24(31-11-18)35(25(30)33-21)13-17-5-8-22(23(9-17)36-2)37-15-16-3-6-20(7-4-16)26(27,28)29/h3-12,14H,13,15H2,1-2H3,(H2,30,33)
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n/an/a 0.200n/an/an/an/an/an/a



Genzyme Corporation

US Patent


Assay Description
In a 384 well polypropylene plate, TrkA (0.4 nM, Carna 08-186) was pre-incubated in a 100 mM Hepes-NaOH pH 7.5 buffer containing 0.01% Triton X-100, ...


US Patent US10166239 (2019)


BindingDB Entry DOI: 10.7270/Q2WW7KSN
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164930
PNG
(US10166239, Ex. 3-35-4 | US9067914, Ex. 3-35-4)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(nc1)C1CC1
Show InChI InChI=1S/C27H27N7O2/c1-33-15-21(13-31-33)20-10-23-26(30-12-20)34(27(28)32-23)14-17-4-8-24(25(9-17)35-2)36-16-18-3-7-22(29-11-18)19-5-6-19/h3-4,7-13,15,19H,5-6,14,16H2,1-2H3,(H2,28,32)
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Genzyme Corporation

US Patent


Assay Description
In a 384 well polypropylene plate, TrkA (0.4 nM, Carna 08-186) was pre-incubated in a 100 mM Hepes-NaOH pH 7.5 buffer containing 0.01% Triton X-100, ...


US Patent US10166239 (2019)


BindingDB Entry DOI: 10.7270/Q2WW7KSN
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164941
PNG
(US10166239, Ex. 3-40-1 | US9067914, Ex. 3-40-1)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H23F3N6O3/c1-34-14-19(12-32-34)18-10-21-24(31-11-18)35(25(30)33-21)13-17-5-8-22(23(9-17)36-2)37-15-16-3-6-20(7-4-16)38-26(27,28)29/h3-12,14H,13,15H2,1-2H3,(H2,30,33)
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Genzyme Corporation

US Patent


Assay Description
In a 384 well polypropylene plate, TrkA (0.4 nM, Carna 08-186) was pre-incubated in a 100 mM Hepes-NaOH pH 7.5 buffer containing 0.01% Triton X-100, ...


US Patent US10166239 (2019)


BindingDB Entry DOI: 10.7270/Q2WW7KSN
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164942
PNG
(US10166239, Ex. 3-40-2 | US9067914, Ex. 3-40-2)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(SC(F)(F)F)cc1
Show InChI InChI=1S/C26H23F3N6O2S/c1-34-14-19(12-32-34)18-10-21-24(31-11-18)35(25(30)33-21)13-17-5-8-22(23(9-17)36-2)37-15-16-3-6-20(7-4-16)38-26(27,28)29/h3-12,14H,13,15H2,1-2H3,(H2,30,33)
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n/an/a 0.200n/an/an/an/an/an/a



Genzyme Corporation

US Patent


Assay Description
In a 384 well polypropylene plate, TrkA (0.4 nM, Carna 08-186) was pre-incubated in a 100 mM Hepes-NaOH pH 7.5 buffer containing 0.01% Triton X-100, ...


US Patent US10166239 (2019)


BindingDB Entry DOI: 10.7270/Q2WW7KSN
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164943
PNG
(US10166239, Ex. 3-40-3 | US9067914, Ex. 3-40-3)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(nc1)C(C)C
Show InChI InChI=1S/C27H29N7O2/c1-17(2)22-7-5-19(11-29-22)16-36-24-8-6-18(9-25(24)35-4)14-34-26-23(32-27(34)28)10-20(12-30-26)21-13-31-33(3)15-21/h5-13,15,17H,14,16H2,1-4H3,(H2,28,32)
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n/an/a 0.200n/an/an/an/an/an/a



Genzyme Corporation

US Patent


Assay Description
In a 384 well polypropylene plate, TrkA (0.4 nM, Carna 08-186) was pre-incubated in a 100 mM Hepes-NaOH pH 7.5 buffer containing 0.01% Triton X-100, ...


US Patent US10166239 (2019)


BindingDB Entry DOI: 10.7270/Q2WW7KSN
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164944
PNG
(US10166239, Ex. 3-40-4 | US9067914, Ex. 3-40-4)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(CC(F)(F)F)cc1
Show InChI InChI=1S/C27H25F3N6O2/c1-35-15-21(13-33-35)20-10-22-25(32-12-20)36(26(31)34-22)14-19-7-8-23(24(9-19)37-2)38-16-18-5-3-17(4-6-18)11-27(28,29)30/h3-10,12-13,15H,11,14,16H2,1-2H3,(H2,31,34)
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Genzyme Corporation

US Patent


Assay Description
In a 384 well polypropylene plate, TrkA (0.4 nM, Carna 08-186) was pre-incubated in a 100 mM Hepes-NaOH pH 7.5 buffer containing 0.01% Triton X-100, ...


US Patent US10166239 (2019)


BindingDB Entry DOI: 10.7270/Q2WW7KSN
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50512470
PNG
(CHEMBL4462919)
Show SMILES CS(=O)(=O)c1ccc(F)cc1CNc1ccc2[nH]nc(-c3cccnc3)c2c1
Show InChI InChI=1S/C20H17FN4O2S/c1-28(26,27)19-7-4-15(21)9-14(19)12-23-16-5-6-18-17(10-16)20(25-24-18)13-3-2-8-22-11-13/h2-11,23H,12H2,1H3,(H,24,25)
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Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged TRKA (436 to 790) expressed in baculovirus expression system using TK-biotin peptide as substrate incubated for 45 min...


Bioorg Med Chem Lett 29: 2320-2326 (2019)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 0.220n/an/an/an/an/an/a



Zoetis

Curated by ChEMBL


Assay Description
Inhibition of human wild type TrkA kinase domain expressed in mouse NIH/3T3 cells by HTRF assay


Bioorg Med Chem Lett 29: (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM356098
PNG
(N-(6-((2,5-dioxoimidazolidin-1- yl)methyl)-2-pheny...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2ccc(CN3C(=O)CNC3=O)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C27H20F4N6O3/c1-36-10-9-21(35-36)17-11-18(20(28)12-19(17)27(29,30)31)25(39)34-22-8-7-16(14-37-23(38)13-32-26(37)40)33-24(22)15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,32,40)(H,34,39)
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n/an/a 0.220n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9815846 (2017)


BindingDB Entry DOI: 10.7270/Q20P129R
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM356222
PNG
(2-fluoro-5-(1-methyl-1H- pyrazol-3-yl)-N-(2-((2-ox...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cnc(CN3CCCOC3=O)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C27H22F4N6O3/c1-36-10-8-21(35-36)17-12-18(20(28)13-19(17)27(29,30)31)25(38)33-22-14-32-23(15-37-9-5-11-40-26(37)39)34-24(22)16-6-3-2-4-7-16/h2-4,6-8,10,12-14H,5,9,11,15H2,1H3,(H,33,38)
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Merck Sharp & Dohme Corp

US Patent


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


US Patent US9815846 (2017)


BindingDB Entry DOI: 10.7270/Q20P129R
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM356059
PNG
(2-fluoro-5-(1-methyl-1H- pyrazol-3-yl)-N-(6-((2- (...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2ccc(CNC(=O)CS(C)(=O)=O)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C27H23F4N5O4S/c1-36-11-10-22(35-36)18-12-19(21(28)13-20(18)27(29,30)31)26(38)34-23-9-8-17(14-32-24(37)15-41(2,39)40)33-25(23)16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3,(H,32,37)(H,34,38)
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Merck Sharp & Dohme Corp

US Patent


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


US Patent US9815846 (2017)


BindingDB Entry DOI: 10.7270/Q20P129R
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM356227
PNG
(2-fluoro-5-(1-methyl-1H- pyrazol-3-yl)-N-(2-((5-ox...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cnc(Cn3cn[nH]c3=O)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C25H18F4N8O2/c1-36-8-7-19(35-36)15-9-16(18(26)10-17(15)25(27,28)29)23(38)32-20-11-30-21(12-37-13-31-34-24(37)39)33-22(20)14-5-3-2-4-6-14/h2-11,13H,12H2,1H3,(H,32,38)(H,34,39)
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Merck Sharp & Dohme Corp

US Patent


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


US Patent US9815846 (2017)


BindingDB Entry DOI: 10.7270/Q20P129R
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM364459
PNG
((R or S)-2-fluoro-N-[6-(1- hydroxyethyl)-2-phenyl-...)
Show SMILES CC(O)c1cnc2c(NC(=O)c3cc(-c4ccn(C)n4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1S/C26H20F4N6O2/c1-14(37)15-10-22-23(31-13-15)24(36(34-22)16-6-4-3-5-7-16)32-25(38)18-11-17(21-8-9-35(2)33-21)19(12-20(18)27)26(28,29)30/h3-14,37H,1-2H3,(H,32,38)
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n/an/a 0.25n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human TRKA expressed in U2OS cells using Poly(Glu:Tyr) as substrate after 30 mins by scintillation counting ass...


Eur J Med Chem 175: 129-148 (2019)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM356129
PNG
(US9815846, Compound 129)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cnc(Cc3nnc[nH]3)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C25H18F4N8O/c1-37-8-7-19(36-37)15-9-16(18(26)10-17(15)25(27,28)29)24(38)33-20-12-30-21(11-22-31-13-32-35-22)34-23(20)14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3,(H,33,38)(H,31,32,35)
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Merck Sharp & Dohme Corp

US Patent


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


US Patent US9815846 (2017)


BindingDB Entry DOI: 10.7270/Q20P129R
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM356097
PNG
(N-(2-((2,4-dioxooxazolidin-3- yl)methyl)-4-phenylp...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cnc(CN3C(=O)COC3=O)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C26H18F4N6O4/c1-35-8-7-19(34-35)15-9-16(18(27)10-17(15)26(28,29)30)24(38)32-20-11-31-21(12-36-22(37)13-40-25(36)39)33-23(20)14-5-3-2-4-6-14/h2-11H,12-13H2,1H3,(H,32,38)
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Merck Sharp & Dohme Corp

US Patent


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


US Patent US9815846 (2017)


BindingDB Entry DOI: 10.7270/Q20P129R
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM364459
PNG
((R or S)-2-fluoro-N-[6-(1- hydroxyethyl)-2-phenyl-...)
Show SMILES CC(O)c1cnc2c(NC(=O)c3cc(-c4ccn(C)n4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1S/C26H20F4N6O2/c1-14(37)15-10-22-23(31-13-15)24(36(34-22)16-6-4-3-5-7-16)32-25(38)18-11-17(21-8-9-35(2)33-21)19(12-20(18)27)26(28,29)30/h3-14,37H,1-2H3,(H,32,38)
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Merck Sharp & Dohme Corp

US Patent


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


US Patent US9862707 (2018)


BindingDB Entry DOI: 10.7270/Q2FB5576
More data for this
Ligand-Target Pair
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