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Compile Data Set for Download or QSAR

Found 1856 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)
BDBM164944
PNG
(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 US9067914 (2015)


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


(Homo Sapiens)
BDBM164930
PNG
(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 US9067914 (2015)


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


(Homo Sapiens)
BDBM164929
PNG
(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 US9067914 (2015)


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


(Homo Sapiens)
BDBM164928
PNG
(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 US9067914 (2015)


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


(Homo Sapiens)
BDBM164941
PNG
(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/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 US9067914 (2015)


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


(Homo Sapiens)
BDBM127782
PNG
(US8791123, 155)
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 US8791123 (2014)


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


(Homo Sapiens)
BDBM164942
PNG
(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 US9067914 (2015)


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


(Homo Sapiens)
BDBM164943
PNG
(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 US9067914 (2015)


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


(Homo Sapiens)
BDBM164945
PNG
(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
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)
BDBM164956
PNG
(US9067914, Ex. 3-49-6a)
Show SMILES COc1cc(ccc1OCc1ccc(cc1)C(F)(F)F)[C@H](C)n1c(N)nc2cc(cnc12)-c1cnn(C)c1
Show InChI InChI=1S/C27H25F3N6O2/c1-16(36-25-22(34-26(36)31)10-19(12-32-25)20-13-33-35(2)14-20)18-6-9-23(24(11-18)37-3)38-15-17-4-7-21(8-5-17)27(28,29)30/h4-14,16H,15H2,1-3H3,(H2,31,34)/t16-/m0/s1
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n/an/a 0.300n/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 US9067914 (2015)


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


(Homo Sapiens)
BDBM164885
PNG
(US9067914, Ex. 3-1)
Show SMILES COc1ccc(COc2ccc(Cn3c(N)nc4cc(ccc34)-c3cnn(C)c3)cc2OC)cc1
Show InChI InChI=1S/C27H27N5O3/c1-31-16-21(14-29-31)20-7-10-24-23(13-20)30-27(28)32(24)15-19-6-11-25(26(12-19)34-3)35-17-18-4-8-22(33-2)9-5-18/h4-14,16H,15,17H2,1-3H3,(H2,28,30)
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n/an/a 0.300n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human TrkA cytoplasmic domain (436 to 790 amino acids) pre-incubated for 15 mins before peptide substrate additio...


J Med Chem 60: 66-88 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00964
BindingDB Entry DOI: 10.7270/Q2C24ZCR
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo Sapiens)
BDBM164940
PNG
(US9067914, Ex. 3-39)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(cc1)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C27H23F5N6O2/c1-37-14-19(12-35-37)18-10-21-24(34-11-18)38(25(33)36-21)13-17-5-8-22(23(9-17)39-2)40-15-16-3-6-20(7-4-16)26(28,29)27(30,31)32/h3-12,14H,13,15H2,1-2H3,(H2,33,36)
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n/an/a 0.300n/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 US9067914 (2015)


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


(Homo Sapiens)
BDBM164901
PNG
(US9067914, Ex. 3-15)
Show SMILES COc1ccc(COc2ccc(Cn3c(N)nc4cc(cnc34)-c3cnn(C)c3)cc2OC)cc1
Show InChI InChI=1S/C26H26N6O3/c1-31-15-20(13-29-31)19-11-22-25(28-12-19)32(26(27)30-22)14-18-6-9-23(24(10-18)34-3)35-16-17-4-7-21(33-2)8-5-17/h4-13,15H,14,16H2,1-3H3,(H2,27,30)
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n/an/a 0.300n/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 US9067914 (2015)


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


(Homo Sapiens)
BDBM127652
PNG
(US8791123, 25)
Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NCCc3cnc[nH]3)c2n1
Show InChI InChI=1S/C22H21F2N7O/c23-14-3-4-18(24)16(10-14)19-2-1-8-30(19)20-6-9-31-21(29-20)17(12-28-31)22(32)26-7-5-15-11-25-13-27-15/h3-4,6,9-13,19H,1-2,5,7-8H2,(H,25,27)(H,26,32)/t19-/m1/s1
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n/an/a 0.400n/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 US8791123 (2014)


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


(Homo Sapiens)
BDBM249335
PNG
(US9463192, 15-96)
Show SMILES CS(=O)(=O)c1ccc(cc1NC(=O)Nc1cnc(Oc2ccc(cc2)-c2cc(F)cnc2N)nc1)C(F)(F)F
Show InChI InChI=1S/C24H18F4N6O4S/c1-39(36,37)20-7-4-14(24(26,27)28)8-19(20)34-22(35)33-16-11-31-23(32-12-16)38-17-5-2-13(3-6-17)18-9-15(25)10-30-21(18)29/h2-12H,1H3,(H2,29,30)(H2,33,34,35)
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n/an/a 0.400n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
On the day before the assay, CellSenser TrkA-NFAT-bla CHO-K1 cells were suspended in an assay medium (Opti-MEM1 Reduced Serum Medium (Invitrogen) con...


US Patent US9463192 (2016)


BindingDB Entry DOI: 10.7270/Q22Z14FR
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo Sapiens)
BDBM164962
PNG
(US9067914, Ex. 3-53)
Show SMILES COc1cc(ccc1OCc1ccc(nc1)C(F)(F)F)C(C)n1c(N)nc2cc(cnc12)-c1cnn(C)c1
Show InChI InChI=1S/C26H24F3N7O2/c1-15(36-24-20(34-25(36)30)8-18(11-32-24)19-12-33-35(2)13-19)17-5-6-21(22(9-17)37-3)38-14-16-4-7-23(31-10-16)26(27,28)29/h4-13,15H,14H2,1-3H3,(H2,30,34)
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n/an/a 0.400n/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 US9067914 (2015)


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


(Homo Sapiens)
BDBM127634
PNG
(US8791123, 7)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F
Show InChI InChI=1S/C23H25F2N5O2/c24-14-3-8-19(25)17(12-14)20-2-1-10-29(20)21-9-11-30-22(28-21)18(13-26-30)23(32)27-15-4-6-16(31)7-5-15/h3,8-9,11-13,15-16,20,31H,1-2,4-7,10H2,(H,27,32)/t15-,16-,20-/m1/s1
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n/an/a 0.450n/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 US8791123 (2014)


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


(Homo Sapiens)
BDBM164931
PNG
(US9067914, Ex. 3-35-5)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1csc(C)n1
Show InChI InChI=1S/C23H23N7O2S/c1-14-27-18(13-33-14)12-32-20-5-4-15(6-21(20)31-3)10-30-22-19(28-23(30)24)7-16(8-25-22)17-9-26-29(2)11-17/h4-9,11,13H,10,12H2,1-3H3,(H2,24,28)
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n/an/a 0.5n/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 US9067914 (2015)


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


(Homo Sapiens)
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of TRKA (unknown origin) incubated for 1 hr by spectrophotometric analysis


Bioorg Med Chem 24: 3483-93 (2016)


Article DOI: 10.1016/j.bmc.2016.05.057
BindingDB Entry DOI: 10.7270/Q29G5PQT
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo Sapiens)
BDBM127640
PNG
(US8791123, 13)
Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1
Show InChI InChI=1S/C20H19F2N5O/c21-12-3-6-16(22)14(10-12)17-2-1-8-26(17)18-7-9-27-19(25-18)15(11-23-27)20(28)24-13-4-5-13/h3,6-7,9-11,13,17H,1-2,4-5,8H2,(H,24,28)/t17-/m1/s1
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n/an/a 0.5n/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 US8791123 (2014)


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


(Homo Sapiens)
BDBM164902
PNG
(US9067914, Ex. 3-16)
Show SMILES COc1ccc(COc2ccc(Cn3c(N)nc4cc(cnc34)-c3ccc(nc3)P(C)(C)=O)cc2OC)cc1
Show InChI InChI=1S/C29H30N5O4P/c1-36-23-9-5-19(6-10-23)18-38-25-11-7-20(13-26(25)37-2)17-34-28-24(33-29(34)30)14-22(16-32-28)21-8-12-27(31-15-21)39(3,4)35/h5-16H,17-18H2,1-4H3,(H2,30,33)
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n/an/a 0.5n/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 US9067914 (2015)


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


(Homo Sapiens)
BDBM249337
PNG
(US9463192, 15-104)
Show SMILES CS(=O)(=O)c1ccc(cc1NC(=O)Nc1cnc(Oc2ccc(cc2)-c2cc(Cl)cnc2N)nc1)C(F)(F)F
Show InChI InChI=1S/C24H18ClF3N6O4S/c1-39(36,37)20-7-4-14(24(26,27)28)8-19(20)34-22(35)33-16-11-31-23(32-12-16)38-17-5-2-13(3-6-17)18-9-15(25)10-30-21(18)29/h2-12H,1H3,(H2,29,30)(H2,33,34,35)
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n/an/a 0.5n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
On the day before the assay, CellSenser TrkA-NFAT-bla CHO-K1 cells were suspended in an assay medium (Opti-MEM1 Reduced Serum Medium (Invitrogen) con...


US Patent US9463192 (2016)


BindingDB Entry DOI: 10.7270/Q22Z14FR
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo Sapiens)
BDBM127641
PNG
(US8791123, 14)
Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCC3)c2n1
Show InChI InChI=1S/C21H21F2N5O/c22-13-6-7-17(23)15(11-13)18-5-2-9-27(18)19-8-10-28-20(26-19)16(12-24-28)21(29)25-14-3-1-4-14/h6-8,10-12,14,18H,1-5,9H2,(H,25,29)/t18-/m1/s1
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n/an/a 0.550n/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 US8791123 (2014)


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


(Homo Sapiens)
BDBM127693
PNG
(US8791123, 66)
Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NOCC3CC3)c2n1
Show InChI InChI=1S/C21H21F2N5O2/c22-14-5-6-17(23)15(10-14)18-2-1-8-27(18)19-7-9-28-20(25-19)16(11-24-28)21(29)26-30-12-13-3-4-13/h5-7,9-11,13,18H,1-4,8,12H2,(H,26,29)/t18-/m1/s1
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n/an/a 0.570n/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 US8791123 (2014)


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


(Homo Sapiens)
BDBM127647
PNG
(US8791123, 20)
Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCOCC3)c2n1
Show InChI InChI=1S/C22H23F2N5O2/c23-14-3-4-18(24)16(12-14)19-2-1-8-28(19)20-5-9-29-21(27-20)17(13-25-29)22(30)26-15-6-10-31-11-7-15/h3-5,9,12-13,15,19H,1-2,6-8,10-11H2,(H,26,30)/t19-/m1/s1
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n/an/a 0.600n/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 US8791123 (2014)


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


(Homo Sapiens)
BDBM127692
PNG
(US8791123, 65)
Show SMILES CONC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F
Show InChI InChI=1S/C18H17F2N5O2/c1-27-23-18(26)13-10-21-25-8-6-16(22-17(13)25)24-7-2-3-15(24)12-9-11(19)4-5-14(12)20/h4-6,8-10,15H,2-3,7H2,1H3,(H,23,26)/t15-/m1/s1
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n/an/a 0.600n/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 US8791123 (2014)


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


(Homo Sapiens)
BDBM127675
PNG
(US8791123, 48)
Show SMILES OCc1ccc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1
Show InChI InChI=1S/C21H22FN5O2/c22-14-4-3-13(12-28)16(10-14)18-2-1-8-26(18)19-7-9-27-20(25-19)17(11-23-27)21(29)24-15-5-6-15/h3-4,7,9-11,15,18,28H,1-2,5-6,8,12H2,(H,24,29)
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n/an/a 0.600n/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 US8791123 (2014)


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


(Homo Sapiens)
BDBM50229083
PNG
(2-amino-1-(4-(5-(2-(6-bromopyridin-2-ylamino)thiaz...)
Show SMILES Cc1ccc(Sc2cnc(Nc3cccc(Br)n3)s2)cc1C(=O)N1CCN(CC1)C(=O)CN
Show InChI InChI=1S/C22H23BrN6O2S2/c1-14-5-6-15(11-16(14)21(31)29-9-7-28(8-10-29)19(30)12-24)32-20-13-25-22(33-20)27-18-4-2-3-17(23)26-18/h2-6,11,13H,7-10,12,24H2,1H3,(H,25,26,27)
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PubMed
n/an/a 0.600n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of TrkA


Bioorg Med Chem Lett 18: 634-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.076
BindingDB Entry DOI: 10.7270/Q2JD4WJ5
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo Sapiens)
BDBM164927
PNG
(US9067914, Ex. 3-35-1)
Show SMILES COc1ccc(COc2ccc(Cn3c(N)nc4cc(cnc34)-c3cnn(C)c3)cc2OC)cn1
Show InChI InChI=1S/C25H25N7O3/c1-31-14-19(12-29-31)18-9-20-24(28-11-18)32(25(26)30-20)13-16-4-6-21(22(8-16)33-2)35-15-17-5-7-23(34-3)27-10-17/h4-12,14H,13,15H2,1-3H3,(H2,26,30)
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n/an/a 0.600n/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 US9067914 (2015)


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


(Homo Sapiens)
BDBM127642
PNG
(US8791123, 15)
Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC4CCC3C4)c2n1
Show InChI InChI=1S/C24H25F2N5O/c25-16-5-6-19(26)17(12-16)21-2-1-8-30(21)22-7-9-31-23(29-22)18(13-27-31)24(32)28-20-11-14-3-4-15(20)10-14/h5-7,9,12-15,20-21H,1-4,8,10-11H2,(H,28,32)/t14?,15?,20-,21+/m0/s1
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n/an/a 0.600n/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 US8791123 (2014)


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


(Homo Sapiens)
BDBM30547
PNG
(US8846698, 583)
Show SMILES Nc1ncc2c(cn(c2n1)C12CC(C1)C2)C(=O)c1cncc(NC(=O)Cc2ccc(Cl)cn2)c1
Show InChI InChI=1S/C24H20ClN7O2/c25-15-1-2-16(28-9-15)4-20(33)30-17-3-14(8-27-10-17)21(34)19-12-32(24-5-13(6-24)7-24)22-18(19)11-29-23(26)31-22/h1-3,8-13H,4-7H2,(H,30,33)(H2,26,29,31)
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n/an/a 0.681n/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
Isolated TRK Enzyme assays use the HTRF KinEASE-TK kit (Cisbio Cat# 62TK0PEJ) with recombinant His-tagged cytoplasmic domains of each TRK receptor so...


US Patent US8846698 (2014)


BindingDB Entry DOI: 10.7270/Q2F47MTW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo Sapiens)
BDBM249345
PNG
(US9463192, 21-65)
Show SMILES Cc1ccn2ncc(-c3ccc(Oc4ncc(NC(=O)Nc5cc(ccc5-c5cccnc5)C(F)(F)F)cn4)cc3)c2n1
Show InChI InChI=1S/C30H21F3N8O2/c1-18-10-12-41-27(38-18)25(17-37-41)19-4-7-23(8-5-19)43-29-35-15-22(16-36-29)39-28(42)40-26-13-21(30(31,32)33)6-9-24(26)20-3-2-11-34-14-20/h2-17H,1H3,(H2,39,40,42)
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n/an/a 0.700n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
On the day before the assay, CellSenser TrkA-NFAT-bla CHO-K1 cells were suspended in an assay medium (Opti-MEM1 Reduced Serum Medium (Invitrogen) con...


US Patent US9463192 (2016)


BindingDB Entry DOI: 10.7270/Q22Z14FR
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo Sapiens)
BDBM127629
PNG
(US8791123, 2)
Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3ccccn3)c2n1
Show InChI InChI=1S/C22H18F2N6O/c23-14-6-7-17(24)15(12-14)18-4-3-10-29(18)20-8-11-30-21(28-20)16(13-26-30)22(31)27-19-5-1-2-9-25-19/h1-2,5-9,11-13,18H,3-4,10H2,(H,25,27,31)/t18-/m1/s1
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n/an/a 0.700n/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 US8791123 (2014)


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


(Homo Sapiens)
BDBM127666
PNG
(US8791123, 39)
Show SMILES Fc1ccc(F)c(c1)C1CCCN1c1ccn2ncc(C(=O)NCC#N)c2n1
Show InChI InChI=1S/C19H16F2N6O/c20-12-3-4-15(21)13(10-12)16-2-1-8-26(16)17-5-9-27-18(25-17)14(11-24-27)19(28)23-7-6-22/h3-5,9-11,16H,1-2,7-8H2,(H,23,28)
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n/an/a 0.700n/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 US8791123 (2014)


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


(Homo Sapiens)
BDBM127628
PNG
(US8791123, 1)
Show SMILES CC(C)(C)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F
Show InChI InChI=1S/C21H23F2N5O/c1-21(2,3)26-20(29)15-12-24-28-10-8-18(25-19(15)28)27-9-4-5-17(27)14-11-13(22)6-7-16(14)23/h6-8,10-12,17H,4-5,9H2,1-3H3,(H,26,29)/t17-/m1/s1
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n/an/a 0.700n/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 US8791123 (2014)


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


(Homo Sapiens)
BDBM249336
PNG
(US9463192, 15-98)
Show SMILES CS(=O)(=O)c1ccc(cc1NC(=O)Nc1cnc(Oc2ccc(cc2)-c2cc(cnc2N)C(F)(F)F)nc1)C(F)(F)F
Show InChI InChI=1S/C25H18F6N6O4S/c1-42(39,40)20-7-4-14(24(26,27)28)9-19(20)37-22(38)36-16-11-34-23(35-12-16)41-17-5-2-13(3-6-17)18-8-15(25(29,30)31)10-33-21(18)32/h2-12H,1H3,(H2,32,33)(H2,36,37,38)
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n/an/a 0.800n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
On the day before the assay, CellSenser TrkA-NFAT-bla CHO-K1 cells were suspended in an assay medium (Opti-MEM1 Reduced Serum Medium (Invitrogen) con...


US Patent US9463192 (2016)


BindingDB Entry DOI: 10.7270/Q22Z14FR
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo Sapiens)
BDBM127667
PNG
(US8791123, 40)
Show SMILES CC(C)(CF)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F
Show InChI InChI=1S/C21H22F3N5O/c1-21(2,12-22)27-20(30)15-11-25-29-9-7-18(26-19(15)29)28-8-3-4-17(28)14-10-13(23)5-6-16(14)24/h5-7,9-11,17H,3-4,8,12H2,1-2H3,(H,27,30)/t17-/m1/s1
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n/an/a 0.800n/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 US8791123 (2014)


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


(Homo Sapiens)
BDBM30449
PNG
(US8846698, 580)
Show SMILES Nc1ncc2c(cn(c2n1)C12CC(C1)C2)C(=O)c1cncc(NC(=O)Cn2ccc(n2)C(F)(F)F)c1
Show InChI InChI=1S/C23H19F3N8O2/c24-23(25,26)17-1-2-33(32-17)11-18(35)30-14-3-13(7-28-8-14)19(36)16-10-34(22-4-12(5-22)6-22)20-15(16)9-29-21(27)31-20/h1-3,7-10,12H,4-6,11H2,(H,30,35)(H2,27,29,31)
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n/an/a 0.825n/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
Isolated TRK Enzyme assays use the HTRF KinEASE-TK kit (Cisbio Cat# 62TK0PEJ) with recombinant His-tagged cytoplasmic domains of each TRK receptor so...


US Patent US8846698 (2014)


BindingDB Entry DOI: 10.7270/Q2F47MTW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo Sapiens)
BDBM50193395
PNG
(ALTIRATINIB | Altiratinib | DCC-2701 | DP-5164)
Show SMILES Fc1ccc(NC(=O)C2(CC2)C(=O)Nc2cc(F)c(Oc3ccnc(NC(=O)C4CC4)c3)cc2F)cc1
Show InChI InChI=1S/C26H21F3N4O4/c27-15-3-5-16(6-4-15)31-24(35)26(8-9-26)25(36)32-20-12-19(29)21(13-18(20)28)37-17-7-10-30-22(11-17)33-23(34)14-1-2-14/h3-7,10-14H,1-2,8-9H2,(H,31,35)(H,32,36)(H,30,33,34)
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PubMed
n/an/a 0.850n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of TrkA (unknown origin)


J Med Chem 59: 8712-8756 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00472
BindingDB Entry DOI: 10.7270/Q29G5PR8
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo Sapiens)
BDBM127643
PNG
(US8791123, 16)
Show SMILES OCC1(CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F
Show InChI InChI=1S/C21H21F2N5O2/c22-13-3-4-16(23)14(10-13)17-2-1-8-27(17)18-5-9-28-19(25-18)15(11-24-28)20(30)26-21(12-29)6-7-21/h3-5,9-11,17,29H,1-2,6-8,12H2,(H,26,30)/t17-/m1/s1
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n/an/a 0.900n/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 US8791123 (2014)


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


(Homo Sapiens)
BDBM164912
PNG
(US9067914, Ex. 3-20)
Show SMILES COc1cc(Cn2cnc3cc(cnc23)-c2cnn(c2)C2CCNCC2)ccc1OCc1ccc(C)nc1
Show InChI InChI=1S/C29H31N7O2/c1-20-3-4-22(13-31-20)18-38-27-6-5-21(11-28(27)37-2)16-35-19-33-26-12-23(14-32-29(26)35)24-15-34-36(17-24)25-7-9-30-10-8-25/h3-6,11-15,17,19,25,30H,7-10,16,18H2,1-2H3
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n/an/a 0.900n/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 US9067914 (2015)


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


(Homo Sapiens)
BDBM127796
PNG
(US8791123, 169)
Show SMILES O[C@H]1CC[C@@H](C1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F
Show InChI InChI=1S/C22H23F2N5O2/c23-13-3-6-18(24)16(10-13)19-2-1-8-28(19)20-7-9-29-21(27-20)17(12-25-29)22(31)26-14-4-5-15(30)11-14/h3,6-7,9-10,12,14-15,19,30H,1-2,4-5,8,11H2,(H,26,31)/t14-,15-,19+/m0/s1
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n/an/a 0.900n/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 US8791123 (2014)


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


(Homo Sapiens)
BDBM127767
PNG
(US8791123, 140)
Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC[C@H](O)CC3)c2n1
Show InChI InChI=1S/C23H27FN6O3/c1-33-23-17(11-14(24)12-25-23)19-3-2-9-29(19)20-8-10-30-21(28-20)18(13-26-30)22(32)27-15-4-6-16(31)7-5-15/h8,10-13,15-16,19,31H,2-7,9H2,1H3,(H,27,32)/t15?,16-,19-/m1/s1
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n/an/a 0.900n/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 US8791123 (2014)


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


(Homo Sapiens)
BDBM127632
PNG
(US8791123, 5)
Show SMILES Cc1ccc(CNC(=O)c2cnn3ccc(nc23)N2CCC[C@@H]2c2cc(F)ccc2F)o1
Show InChI InChI=1S/C23H21F2N5O2/c1-14-4-6-16(32-14)12-26-23(31)18-13-27-30-10-8-21(28-22(18)30)29-9-2-3-20(29)17-11-15(24)5-7-19(17)25/h4-8,10-11,13,20H,2-3,9,12H2,1H3,(H,26,31)/t20-/m1/s1
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n/an/a 0.950n/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 US8791123 (2014)


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


(Homo Sapiens)
BDBM127717
PNG
(US8791123, 90)
Show SMILES COCCOc1ccc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1
Show InChI InChI=1S/C23H26FN5O3/c1-31-11-12-32-20-7-4-15(24)13-17(20)19-3-2-9-28(19)21-8-10-29-22(27-21)18(14-25-29)23(30)26-16-5-6-16/h4,7-8,10,13-14,16,19H,2-3,5-6,9,11-12H2,1H3,(H,26,30)/t19-/m1/s1
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n/an/a 0.950n/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 US8791123 (2014)


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


(Homo Sapiens)
BDBM127631
PNG
(US8791123, 4)
Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NCCN3CCOCC3)c2n1
Show InChI InChI=1S/C23H26F2N6O2/c24-16-3-4-19(25)17(14-16)20-2-1-7-30(20)21-5-8-31-22(28-21)18(15-27-31)23(32)26-6-9-29-10-12-33-13-11-29/h3-5,8,14-15,20H,1-2,6-7,9-13H2,(H,26,32)/t20-/m1/s1
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n/an/a 0.950n/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 US8791123 (2014)


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


(Homo Sapiens)
BDBM164911
PNG
(US9067914, Ex. 3-19)
Show SMILES COc1ccc(COc2ccc(Cn3cnc4cc(cnc34)-c3cnn(c3)C3CCNCC3)cc2OC)cn1
Show InChI InChI=1S/C29H31N7O3/c1-37-27-11-20(3-5-26(27)39-18-21-4-6-28(38-2)31-13-21)16-35-19-33-25-12-22(14-32-29(25)35)23-15-34-36(17-23)24-7-9-30-10-8-24/h3-6,11-15,17,19,24,30H,7-10,16,18H2,1-2H3
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n/an/a 1n/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 US9067914 (2015)


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


(Homo Sapiens)
BDBM249356
PNG
(US9463192, 22-9)
Show SMILES COc1ccc2ncc(-c3ccc(Oc4ncc(NC(=O)Nc5cc(ccc5-n5cccn5)C(F)(F)F)cn4)cc3)n2n1
Show InChI InChI=1S/C28H20F3N9O3/c1-42-25-10-9-24-32-16-23(40(24)38-25)17-3-6-20(7-4-17)43-27-33-14-19(15-34-27)36-26(41)37-21-13-18(28(29,30)31)5-8-22(21)39-12-2-11-35-39/h2-16H,1H3,(H2,36,37,41)
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n/an/a 1n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
On the day before the assay, CellSenser TrkA-NFAT-bla CHO-K1 cells were suspended in an assay medium (Opti-MEM1 Reduced Serum Medium (Invitrogen) con...


US Patent US9463192 (2016)


BindingDB Entry DOI: 10.7270/Q22Z14FR
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo Sapiens)
BDBM164964
PNG
(US9067914, Ex. 3-55)
Show SMILES COc1cc(ccc1OCc1ccc(nc1)C(F)(F)F)C(C)n1c(N)nc2cc(cnc12)C#CCCO
Show InChI InChI=1S/C26H24F3N5O3/c1-16(34-24-20(33-25(34)30)11-17(13-32-24)5-3-4-10-35)19-7-8-21(22(12-19)36-2)37-15-18-6-9-23(31-14-18)26(27,28)29/h6-9,11-14,16,35H,4,10,15H2,1-2H3,(H2,30,33)
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n/an/a 1n/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 US9067914 (2015)


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


(Homo Sapiens)
BDBM50306682
PNG
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
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n/an/a<1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TRKA


J Med Chem 54: 6342-63 (2011)


Article DOI: 10.1021/jm2007613
BindingDB Entry DOI: 10.7270/Q2Q52Q09
More data for this
Ligand-Target Pair
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