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Patent code US9862707

Compile Data Set for Download or QSAR
Found 103 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))
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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UniChem
US Patent
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)

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=1/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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UniChem
US Patent
n/an/a 0.25n/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)

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=1/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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UniChem
US Patent
n/an/a 0.480n/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)

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


(Homo sapiens (Human))
BDBM364499
PNG
(US9862707, Example 74)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2n(nc3cc(ccc23)C(N)=O)-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C26H18F4N6O2/c1-35-10-9-21(33-35)17-12-18(20(27)13-19(17)26(28,29)30)25(38)32-24-16-8-7-14(23(31)37)11-22(16)34-36(24)15-5-3-2-4-6-15/h2-13H,1H3,(H2,31,37)(H,32,38)
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UniChem
US Patent
n/an/a 0.570n/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)

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


(Homo sapiens (Human))
BDBM364512
PNG
(3-({[2-fluoro-5-(1-methyl-1H- pyrazol-3-yl)-4- (tr...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2n(nc3cc(cnc23)C(N)=O)-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C25H17F4N7O2/c1-35-8-7-19(33-35)15-10-16(18(26)11-17(15)25(27,28)29)24(38)32-23-21-20(9-13(12-31-21)22(30)37)34-36(23)14-5-3-2-4-6-14/h2-12H,1H3,(H2,30,37)(H,32,38)
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PC sid
UniChem
US Patent
n/an/a 0.630n/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)

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


(Homo sapiens (Human))
BDBM364520
PNG
(US9862707, Example 95)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2n(nc3c(CC(N)=O)cccc23)-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C27H20F4N6O2/c1-36-11-10-22(34-36)18-13-19(21(28)14-20(18)27(29,30)31)26(39)33-25-17-9-5-6-15(12-23(32)38)24(17)35-37(25)16-7-3-2-4-8-16/h2-11,13-14H,12H2,1H3,(H2,32,38)(H,33,39)
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UniChem
US Patent
n/an/a 0.640n/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)

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


(Homo sapiens (Human))
BDBM364431
PNG
(2-fluoro-5-(1-methyl-1H-pyrazol-3- yl)-N-(2-phenyl...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2n(nc3cccnc23)-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C24H16F4N6O/c1-33-11-9-19(31-33)15-12-16(18(25)13-17(15)24(26,27)28)23(35)30-22-21-20(8-5-10-29-21)32-34(22)14-6-3-2-4-7-14/h2-13H,1H3,(H,30,35)
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UniChem
US Patent
n/an/a 0.660n/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)

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


(Homo sapiens (Human))
BDBM364447
PNG
(US9862707, Example 21 | US9862707, Example 22)
Show SMILES CC(O)c1cnc2c(NC(=O)c3cc(-c4cc[nH]n4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1/C25H18F4N6O2/c1-13(36)14-9-21-22(30-12-14)23(35(34-21)15-5-3-2-4-6-15)32-24(37)17-10-16(20-7-8-31-33-20)18(11-19(17)26)25(27,28)29/h2-13,36H,1H3,(H,31,33)(H,32,37)
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UniChem
US Patent
n/an/a 0.690n/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)

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


(Homo sapiens (Human))
BDBM364480
PNG
((R or S)-2-fluoro-N-(2-phenyl-5- (2,2,2-trifluoro-...)
Show SMILES OC(c1ccc2nn(c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)c2c1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1/C27H16F7N5O2/c28-20-13-19(26(29,30)31)16(23-35-9-4-10-36-23)12-17(20)25(41)37-24-18-11-14(22(40)27(32,33)34)7-8-21(18)38-39(24)15-5-2-1-3-6-15/h1-13,22,40H,(H,37,41)
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UniChem
US Patent
n/an/a 0.820n/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)

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


(Homo sapiens (Human))
BDBM364436
PNG
(US9862707, Example 10)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1n(nc2ccc(CO)cc12)-c1ccccc1
Show InChI InChI=1S/C26H20F3N5O2/c1-33-12-11-23(31-33)19-14-17(8-9-21(19)26(27,28)29)25(36)30-24-20-13-16(15-35)7-10-22(20)32-34(24)18-5-3-2-4-6-18/h2-14,35H,15H2,1H3,(H,30,36)
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UniChem
US Patent
n/an/a 0.840n/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)

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


(Homo sapiens (Human))
BDBM364524
PNG
(N-(7-((2,5-dioxoimidazolidin-1- yl)methyl)-2-pheny...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2n(nc3c(CN4C(=O)CNC4=O)ccnc23)-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C28H20F4N8O3/c1-38-10-8-21(36-38)17-11-18(20(29)12-19(17)28(30,31)32)26(42)35-25-24-23(37-40(25)16-5-3-2-4-6-16)15(7-9-33-24)14-39-22(41)13-34-27(39)43/h2-12H,13-14H2,1H3,(H,34,43)(H,35,42)
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UniChem
US Patent
n/an/a 0.880n/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)

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


(Homo sapiens (Human))
BDBM364455
PNG
((R or S)-2-fluoro-N-[6-(1- hydroxyethyl)-2-phenyl-...)
Show SMILES CC(O)c1cnc2c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1/C26H18F4N6O2/c1-14(37)15-10-21-22(33-13-15)24(36(35-21)16-6-3-2-4-7-16)34-25(38)18-11-17(23-31-8-5-9-32-23)19(12-20(18)27)26(28,29)30/h2-14,37H,1H3,(H,34,38)
PDB
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UniChem
US Patent
n/an/a 1.10n/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)

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


(Homo sapiens (Human))
BDBM364447
PNG
(US9862707, Example 21 | US9862707, Example 22)
Show SMILES CC(O)c1cnc2c(NC(=O)c3cc(-c4cc[nH]n4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1/C25H18F4N6O2/c1-13(36)14-9-21-22(30-12-14)23(35(34-21)15-5-3-2-4-6-15)32-24(37)17-10-16(20-7-8-31-33-20)18(11-19(17)26)25(27,28)29/h2-13,36H,1H3,(H,31,33)(H,32,37)
PDB
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UniChem
US Patent
n/an/a 1.20n/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)

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


(Homo sapiens (Human))
BDBM364440
PNG
(2-fluoro-N-[6-(hydroxymethyl)-2- phenyl-2H-indazol...)
Show SMILES OCc1ccc2c(NC(=O)c3cc(-c4cc[nH]n4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1S/C25H17F4N5O2/c26-20-12-19(25(27,28)29)17(21-8-9-30-32-21)11-18(20)24(36)31-23-16-7-6-14(13-35)10-22(16)33-34(23)15-4-2-1-3-5-15/h1-12,35H,13H2,(H,30,32)(H,31,36)
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PC sid
UniChem
US Patent
n/an/a 1.20n/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)

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


(Homo sapiens (Human))
BDBM364502
PNG
(US9862707, Example 77)
Show SMILES Cc1ccccc1-n1nc2cc(ccc2c1NC(=O)c1cc(-c2ccn(C)n2)c(cc1F)C(F)(F)F)C(N)=O
Show InChI InChI=1S/C27H20F4N6O2/c1-14-5-3-4-6-23(14)37-25(16-8-7-15(24(32)38)11-22(16)35-37)33-26(39)18-12-17(21-9-10-36(2)34-21)19(13-20(18)28)27(29,30)31/h3-13H,1-2H3,(H2,32,38)(H,33,39)
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UniChem
US Patent
n/an/a 1.30n/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)

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


(Homo sapiens (Human))
BDBM364476
PNG
(US9862707, Example 50)
Show SMILES OC1(CC1)c1cnc2c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1S/C27H18F4N6O2/c28-20-13-19(27(29,30)31)17(23-32-9-4-10-33-23)12-18(20)25(38)35-24-22-21(11-15(14-34-22)26(39)7-8-26)36-37(24)16-5-2-1-3-6-16/h1-6,9-14,39H,7-8H2,(H,35,38)
PDB
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US Patent
n/an/a 1.60n/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)

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


(Homo sapiens (Human))
BDBM364472
PNG
(2-chloro-N-[6-(1-hydroxy-1- methylethyl)-2-phenyl-...)
Show SMILES CC(C)(O)c1ccc2c(NC(=O)c3cc(-c4ncccn4)c(cc3Cl)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1S/C28H21ClF3N5O2/c1-27(2,39)16-9-10-18-23(13-16)36-37(17-7-4-3-5-8-17)25(18)35-26(38)20-14-19(24-33-11-6-12-34-24)21(15-22(20)29)28(30,31)32/h3-15,39H,1-2H3,(H,35,38)
PDB
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UniChem
US Patent
n/an/a 1.70n/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)

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


(Homo sapiens (Human))
BDBM364461
PNG
((R or S)-2-chloro-N-[6-(1- hydroxyethyl)-2-phenyl-...)
Show SMILES CC(O)c1cnc2c(NC(=O)c3cc(-c4ncccn4)c(cc3Cl)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1/C26H18ClF3N6O2/c1-14(37)15-10-21-22(33-13-15)24(36(35-21)16-6-3-2-4-7-16)34-25(38)18-11-17(23-31-8-5-9-32-23)19(12-20(18)27)26(28,29)30/h2-14,37H,1H3,(H,34,38)
PDB
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UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 1.70n/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)

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


(Homo sapiens (Human))
BDBM364526
PNG
(US9862707, Example 101)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1n(nc2cc(ccc12)[C@H](N)C(F)(F)F)-c1ccccc1
Show InChI InChI=1/C27H20F6N6O/c1-38-12-11-21(36-38)19-13-16(8-10-20(19)26(28,29)30)25(40)35-24-18-9-7-15(23(34)27(31,32)33)14-22(18)37-39(24)17-5-3-2-4-6-17/h2-14,23H,34H2,1H3,(H,35,40)/t23-/s2
PDB
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UniChem
US Patent
n/an/a 1.80n/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)

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


(Homo sapiens (Human))
BDBM364496
PNG
(N-[6-(aminomethyl)-2-phenyl-2H- indazol-3-yl]-2-fl...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2n(nc3cc(CN)ccc23)-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C26H20F4N6O/c1-35-10-9-22(33-35)18-12-19(21(27)13-20(18)26(28,29)30)25(37)32-24-17-8-7-15(14-31)11-23(17)34-36(24)16-5-3-2-4-6-16/h2-13H,14,31H2,1H3,(H,32,37)
PDB
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UniChem
US Patent
n/an/a 1.80n/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)

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


(Homo sapiens (Human))
BDBM364455
PNG
((R or S)-2-fluoro-N-[6-(1- hydroxyethyl)-2-phenyl-...)
Show SMILES CC(O)c1cnc2c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1/C26H18F4N6O2/c1-14(37)15-10-21-22(33-13-15)24(36(35-21)16-6-3-2-4-7-16)34-25(38)18-11-17(23-31-8-5-9-32-23)19(12-20(18)27)26(28,29)30/h2-14,37H,1H3,(H,34,38)
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n/an/a 1.80n/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)

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


(Homo sapiens (Human))
BDBM364445
PNG
(US9862707, Example 19 | US9862707, Example 20)
Show SMILES CC(O)c1ccc2c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1/C27H19F4N5O2/c1-15(37)16-8-9-18-23(12-16)35-36(17-6-3-2-4-7-17)25(18)34-26(38)20-13-19(24-32-10-5-11-33-24)21(14-22(20)28)27(29,30)31/h2-15,37H,1H3,(H,34,38)
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n/an/a 1.90n/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)

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


(Homo sapiens (Human))
BDBM364444
PNG
(2-fluoro-N-[5-(hydroxymethyl)-2- phenyl-2H-pyrazol...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2n(nc3cnc(CO)cc23)-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C25H18F4N6O2/c1-34-8-7-21(32-34)16-10-17(20(26)11-19(16)25(27,28)29)24(37)31-23-18-9-14(13-36)30-12-22(18)33-35(23)15-5-3-2-4-6-15/h2-12,36H,13H2,1H3,(H,31,37)
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n/an/a 1.90n/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)

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


(Homo sapiens (Human))
BDBM364486
PNG
(US9862707, Example 60)
Show SMILES OCCc1ccc2c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1S/C27H19F4N5O2/c28-22-15-21(27(29,30)31)19(24-32-10-4-11-33-24)14-20(22)26(38)34-25-18-8-7-16(9-12-37)13-23(18)35-36(25)17-5-2-1-3-6-17/h1-8,10-11,13-15,37H,9,12H2,(H,34,38)
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n/an/a 2.20n/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)

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


(Homo sapiens (Human))
BDBM364461
PNG
((R or S)-2-chloro-N-[6-(1- hydroxyethyl)-2-phenyl-...)
Show SMILES CC(O)c1cnc2c(NC(=O)c3cc(-c4ncccn4)c(cc3Cl)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1/C26H18ClF3N6O2/c1-14(37)15-10-21-22(33-13-15)24(36(35-21)16-6-3-2-4-7-16)34-25(38)18-11-17(23-31-8-5-9-32-23)19(12-20(18)27)26(28,29)30/h2-14,37H,1H3,(H,34,38)
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n/an/a 2.40n/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)

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


(Homo sapiens (Human))
BDBM364449
PNG
((R or S)-N-[5-(1-hydroxyethyl)-2- phenyl-2H-indazo...)
Show SMILES CC(O)c1ccc2nn(c(NC(=O)c3ccc(c(c3)-c3ccn(C)n3)C(F)(F)F)c2c1)-c1ccccc1
Show InChI InChI=1/C27H22F3N5O2/c1-16(36)17-9-11-23-21(14-17)25(35(33-23)19-6-4-3-5-7-19)31-26(37)18-8-10-22(27(28,29)30)20(15-18)24-12-13-34(2)32-24/h3-16,36H,1-2H3,(H,31,37)
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n/an/a 2.40n/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)

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


(Homo sapiens (Human))
BDBM364473
PNG
(2-fluoro-N-[6-(1-hydroxy-1- methylethyl)-2-phenyl-...)
Show SMILES CC(C)(O)c1cnc2c(NC(=O)c3cc(-c4cc[nH]n4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1S/C26H20F4N6O2/c1-25(2,38)14-10-21-22(31-13-14)23(36(35-21)15-6-4-3-5-7-15)33-24(37)17-11-16(20-8-9-32-34-20)18(12-19(17)27)26(28,29)30/h3-13,38H,1-2H3,(H,32,34)(H,33,37)
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n/an/a 2.60n/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)

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


(Homo sapiens (Human))
BDBM364509
PNG
(3-({[2-fluoro-5-pyridin-2-yl-4- (trifluoromethyl)p...)
Show SMILES NC(=O)c1cnc2c(NC(=O)c3cc(-c4ccccn4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1S/C26H16F4N6O2/c27-19-12-18(26(28,29)30)16(20-8-4-5-9-32-20)11-17(19)25(38)34-24-22-21(10-14(13-33-22)23(31)37)35-36(24)15-6-2-1-3-7-15/h1-13H,(H2,31,37)(H,34,38)
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n/an/a 2.60n/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)

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


(Homo sapiens (Human))
BDBM364438
PNG
(2-fluoro-N-[5-(hydroxymethyl)-2- phenyl-2H-indazol...)
Show SMILES OCc1ccc2nn(c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)c2c1)-c1ccccc1
Show InChI InChI=1S/C26H17F4N5O2/c27-21-13-20(26(28,29)30)17(23-31-9-4-10-32-23)12-18(21)25(37)33-24-19-11-15(14-36)7-8-22(19)34-35(24)16-5-2-1-3-6-16/h1-13,36H,14H2,(H,33,37)
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n/an/a 2.60n/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)

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


(Homo sapiens (Human))
BDBM364507
PNG
(3-({[3-(1-methyl-1H-pyrazol-3-yl)- 4- (trifluorome...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1n(nc2cc(ccc12)C(N)=O)-c1ccccc1
Show InChI InChI=1S/C26H19F3N6O2/c1-34-12-11-21(32-34)19-13-16(8-10-20(19)26(27,28)29)25(37)31-24-18-9-7-15(23(30)36)14-22(18)33-35(24)17-5-3-2-4-6-17/h2-14H,1H3,(H2,30,36)(H,31,37)
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n/an/a 2.70n/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)

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


(Homo sapiens (Human))
BDBM364470
PNG
(US9862707, Example 44)
Show SMILES CC(C)(O)c1ccc2nn(c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)c2c1)-c1ccccc1
Show InChI InChI=1S/C28H21F4N5O2/c1-27(2,39)16-9-10-23-20(13-16)25(37(36-23)17-7-4-3-5-8-17)35-26(38)19-14-18(24-33-11-6-12-34-24)21(15-22(19)29)28(30,31)32/h3-15,39H,1-2H3,(H,35,38)
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n/an/a 2.70n/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)

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


(Homo sapiens (Human))
BDBM364525
PNG
(US9862707, Example 100)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1n(nc2cc(ccc12)[C@@H](N)C(F)(F)F)-c1ccccc1
Show InChI InChI=1/C27H20F6N6O/c1-38-12-11-21(36-38)19-13-16(8-10-20(19)26(28,29)30)25(40)35-24-18-9-7-15(23(34)27(31,32)33)14-22(18)37-39(24)17-5-3-2-4-6-17/h2-14,23H,34H2,1H3,(H,35,40)/t23-/s2
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n/an/a 2.70n/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)

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


(Homo sapiens (Human))
BDBM364478
PNG
(US9862707, Example 52 | US9862707, Example 53)
Show SMILES OC(c1ccc2c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1/C27H16F7N5O2/c28-20-13-19(26(29,30)31)17(23-35-9-4-10-36-23)12-18(20)25(41)37-24-16-8-7-14(22(40)27(32,33)34)11-21(16)38-39(24)15-5-2-1-3-6-15/h1-13,22,40H,(H,37,41)
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n/an/a 2.80n/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)

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


(Homo sapiens (Human))
BDBM364482
PNG
((R or S)-N-[6-(2,2-difluoro-1- hydroxyethyl)-2-phe...)
Show SMILES OC([H]C(F)F)c1ccc2c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1/C27H17F6N5O2/c28-20-13-19(27(31,32)33)17(24-34-9-4-10-35-24)12-18(20)26(40)36-25-16-8-7-14(22(39)23(29)30)11-21(16)37-38(25)15-5-2-1-3-6-15/h1-13,22-23,39H,(H,36,40)
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n/an/a 2.80n/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)

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


(Homo sapiens (Human))
BDBM364511
PNG
(3-({[3-(1-methyl-1H-pyrazol-3-yl)- 4- (trifluorome...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1n(nc2cc(cnc12)C(N)=O)-c1ccccc1
Show InChI InChI=1S/C25H18F3N7O2/c1-34-10-9-19(32-34)17-11-14(7-8-18(17)25(26,27)28)24(37)31-23-21-20(12-15(13-30-21)22(29)36)33-35(23)16-5-3-2-4-6-16/h2-13H,1H3,(H2,29,36)(H,31,37)
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n/an/a 2.80n/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)

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


(Homo sapiens (Human))
BDBM364506
PNG
(3-({[2-fluoro-5-pyridin-2-yl-4- (trifluoromethyl)p...)
Show SMILES NC(=O)c1ccc2c(NC(=O)c3cc(-c4ccccn4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1S/C27H17F4N5O2/c28-21-14-20(27(29,30)31)18(22-8-4-5-11-33-22)13-19(21)26(38)34-25-17-10-9-15(24(32)37)12-23(17)35-36(25)16-6-2-1-3-7-16/h1-14H,(H2,32,37)(H,34,38)
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n/an/a 2.90n/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)

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


(Homo sapiens (Human))
BDBM364445
PNG
(US9862707, Example 19 | US9862707, Example 20)
Show SMILES CC(O)c1ccc2c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1/C27H19F4N5O2/c1-15(37)16-8-9-18-23(12-16)35-36(17-6-3-2-4-7-17)25(18)34-26(38)20-13-19(24-32-10-5-11-33-24)21(14-22(20)28)27(29,30)31/h2-15,37H,1H3,(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 US9862707 (2018)

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


(Homo sapiens (Human))
BDBM364498
PNG
(US9862707, Example 73)
Show SMILES NC(=O)c1ccc2c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1S/C26H16F4N6O2/c27-20-13-19(26(28,29)30)17(23-32-9-4-10-33-23)12-18(20)25(38)34-24-16-8-7-14(22(31)37)11-21(16)35-36(24)15-5-2-1-3-6-15/h1-13H,(H2,31,37)(H,34,38)
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n/an/a 3.10n/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)

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


(Homo sapiens (Human))
BDBM364487
PNG
(2-fluoro-N-[5-(2-hydroxyethyl)-2- phenyl-2H-indazo...)
Show SMILES OCCc1ccc2nn(c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)c2c1)-c1ccccc1
Show InChI InChI=1S/C27H19F4N5O2/c28-22-15-21(27(29,30)31)18(24-32-10-4-11-33-24)14-19(22)26(38)34-25-20-13-16(9-12-37)7-8-23(20)35-36(25)17-5-2-1-3-6-17/h1-8,10-11,13-15,37H,9,12H2,(H,34,38)
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n/an/a 3.10n/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)

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


(Homo sapiens (Human))
BDBM364510
PNG
(3-({[2-chloro-5-pyridin-2-yl-4- (trifluoromethyl)p...)
Show SMILES NC(=O)c1cnc2c(NC(=O)c3cc(-c4ccccn4)c(cc3Cl)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1S/C26H16ClF3N6O2/c27-19-12-18(26(28,29)30)16(20-8-4-5-9-32-20)11-17(19)25(38)34-24-22-21(10-14(13-33-22)23(31)37)35-36(24)15-6-2-1-3-7-15/h1-13H,(H2,31,37)(H,34,38)
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n/an/a 3.30n/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)

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


(Homo sapiens (Human))
BDBM364503
PNG
(3-({[2-fluoro-5-(1H-pyrazol-3-yl)- 4- (trifluorome...)
Show SMILES NC(=O)c1ccc2c(NC(=O)c3cc(-c4cc[nH]n4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1S/C25H16F4N6O2/c26-19-12-18(25(27,28)29)16(20-8-9-31-33-20)11-17(19)24(37)32-23-15-7-6-13(22(30)36)10-21(15)34-35(23)14-4-2-1-3-5-14/h1-12H,(H2,30,36)(H,31,33)(H,32,37)
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n/an/a 3.60n/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)

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


(Homo sapiens (Human))
BDBM364449
PNG
((R or S)-N-[5-(1-hydroxyethyl)-2- phenyl-2H-indazo...)
Show SMILES CC(O)c1ccc2nn(c(NC(=O)c3ccc(c(c3)-c3ccn(C)n3)C(F)(F)F)c2c1)-c1ccccc1
Show InChI InChI=1/C27H22F3N5O2/c1-16(36)17-9-11-23-21(14-17)25(35(33-23)19-6-4-3-5-7-19)31-26(37)18-8-10-22(27(28,29)30)20(15-18)24-12-13-34(2)32-24/h3-16,36H,1-2H3,(H,31,37)
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n/an/a 3.70n/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)

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


(Homo sapiens (Human))
BDBM364439
PNG
(2-fluoro-N-[6-(hydroxymethyl)-2- phenyl-2H-indazol...)
Show SMILES OCc1ccc2c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1S/C26H17F4N5O2/c27-21-13-20(26(28,29)30)18(23-31-9-4-10-32-23)12-19(21)25(37)33-24-17-8-7-15(14-36)11-22(17)34-35(24)16-5-2-1-3-6-16/h1-13,36H,14H2,(H,33,37)
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n/an/a 3.80n/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)

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


(Homo sapiens (Human))
BDBM364466
PNG
(US9862707, Example 40)
Show SMILES CC(C)(O)c1cnc2c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1S/C27H20F4N6O2/c1-26(2,39)15-11-21-22(34-14-15)24(37(36-21)16-7-4-3-5-8-16)35-25(38)18-12-17(23-32-9-6-10-33-23)19(13-20(18)28)27(29,30)31/h3-14,39H,1-2H3,(H,35,38)
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n/an/a 3.90n/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)

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


(Homo sapiens (Human))
BDBM364519
PNG
(US9862707, Example 94)
Show SMILES NC(=O)Cc1ccc2c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1S/C27H18F4N6O2/c28-21-14-20(27(29,30)31)18(24-33-9-4-10-34-24)13-19(21)26(39)35-25-17-8-7-15(12-23(32)38)11-22(17)36-37(25)16-5-2-1-3-6-16/h1-11,13-14H,12H2,(H2,32,38)(H,35,39)
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n/an/a 4.40n/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)

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


(Homo sapiens (Human))
BDBM364463
PNG
((R or S)-2-chloro-N-[6-(1- hydroxyethyl)-2-phenyl-...)
Show SMILES CC(O)c1ccc2c(NC(=O)c3cc(-c4ncccn4)c(cc3Cl)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1/C27H19ClF3N5O2/c1-15(37)16-8-9-18-23(12-16)35-36(17-6-3-2-4-7-17)25(18)34-26(38)20-13-19(24-32-10-5-11-33-24)21(14-22(20)28)27(29,30)31/h2-15,37H,1H3,(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 US9862707 (2018)

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


(Homo sapiens (Human))
BDBM364468
PNG
(US9862707, Example 42)
Show SMILES CC(C)(O)c1ccc2c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1S/C28H21F4N5O2/c1-27(2,39)16-9-10-18-23(13-16)36-37(17-7-4-3-5-8-17)25(18)35-26(38)20-14-19(24-33-11-6-12-34-24)21(15-22(20)29)28(30,31)32/h3-15,39H,1-2H3,(H,35,38)
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n/an/a 4.60n/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)

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


(Homo sapiens (Human))
BDBM364474
PNG
(N-[6-(1-hydroxy-1-methylethyl)-2- phenyl-2H-pyrazo...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1n(nc2cc(cnc12)C(C)(C)O)-c1ccccc1
Show InChI InChI=1S/C27H23F3N6O2/c1-26(2,38)17-14-22-23(31-15-17)24(36(34-22)18-7-5-4-6-8-18)32-25(37)16-9-10-20(27(28,29)30)19(13-16)21-11-12-35(3)33-21/h4-15,38H,1-3H3,(H,32,37)
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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)

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


(Homo sapiens (Human))
BDBM364488
PNG
(US9862707, Example 62 | US9862707, Example 63)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1n(nc2cc(ccc12)C(C)(O)CO)-c1ccccc1
Show InChI InChI=1/C28H24F3N5O3/c1-27(39,16-37)18-9-10-20-24(15-18)34-36(19-6-4-3-5-7-19)25(20)32-26(38)17-8-11-22(28(29,30)31)21(14-17)23-12-13-35(2)33-23/h3-15,37,39H,16H2,1-2H3,(H,32,38)
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n/an/a 4.90n/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)

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


(Homo sapiens (Human))
BDBM364463
PNG
((R or S)-2-chloro-N-[6-(1- hydroxyethyl)-2-phenyl-...)
Show SMILES CC(O)c1ccc2c(NC(=O)c3cc(-c4ncccn4)c(cc3Cl)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1/C27H19ClF3N5O2/c1-15(37)16-8-9-18-23(12-16)35-36(17-6-3-2-4-7-17)25(18)34-26(38)20-13-19(24-32-10-5-11-33-24)21(14-22(20)28)27(29,30)31/h2-15,37H,1H3,(H,34,38)
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n/an/a 4.90n/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)

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


(Homo sapiens (Human))
BDBM364484
PNG
((R or S)-N-[5-(2,2-difluoro-1- hydroxyethyl)-2-phe...)
Show SMILES OC(C(F)F)c1ccc2nn(c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)c2c1)-c1ccccc1
Show InChI InChI=1/C27H17F6N5O2/c28-20-13-19(27(31,32)33)16(24-34-9-4-10-35-24)12-17(20)26(40)36-25-18-11-14(22(39)23(29)30)7-8-21(18)37-38(25)15-5-2-1-3-6-15/h1-13,22-23,39H,(H,36,40)
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n/an/a 4.90n/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)

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


(Homo sapiens (Human))
BDBM364457
PNG
((R or S)-2-fluoro-N-[5-(1- hydroxyethyl)-2-phenyl-...)
Show SMILES CC(O)c1ccc2nn(c(NC(=O)c3cc(-c4cc[nH]n4)c(cc3F)C(F)(F)F)c2n1)-c1ccccc1
Show InChI InChI=1/C25H18F4N6O2/c1-13(36)19-7-8-21-22(31-19)23(35(34-21)14-5-3-2-4-6-14)32-24(37)16-11-15(20-9-10-30-33-20)17(12-18(16)26)25(27,28)29/h2-13,36H,1H3,(H,30,33)(H,32,37)
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n/an/a 5.10n/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)

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


(Homo sapiens (Human))
BDBM364457
PNG
((R or S)-2-fluoro-N-[5-(1- hydroxyethyl)-2-phenyl-...)
Show SMILES CC(O)c1ccc2nn(c(NC(=O)c3cc(-c4cc[nH]n4)c(cc3F)C(F)(F)F)c2n1)-c1ccccc1
Show InChI InChI=1/C25H18F4N6O2/c1-13(36)19-7-8-21-22(31-19)23(35(34-21)14-5-3-2-4-6-14)32-24(37)16-11-15(20-9-10-30-33-20)17(12-18(16)26)25(27,28)29/h2-13,36H,1H3,(H,30,33)(H,32,37)
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n/an/a 5.20n/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)

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


(Homo sapiens (Human))
BDBM364474
PNG
(N-[6-(1-hydroxy-1-methylethyl)-2- phenyl-2H-pyrazo...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1n(nc2cc(cnc12)C(C)(C)O)-c1ccccc1
Show InChI InChI=1S/C27H23F3N6O2/c1-26(2,38)17-14-22-23(31-15-17)24(36(34-22)18-7-5-4-6-8-18)32-25(37)16-9-10-20(27(28,29)30)19(13-16)21-11-12-35(3)33-21/h4-15,38H,1-3H3,(H,32,37)
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n/an/a 5.20n/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)

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


(Homo sapiens (Human))
BDBM364424
PNG
(US9862707, Example 1)
Show SMILES Fc1cc(c(cc1C(=O)Nc1n(nc2cccnc12)-c1ccccc1)-c1ncccn1)C(F)(F)F
Show InChI InChI=1S/C24H14F4N6O/c25-18-13-17(24(26,27)28)15(21-30-10-5-11-31-21)12-16(18)23(35)32-22-20-19(8-4-9-29-20)33-34(22)14-6-2-1-3-7-14/h1-13H,(H,32,35)
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n/an/a 5.20n/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)

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


(Homo sapiens (Human))
BDBM364426
PNG
(US9862707, Example 2)
Show SMILES Fc1cc(c(cc1C(=O)Nc1n(nc2ccc(=O)[nH]c12)-c1ccccc1)-c1ncccn1)C(F)(F)F
Show InChI InChI=1S/C24H14F4N6O2/c25-17-12-16(24(26,27)28)14(21-29-9-4-10-30-21)11-15(17)23(36)32-22-20-18(7-8-19(35)31-20)33-34(22)13-5-2-1-3-6-13/h1-12H,(H,31,35)(H,32,36)
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n/an/a 6n/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)

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


(Homo sapiens (Human))
BDBM364508
PNG
(3-({[2-chloro-5-pyridin-2-yl-4- (trifluoromethyl)p...)
Show SMILES NC(=O)c1ccc2c(NC(=O)c3cc(-c4ccccn4)c(cc3Cl)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1S/C27H17ClF3N5O2/c28-21-14-20(27(29,30)31)18(22-8-4-5-11-33-22)13-19(21)26(38)34-25-17-10-9-15(24(32)37)12-23(17)35-36(25)16-6-2-1-3-7-16/h1-14H,(H2,32,37)(H,34,38)
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n/an/a 6.10n/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)

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


(Homo sapiens (Human))
BDBM364432
PNG
(2-fluoro-5-(1-methyl-1H-pyrazol-3- yl)-N-(2-phenyl...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2n(nc3ncccc23)-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C24H16F4N6O/c1-33-11-9-20(31-33)16-12-17(19(25)13-18(16)24(26,27)28)23(35)30-22-15-8-5-10-29-21(15)32-34(22)14-6-3-2-4-7-14/h2-13H,1H3,(H,30,35)
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n/an/a 6.10n/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)

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


(Homo sapiens (Human))
BDBM364477
PNG
(N-[5-(1-hydroxycyclopropyl)-2- phenyl-2H-indazol-3...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1n(nc2ccc(cc12)C1(O)CC1)-c1ccccc1
Show InChI InChI=1S/C28H22F3N5O2/c1-35-14-11-24(33-35)20-15-17(7-9-22(20)28(29,30)31)26(37)32-25-21-16-18(27(38)12-13-27)8-10-23(21)34-36(25)19-5-3-2-4-6-19/h2-11,14-16,38H,12-13H2,1H3,(H,32,37)
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n/an/a 6.40n/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)

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


(Homo sapiens (Human))
BDBM364497
PNG
(2-fluoro-N-(6-{[(2- hydroxyethyl)amino]methyl}-2- ...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2n(nc3cc(CNCCO)ccc23)-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C28H24F4N6O2/c1-37-11-9-24(35-37)20-14-21(23(29)15-22(20)28(30,31)32)27(40)34-26-19-8-7-17(16-33-10-12-39)13-25(19)36-38(26)18-5-3-2-4-6-18/h2-9,11,13-15,33,39H,10,12,16H2,1H3,(H,34,40)
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n/an/a 6.5n/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)

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


(Homo sapiens (Human))
BDBM364484
PNG
((R or S)-N-[5-(2,2-difluoro-1- hydroxyethyl)-2-phe...)
Show SMILES OC(C(F)F)c1ccc2nn(c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)c2c1)-c1ccccc1
Show InChI InChI=1/C27H17F6N5O2/c28-20-13-19(27(31,32)33)16(24-34-9-4-10-35-24)12-17(20)26(40)36-25-18-11-14(22(39)23(29)30)7-8-21(18)37-38(25)15-5-2-1-3-6-15/h1-13,22-23,39H,(H,36,40)
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n/an/a 6.90n/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)

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


(Homo sapiens (Human))
BDBM364494
PNG
((R or S)-N-{6-[1-aminoethyl]-2- phenyl-2H-indazol-...)
Show SMILES CC(N)c1ccc2c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1/C27H20F4N6O/c1-15(32)16-8-9-18-23(12-16)36-37(17-6-3-2-4-7-17)25(18)35-26(38)20-13-19(24-33-10-5-11-34-24)21(14-22(20)28)27(29,30)31/h2-15H,32H2,1H3,(H,35,38)
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n/an/a 7.10n/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)

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


(Homo sapiens (Human))
BDBM364500
PNG
(US9862707, Example 75)
Show SMILES NC(=O)c1cnc2c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1S/C25H15F4N7O2/c26-18-11-17(25(27,28)29)15(22-31-7-4-8-32-22)10-16(18)24(38)34-23-20-19(9-13(12-33-20)21(30)37)35-36(23)14-5-2-1-3-6-14/h1-12H,(H2,30,37)(H,34,38)
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n/an/a 7.20n/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)

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


(Homo sapiens (Human))
BDBM364451
PNG
((R or S)-2-fluoro-N-(5-(1- hydroxyethyl)-2-phenyl-...)
Show SMILES CC(O)c1ccc2nn(c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)c2c1)-c1ccccc1
Show InChI InChI=1/C27H19F4N5O2/c1-15(37)16-8-9-23-20(12-16)25(36(35-23)17-6-3-2-4-7-17)34-26(38)19-13-18(24-32-10-5-11-33-24)21(14-22(19)28)27(29,30)31/h2-15,37H,1H3,(H,34,38)
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n/an/a 7.60n/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)

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


(Homo sapiens (Human))
BDBM364442
PNG
(2-chloro-N-[6-(hydroxymethyl)-2- phenyl-2H-indazol...)
Show SMILES OCc1ccc2c(NC(=O)c3cc(-c4ncccn4)c(cc3Cl)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1S/C26H17ClF3N5O2/c27-21-13-20(26(28,29)30)18(23-31-9-4-10-32-23)12-19(21)25(37)33-24-17-8-7-15(14-36)11-22(17)34-35(24)16-5-2-1-3-6-16/h1-13,36H,14H2,(H,33,37)
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n/an/a 7.90n/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)

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


(Homo sapiens (Human))
BDBM364430
PNG
(N-(5-cyano-2-phenyl-2H-indazol-3- yl)-3-(1-methyl-...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1n(nc2ccc(cc12)C#N)-c1ccccc1
Show InChI InChI=1S/C26H17F3N6O/c1-34-12-11-23(32-34)19-14-17(8-9-21(19)26(27,28)29)25(36)31-24-20-13-16(15-30)7-10-22(20)33-35(24)18-5-3-2-4-6-18/h2-14H,1H3,(H,31,36)
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n/an/a 8.80n/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)

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


(Homo sapiens (Human))
BDBM364521
PNG
(2-fluoro-N-{6-[2-(methylamino)-2- oxoethyl]-2-phen...)
Show SMILES CNC(=O)Cc1ccc2c(NC(=O)c3cc(c(C)cc3F)-c3ncccn3)n(nc2c1)-c1ccccc1
Show InChI InChI=1S/C28H23FN6O2/c1-17-13-23(29)22(16-21(17)26-31-11-6-12-32-26)28(37)33-27-20-10-9-18(15-25(36)30-2)14-24(20)34-35(27)19-7-4-3-5-8-19/h3-14,16H,15H2,1-2H3,(H,30,36)(H,33,37)
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n/an/a 8.90n/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)

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


(Homo sapiens (Human))
BDBM364453
PNG
((R or S)-2-fluoro-N-[5-(1- hydroxyethyl)-2-phenyl-...)
Show SMILES CC(O)c1ccc2nn(c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)c2n1)-c1ccccc1
Show InChI InChI=1/C26H18F4N6O2/c1-14(37)20-8-9-21-22(33-20)24(36(35-21)15-6-3-2-4-7-15)34-25(38)17-12-16(23-31-10-5-11-32-23)18(13-19(17)27)26(28,29)30/h2-14,37H,1H3,(H,34,38)
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n/an/a 9.5n/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)

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


(Homo sapiens (Human))
BDBM364517
PNG
(3-({[2-fluoro-5-pyrimidin-2-yl-4- (trifluoromethyl...)
Show SMILES OCCNC(=O)c1ccc2c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1S/C28H20F4N6O3/c29-22-15-21(28(30,31)32)19(24-33-9-4-10-34-24)14-20(22)27(41)36-25-18-8-7-16(26(40)35-11-12-39)13-23(18)37-38(25)17-5-2-1-3-6-17/h1-10,13-15,39H,11-12H2,(H,35,40)(H,36,41)
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n/an/a 11n/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)

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


(Homo sapiens (Human))
BDBM364504
PNG
(3-({[3-(1-methyl-1H-pyrazol-3-yl)- 4- (trifluorome...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1n(nc2ccc(cc12)C(N)=O)-c1ccccc1
Show InChI InChI=1S/C26H19F3N6O2/c1-34-12-11-22(32-34)18-14-16(7-9-20(18)26(27,28)29)25(37)31-24-19-13-15(23(30)36)8-10-21(19)33-35(24)17-5-3-2-4-6-17/h2-14H,1H3,(H2,30,36)(H,31,37)
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n/an/a 11n/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)

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


(Homo sapiens (Human))
BDBM364523
PNG
(US9862707, Example 98)
Show SMILES OCC(=O)NCc1ccc2c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1S/C28H20F4N6O3/c29-22-13-21(28(30,31)32)19(25-33-9-4-10-34-25)12-20(22)27(41)36-26-18-8-7-16(14-35-24(40)15-39)11-23(18)37-38(26)17-5-2-1-3-6-17/h1-13,39H,14-15H2,(H,35,40)(H,36,41)
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n/an/a 11n/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)

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


(Homo sapiens (Human))
BDBM364514
PNG
(3-({[2-fluoro-5-pyrimidin-2-yl-4- (trifluoromethyl...)
Show SMILES NC(=O)c1cccc2c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)n(nc12)-c1ccccc1
Show InChI InChI=1S/C26H16F4N6O2/c27-20-13-19(26(28,29)30)17(23-32-10-5-11-33-23)12-18(20)25(38)34-24-16-9-4-8-15(22(31)37)21(16)35-36(24)14-6-2-1-3-7-14/h1-13H,(H2,31,37)(H,34,38)
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n/an/a 11n/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)

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


(Homo sapiens (Human))
BDBM364451
PNG
((R or S)-2-fluoro-N-(5-(1- hydroxyethyl)-2-phenyl-...)
Show SMILES CC(O)c1ccc2nn(c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)c2c1)-c1ccccc1
Show InChI InChI=1/C27H19F4N5O2/c1-15(37)16-8-9-23-20(12-16)25(36(35-23)17-6-3-2-4-7-17)34-26(38)19-13-18(24-32-10-5-11-33-24)21(14-22(19)28)27(29,30)31/h2-15,37H,1H3,(H,34,38)
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n/an/a 12n/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)

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


(Homo sapiens (Human))
BDBM364471
PNG
(2-fluoro-N-[5-(1-hydroxy-1- methylethyl)-2-phenyl-...)
Show SMILES CC(C)(O)c1cnc2nn(c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)c2c1)-c1ccccc1
Show InChI InChI=1S/C27H20F4N6O2/c1-26(2,39)15-11-19-23(34-14-15)36-37(16-7-4-3-5-8-16)24(19)35-25(38)18-12-17(22-32-9-6-10-33-22)20(13-21(18)28)27(29,30)31/h3-14,39H,1-2H3,(H,35,38)
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n/an/a 12n/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)

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


(Homo sapiens (Human))
BDBM364513
PNG
(2-phenyl-3-({[3-pyrimidin-2-yl-4- (trifluoromethyl...)
Show SMILES NC(=O)c1cnc2c(NC(=O)c3ccc(c(c3)-c3ncccn3)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1S/C25H16F3N7O2/c26-25(27,28)18-8-7-14(11-17(18)22-30-9-4-10-31-22)24(37)33-23-20-19(12-15(13-32-20)21(29)36)34-35(23)16-5-2-1-3-6-16/h1-13H,(H2,29,36)(H,33,37)
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n/an/a 13n/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)

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


(Homo sapiens (Human))
BDBM364482
PNG
((R or S)-N-[6-(2,2-difluoro-1- hydroxyethyl)-2-phe...)
Show SMILES OC([H]C(F)F)c1ccc2c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1/C27H17F6N5O2/c28-20-13-19(27(31,32)33)17(24-34-9-4-10-35-24)12-18(20)26(40)36-25-16-8-7-14(22(39)23(29)30)11-21(16)37-38(25)15-5-2-1-3-6-15/h1-13,22-23,39H,(H,36,40)
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n/an/a 13n/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)

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


(Homo sapiens (Human))
BDBM364494
PNG
((R or S)-N-{6-[1-aminoethyl]-2- phenyl-2H-indazol-...)
Show SMILES CC(N)c1ccc2c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1/C27H20F4N6O/c1-15(32)16-8-9-18-23(12-16)36-37(17-6-3-2-4-7-17)25(18)35-26(38)20-13-19(24-33-10-5-11-34-24)21(14-22(20)28)27(29,30)31/h2-15H,32H2,1H3,(H,35,38)
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n/an/a 14n/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)

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


(Homo sapiens (Human))
BDBM364515
PNG
(3-({[2-chloro-5-pyrimidin-2-yl-4- (trifluoromethyl...)
Show SMILES OCCNC(=O)c1ccc2c(NC(=O)c3cc(-c4ncccn4)c(cc3Cl)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1S/C28H20ClF3N6O3/c29-22-15-21(28(30,31)32)19(24-33-9-4-10-34-24)14-20(22)27(41)36-25-18-8-7-16(26(40)35-11-12-39)13-23(18)37-38(25)17-5-2-1-3-6-17/h1-10,13-15,39H,11-12H2,(H,35,40)(H,36,41)
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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)

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


(Homo sapiens (Human))
BDBM364453
PNG
((R or S)-2-fluoro-N-[5-(1- hydroxyethyl)-2-phenyl-...)
Show SMILES CC(O)c1ccc2nn(c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)c2n1)-c1ccccc1
Show InChI InChI=1/C26H18F4N6O2/c1-14(37)20-8-9-21-22(33-20)24(36(35-21)15-6-3-2-4-7-15)34-25(38)17-12-16(23-31-10-5-11-32-23)18(13-19(17)27)26(28,29)30/h2-14,37H,1H3,(H,34,38)
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n/an/a 15n/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)

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


(Homo sapiens (Human))
BDBM364488
PNG
(US9862707, Example 62 | US9862707, Example 63)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1n(nc2cc(ccc12)C(C)(O)CO)-c1ccccc1
Show InChI InChI=1/C28H24F3N5O3/c1-27(39,16-37)18-9-10-20-24(15-18)34-36(19-6-4-3-5-7-19)25(20)32-26(38)17-8-11-22(28(29,30)31)21(14-17)23-12-13-35(2)33-23/h3-15,37,39H,16H2,1-2H3,(H,32,38)
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n/an/a 15n/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)

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


(Homo sapiens (Human))
BDBM364490
PNG
((R or S)-2-chloro-N-[6-(1,2- dihydroxyethyl)-2-phe...)
Show SMILES OCC(O)c1cnc2c(NC(=O)c3cc(-c4ncccn4)c(cc3Cl)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1/C26H18ClF3N6O3/c27-19-11-18(26(28,29)30)16(23-31-7-4-8-32-23)10-17(19)25(39)34-24-22-20(9-14(12-33-22)21(38)13-37)35-36(24)15-5-2-1-3-6-15/h1-12,21,37-38H,13H2,(H,34,39)
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n/an/a 15n/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)

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


(Homo sapiens (Human))
BDBM364443
PNG
(2-chloro-N-[5-(hydroxymethyl)-2- phenyl-2H-pyrazol...)
Show SMILES OCc1ccc2nn(c(NC(=O)c3cc(-c4ncccn4)c(cc3Cl)C(F)(F)F)c2n1)-c1ccccc1
Show InChI InChI=1S/C25H16ClF3N6O2/c26-19-12-18(25(27,28)29)16(22-30-9-4-10-31-22)11-17(19)24(37)33-23-21-20(8-7-14(13-36)32-21)34-35(23)15-5-2-1-3-6-15/h1-12,36H,13H2,(H,33,37)
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n/an/a 18n/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)

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


(Homo sapiens (Human))
BDBM364434
PNG
(2-fluoro-N-(5-methoxy-2-phenyl- 2H-pyrazolo[4,3-b]...)
Show SMILES OCc1ccc2nn(c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)c2n1)-c1ccccc1
Show InChI InChI=1S/C25H16F4N6O2/c26-19-12-18(25(27,28)29)16(22-30-9-4-10-31-22)11-17(19)24(37)33-23-21-20(8-7-14(13-36)32-21)34-35(23)15-5-2-1-3-6-15/h1-12,36H,13H2,(H,33,37)
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n/an/a 18n/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)

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


(Homo sapiens (Human))
BDBM364465
PNG
((R or S)-2-fluoro-N-[6-(1- hydroxyethyl)-2-phenyl-...)
Show SMILES CC(O)c1cc2nn(c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)c2cn1)-c1ccccc1
Show InChI InChI=1/C26H18F4N6O2/c1-14(37)21-12-22-18(13-33-21)24(36(35-22)15-6-3-2-4-7-15)34-25(38)17-10-16(23-31-8-5-9-32-23)19(11-20(17)27)26(28,29)30/h2-14,37H,1H3,(H,34,38)
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n/an/a 19n/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)

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


(Homo sapiens (Human))
BDBM364437
PNG
(US9862707, Example 11)
Show SMILES OCc1cc2c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)n(nc2cn1)-c1ccccc1
Show InChI InChI=1S/C25H16F4N6O2/c26-20-11-19(25(27,28)29)16(22-30-7-4-8-31-22)10-17(20)24(37)33-23-18-9-14(13-36)32-12-21(18)34-35(23)15-5-2-1-3-6-15/h1-12,36H,13H2,(H,33,37)
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n/an/a 20n/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)

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


(Homo sapiens (Human))
BDBM364493
PNG
(N-{5-[(dimethylamino)methyl]-2- phenyl-2H-indazol-...)
Show SMILES CN(C)Cc1ccc2nn(c(NC(=O)c3ccc(c(c3)-c3ccn(C)n3)C(F)(F)F)c2c1)-c1ccccc1
Show InChI InChI=1S/C28H25F3N6O/c1-35(2)17-18-9-12-24-22(15-18)26(37(34-24)20-7-5-4-6-8-20)32-27(38)19-10-11-23(28(29,30)31)21(16-19)25-13-14-36(3)33-25/h4-16H,17H2,1-3H3,(H,32,38)
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n/an/a 21n/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)

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


(Homo sapiens (Human))
BDBM364480
PNG
((R or S)-2-fluoro-N-(2-phenyl-5- (2,2,2-trifluoro-...)
Show SMILES OC(c1ccc2nn(c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)c2c1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1/C27H16F7N5O2/c28-20-13-19(26(29,30)31)16(23-35-9-4-10-36-23)12-17(20)25(41)37-24-18-11-14(22(40)27(32,33)34)7-8-21(18)38-39(24)15-5-2-1-3-6-15/h1-13,22,40H,(H,37,41)
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n/an/a 23n/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)

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


(Homo sapiens (Human))
BDBM364527
PNG
(US9862707, Example 102 | US9862707, Example 103)
Show SMILES Fc1cc(c(cc1C(=O)Nc1n(nc2cc(ccc12)C1CCCN1)-c1ccccc1)-c1ncccn1)C(F)(F)F
Show InChI InChI=1/C29H22F4N6O/c30-23-16-22(29(31,32)33)20(26-35-12-5-13-36-26)15-21(23)28(40)37-27-19-10-9-17(24-8-4-11-34-24)14-25(19)38-39(27)18-6-2-1-3-7-18/h1-3,5-7,9-10,12-16,24,34H,4,8,11H2,(H,37,40)
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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)

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


(Homo sapiens (Human))
BDBM364433
PNG
(2-fluoro-5-(1-methyl-1H-pyrazol-3- yl)-N-[2-phenyl...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2n(nc3ccc(cc23)C(F)(F)F)-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C26H16F7N5O/c1-37-10-9-22(35-37)16-12-17(20(27)13-19(16)26(31,32)33)24(39)34-23-18-11-14(25(28,29)30)7-8-21(18)36-38(23)15-5-3-2-4-6-15/h2-13H,1H3,(H,34,39)
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n/an/a 29n/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)

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


(Homo sapiens (Human))
BDBM364490
PNG
((R or S)-2-chloro-N-[6-(1,2- dihydroxyethyl)-2-phe...)
Show SMILES OCC(O)c1cnc2c(NC(=O)c3cc(-c4ncccn4)c(cc3Cl)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1/C26H18ClF3N6O3/c27-19-11-18(26(28,29)30)16(23-31-7-4-8-32-23)10-17(19)25(39)34-24-22-20(9-14(12-33-22)21(38)13-37)35-36(24)15-5-2-1-3-6-15/h1-12,21,37-38H,13H2,(H,34,39)
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n/an/a 29n/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)

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


(Homo sapiens (Human))
BDBM364478
PNG
(US9862707, Example 52 | US9862707, Example 53)
Show SMILES OC(c1ccc2c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1/C27H16F7N5O2/c28-20-13-19(26(29,30)31)17(23-35-9-4-10-36-23)12-18(20)25(41)37-24-16-8-7-14(22(40)27(32,33)34)11-21(16)38-39(24)15-5-2-1-3-6-15/h1-13,22,40H,(H,37,41)
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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)

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


(Homo sapiens (Human))
BDBM364527
PNG
(US9862707, Example 102 | US9862707, Example 103)
Show SMILES Fc1cc(c(cc1C(=O)Nc1n(nc2cc(ccc12)C1CCCN1)-c1ccccc1)-c1ncccn1)C(F)(F)F
Show InChI InChI=1/C29H22F4N6O/c30-23-16-22(29(31,32)33)20(26-35-12-5-13-36-26)15-21(23)28(40)37-27-19-10-9-17(24-8-4-11-34-24)14-25(19)38-39(27)18-6-2-1-3-7-18/h1-3,5-7,9-10,12-16,24,34H,4,8,11H2,(H,37,40)
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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)

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


(Homo sapiens (Human))
BDBM364505
PNG
(3-({[2-fluoro-5-pyrimidin-2-yl-4- (trifluoromethyl...)
Show SMILES NC(=O)c1ccc2nn(c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)c2n1)-c1ccccc1
Show InChI InChI=1S/C25H15F4N7O2/c26-17-12-16(25(27,28)29)14(22-31-9-4-10-32-22)11-15(17)24(38)34-23-20-18(7-8-19(33-20)21(30)37)35-36(23)13-5-2-1-3-6-13/h1-12H,(H2,30,37)(H,34,38)
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n/an/a 32n/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)

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


(Homo sapiens (Human))
BDBM364518
PNG
(3-({[2-fluoro-5-pyrimidin-2-yl-4- (trifluoromethyl...)
Show SMILES Cc1ccccc1-n1nc2cc(ccc2c1NC(=O)c1cc(-c2ncccn2)c(cc1F)C(F)(F)F)C(N)=O
Show InChI InChI=1S/C27H18F4N6O2/c1-14-5-2-3-6-22(14)37-25(16-8-7-15(23(32)38)11-21(16)36-37)35-26(39)18-12-17(24-33-9-4-10-34-24)19(13-20(18)28)27(29,30)31/h2-13H,1H3,(H2,32,38)(H,35,39)
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n/an/a 32n/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)

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


(Homo sapiens (Human))
BDBM364469
PNG
(US9862707, Example 43)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2n(nc3cnc(nc23)C(C)(C)O)-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C26H21F4N7O2/c1-25(2,39)24-31-13-20-21(32-24)22(37(35-20)14-7-5-4-6-8-14)33-23(38)16-11-15(19-9-10-36(3)34-19)17(12-18(16)27)26(28,29)30/h4-13,39H,1-3H3,(H,33,38)
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n/an/a 33n/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)

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


(Homo sapiens (Human))
BDBM364501
PNG
(US9862707, Example 76)
Show SMILES NC(=O)c1cc2nn(c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)c2cn1)-c1ccccc1
Show InChI InChI=1S/C25H15F4N7O2/c26-18-10-17(25(27,28)29)14(22-31-7-4-8-32-22)9-15(18)24(38)34-23-16-12-33-20(21(30)37)11-19(16)35-36(23)13-5-2-1-3-6-13/h1-12H,(H2,30,37)(H,34,38)
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n/an/a 36n/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)

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


(Homo sapiens (Human))
BDBM364522
PNG
(N-[6-(2-amino-2-oxoethyl)-2- phenyl-2H-pyrazolo[4,...)
Show SMILES Cc1cc(Cl)c(cc1-c1ncccn1)C(=O)Nc1n(nc2cc(CC(N)=O)cnc12)-c1ccccc1
Show InChI InChI=1S/C26H20ClN7O2/c1-15-10-20(27)19(13-18(15)24-29-8-5-9-30-24)26(36)32-25-23-21(11-16(14-31-23)12-22(28)35)33-34(25)17-6-3-2-4-7-17/h2-11,13-14H,12H2,1H3,(H2,28,35)(H,32,36)
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n/an/a 43n/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)

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


(Homo sapiens (Human))
BDBM364516
PNG
(3-({[2-fluoro-5-pyrimidin-2-yl-4- (trifluoromethyl...)
Show SMILES Cc1ccccc1-n1nc2cc(cnc2c1NC(=O)c1cc(-c2ncccn2)c(cc1F)C(F)(F)F)C(N)=O
Show InChI InChI=1S/C26H17F4N7O2/c1-13-5-2-3-6-20(13)37-24(21-19(36-37)9-14(12-34-21)22(31)38)35-25(39)16-10-15(23-32-7-4-8-33-23)17(11-18(16)27)26(28,29)30/h2-12H,1H3,(H2,31,38)(H,35,39)
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n/an/a 52n/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)

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


(Homo sapiens (Human))
BDBM364492
PNG
(US9862707, Example 66)
Show SMILES NCc1cnc2c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1S/C25H17F4N7O/c26-19-11-18(25(27,28)29)16(22-31-7-4-8-32-22)10-17(19)24(37)34-23-21-20(9-14(12-30)13-33-21)35-36(23)15-5-2-1-3-6-15/h1-11,13H,12,30H2,(H,34,37)
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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)

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


(Homo sapiens (Human))
BDBM364441
PNG
(2-fluoro-N-[5-(hydroxymethyl)-2- (5-methyl-1H-pyra...)
Show SMILES Cc1cc(n[nH]1)-n1nc2ccc(CO)cc2c1NC(=O)c1cc(-c2ncccn2)c(cc1F)C(F)(F)F
Show InChI InChI=1S/C24H17F4N7O2/c1-12-7-20(33-32-12)35-22(16-8-13(11-36)3-4-19(16)34-35)31-23(37)15-9-14(21-29-5-2-6-30-21)17(10-18(15)25)24(26,27)28/h2-10,36H,11H2,1H3,(H,31,37)(H,32,33)
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n/an/a 74n/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)

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


(Homo sapiens (Human))
BDBM364428
PNG
(US9862707, Example 3)
Show SMILES OCc1cccc(c1)-n1nc2cccnc2c1NC(=O)c1cc(-c2ncccn2)c(cc1F)C(F)(F)F
Show InChI InChI=1S/C25H16F4N6O2/c26-19-12-18(25(27,28)29)16(22-31-8-3-9-32-22)11-17(19)24(37)33-23-21-20(6-2-7-30-21)34-35(23)15-5-1-4-14(10-15)13-36/h1-12,36H,13H2,(H,33,37)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 122n/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)

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


(Homo sapiens (Human))
BDBM364470
PNG
(US9862707, Example 44)
Show SMILES CC(C)(O)c1ccc2nn(c(NC(=O)c3cc(-c4ncccn4)c(cc3F)C(F)(F)F)c2c1)-c1ccccc1
Show InChI InChI=1S/C28H21F4N5O2/c1-27(2,39)16-9-10-23-20(13-16)25(37(36-23)17-7-4-3-5-8-17)35-26(38)19-14-18(24-33-11-6-12-34-24)21(15-22(19)29)28(30,31)32/h3-15,39H,1-2H3,(H,35,38)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 141n/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)

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


(Homo sapiens (Human))
BDBM364435
PNG
(N-(2-{3- [(acetylamino)methyl]phenyl}-2H- pyrazolo...)
Show SMILES CC(=O)NCc1cccc(c1)-n1nc2cccnc2c1NC(=O)c1cc(-c2ncccn2)c(cc1F)C(F)(F)F
Show InChI InChI=1S/C27H19F4N7O2/c1-15(39)35-14-16-5-2-6-17(11-16)38-25(23-22(37-38)7-3-8-32-23)36-26(40)19-12-18(24-33-9-4-10-34-24)20(13-21(19)28)27(29,30)31/h2-13H,14H2,1H3,(H,35,39)(H,36,40)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 744n/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)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%