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Patent code US9815846

Compile Data Set for Download or QSAR

Found 228 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))
BDBM356152
PNG
(2-fluoro-5-(1-methyl-1H- pyrazol-3-yl)-N-(5-oxo-2-...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cc3C(=O)NCCc3nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C26H19F4N5O2/c1-35-10-8-21(34-35)15-11-16(19(27)13-18(15)26(28,29)30)25(37)33-22-12-17-20(7-9-31-24(17)36)32-23(22)14-5-3-2-4-6-14/h2-6,8,10-13H,7,9H2,1H3,(H,31,36)(H,33,37)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0690n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


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

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GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0830n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


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

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.110n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


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



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


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



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


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



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


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

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.220n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


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

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.220n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


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

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.230n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


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

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DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.240n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


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

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GoogleScholar
PC cid
PC sid
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 US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356097
PNG
(N-(2-((2,4-dioxooxazolidin-3- yl)methyl)-4-phenylp...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cnc(CN3C(=O)COC3=O)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C26H18F4N6O4/c1-35-8-7-19(34-35)15-9-16(18(27)10-17(15)26(28,29)30)24(38)32-20-11-31-21(12-36-22(37)13-40-25(36)39)33-23(20)14-5-3-2-4-6-14/h2-11H,12-13H2,1H3,(H,32,38)
PDB
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PC cid
PC sid
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 US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356172
PNG
(2-fluoro-N-(5-(2- hydroxypropan-2-yl)-6'-phenyl- [...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cc(cnc2-c2ccccc2)-c2ccc(cn2)C(C)(C)O)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C31H25F4N5O2/c1-30(2,42)20-9-10-25(36-17-20)19-13-27(28(37-16-19)18-7-5-4-6-8-18)38-29(41)22-14-21(26-11-12-40(3)39-26)23(15-24(22)32)31(33,34)35/h4-17,42H,1-3H3,(H,38,41)
PDB
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PC cid
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UniChem
US Patent
n/an/a 0.260n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356144
PNG
(US9815846, Compound 144)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cc3CCN(Cc3nc2-c2ccccc2)C(N)=O)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C27H22F4N6O2/c1-36-9-8-21(35-36)17-12-18(20(28)13-19(17)27(29,30)31)25(38)34-22-11-16-7-10-37(26(32)39)14-23(16)33-24(22)15-5-3-2-4-6-15/h2-6,8-9,11-13H,7,10,14H2,1H3,(H2,32,39)(H,34,38)
PDB
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UniProtKB/SwissProt

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GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.260n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356178
PNG
(N-(5-(1-aminoethyl)-6'-phenyl- [2,3'-bipyridin]-5'...)
Show SMILES CC(N)c1ccc(nc1)-c1cnc(c(NC(=O)c2cc(-c3ccn(C)n3)c(cc2F)C(F)(F)F)c1)-c1ccccc1
Show InChI InChI=1S/C30H24F4N6O/c1-17(35)19-8-9-25(36-15-19)20-12-27(28(37-16-20)18-6-4-3-5-7-18)38-29(41)22-13-21(26-10-11-40(2)39-26)23(14-24(22)31)30(32,33)34/h3-17H,35H2,1-2H3,(H,38,41)
PDB
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UniChem
US Patent
n/an/a 0.290n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356219
PNG
(2-fluoro-5-(1-methyl-1H- pyrazol-3-yl)-N-(2-((2- o...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cnc(CN3CCCC3=O)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C27H22F4N6O2/c1-36-11-9-21(35-36)17-12-18(20(28)13-19(17)27(29,30)31)26(39)33-22-14-32-23(15-37-10-5-8-24(37)38)34-25(22)16-6-3-2-4-7-16/h2-4,6-7,9,11-14H,5,8,10,15H2,1H3,(H,33,39)
PDB
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UniChem
US Patent
n/an/a 0.320n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356226
PNG
(N-(2-((2,4-dioxo-3,4- dihydropyrimidin-1(2H)- yl)m...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cnc(Cn3ccc(=O)[nH]c3=O)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C27H19F4N7O3/c1-37-9-7-20(36-37)16-11-17(19(28)12-18(16)27(29,30)31)25(40)33-21-13-32-22(14-38-10-8-23(39)35-26(38)41)34-24(21)15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,33,40)(H,35,39,41)
PDB
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UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 0.350n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356215
PNG
(US9815846, Compound 215)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2ccc(nc2-c2ccccc2)C2CNC(=O)N2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C26H20F4N6O2/c1-36-10-9-19(35-36)15-11-16(18(27)12-17(15)26(28,29)30)24(37)33-21-8-7-20(22-13-31-25(38)34-22)32-23(21)14-5-3-2-4-6-14/h2-12,22H,13H2,1H3,(H,33,37)(H2,31,34,38)
PDB
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.360n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356161
PNG
(2-fluoro-5-(1-methyl-1H- pyrazol-3-yl)-N-(5-oxo-2-...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cc3C(=O)NCc3nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C25H17F4N5O2/c1-34-8-7-19(33-34)14-9-15(18(26)11-17(14)25(27,28)29)24(36)32-20-10-16-21(12-30-23(16)35)31-22(20)13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,30,35)(H,32,36)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.380n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356068
PNG
(2-fluoro-5-(1-methyl-1H- pyrazol-3-yl)-N-(2-((2- (...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cnc(CNC(=O)Cn3cncn3)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C27H21F4N9O2/c1-39-8-7-21(38-39)17-9-18(20(28)10-19(17)27(29,30)31)26(42)36-22-11-33-23(37-25(22)16-5-3-2-4-6-16)12-34-24(41)13-40-15-32-14-35-40/h2-11,14-15H,12-13H2,1H3,(H,34,41)(H,36,42)
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n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356064
PNG
(2-fluoro-N-(2-((2- methoxyacetamido)methyl)-4- phe...)
Show SMILES COCC(=O)NCc1ncc(NC(=O)c2cc(-c3ccn(C)n3)c(cc2F)C(F)(F)F)c(n1)-c1ccccc1
Show InChI InChI=1S/C26H22F4N6O3/c1-36-9-8-20(35-36)16-10-17(19(27)11-18(16)26(28,29)30)25(38)33-21-12-31-22(13-32-23(37)14-39-2)34-24(21)15-6-4-3-5-7-15/h3-12H,13-14H2,1-2H3,(H,32,37)(H,33,38)
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n/an/a 0.440n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356056
PNG
((S)-2-fluoro-N-(6-((2- hydroxypropanamido)methyl)-...)
Show SMILES C[C@H](O)C(=O)NCc1ccc(NC(=O)c2cc(-c3ccn(C)n3)c(cc2F)C(F)(F)F)c(n1)-c1ccccc1
Show InChI InChI=1S/C27H23F4N5O3/c1-15(37)25(38)32-14-17-8-9-23(24(33-17)16-6-4-3-5-7-16)34-26(39)19-12-18(22-10-11-36(2)35-22)20(13-21(19)28)27(29,30)31/h3-13,15,37H,14H2,1-2H3,(H,32,38)(H,34,39)/t15-/m0/s1
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n/an/a 0.450n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356080
PNG
(US9815846, Compound 80)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cnc(COC(N)=O)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C24H18F4N6O3/c1-34-8-7-18(33-34)14-9-15(17(25)10-16(14)24(26,27)28)22(35)31-19-11-30-20(12-37-23(29)36)32-21(19)13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H2,29,36)(H,31,35)
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n/an/a 0.490n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356164
PNG
(US9815846, Compound 164)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cc(cnc2-c2ccccc2)-c2ccc(cn2)C(N)=O)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C29H20F4N6O2/c1-39-10-9-24(38-39)19-12-20(22(30)13-21(19)29(31,32)33)28(41)37-25-11-18(23-8-7-17(14-35-23)27(34)40)15-36-26(25)16-5-3-2-4-6-16/h2-15H,1H3,(H2,34,40)(H,37,41)
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n/an/a 0.510n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356189
PNG
(US9815846, Compound 189)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1ccc(nc1-c1ccccc1)C1CCC(=O)N1
Show InChI InChI=1S/C27H22F3N5O2/c1-35-14-13-20(34-35)18-15-17(7-8-19(18)27(28,29)30)26(37)33-23-10-9-22(21-11-12-24(36)31-21)32-25(23)16-5-3-2-4-6-16/h2-10,13-15,21H,11-12H2,1H3,(H,31,36)(H,33,37)
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n/an/a 0.510n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356070
PNG
(2-fluoro-5-(1-methyl-1H- pyrazol-3-yl)-N-(2-((2-(2...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cnc(CNC(=O)CN3CCOC3=O)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C28H23F4N7O4/c1-38-8-7-21(37-38)17-11-18(20(29)12-19(17)28(30,31)32)26(41)35-22-13-33-23(36-25(22)16-5-3-2-4-6-16)14-34-24(40)15-39-9-10-43-27(39)42/h2-8,11-13H,9-10,14-15H2,1H3,(H,34,40)(H,35,41)
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n/an/a 0.530n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356105
PNG
(N-(2-(2-(ethylamino)-2- oxoethyl)-4-phenylpyrimidi...)
Show SMILES CCNC(=O)Cc1ncc(NC(=O)c2cc(-c3ccn(C)n3)c(cc2F)C(F)(F)F)c(n1)-c1ccccc1
Show InChI InChI=1S/C26H22F4N6O2/c1-3-31-23(37)13-22-32-14-21(24(34-22)15-7-5-4-6-8-15)33-25(38)17-11-16(20-9-10-36(2)35-20)18(12-19(17)27)26(28,29)30/h4-12,14H,3,13H2,1-2H3,(H,31,37)(H,33,38)
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n/an/a 0.530n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356128
PNG
(US9815846, Compound 128)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cnc(CCC(N)=O)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C25H20F4N6O2/c1-35-10-9-19(34-35)15-11-16(18(26)12-17(15)25(27,28)29)24(37)32-20-13-31-22(8-7-21(30)36)33-23(20)14-5-3-2-4-6-14/h2-6,9-13H,7-8H2,1H3,(H2,30,36)(H,32,37)
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n/an/a 0.540n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356151
PNG
(N-(6-acetyl-2-phenyl-5,6,7,8- tetrahydro-1,6-napht...)
Show SMILES CC(=O)N1CCc2nc(c(NC(=O)c3cc(-c4ccn(C)n4)c(cc3Cl)C(F)(F)F)cc2C1)-c1ccccc1
Show InChI InChI=1S/C28H23ClF3N5O2/c1-16(38)37-11-9-23-18(15-37)12-25(26(33-23)17-6-4-3-5-7-17)34-27(39)20-13-19(24-8-10-36(2)35-24)21(14-22(20)29)28(30,31)32/h3-8,10,12-14H,9,11,15H2,1-2H3,(H,34,39)
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n/an/a 0.540n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356072
PNG
((S)-2-fluoro-N-(6-((2-hydroxy- N-methylpropanamido...)
Show SMILES C[C@H](O)C(=O)N(C)Cc1ccc(NC(=O)c2cc(-c3ccn(C)n3)c(cc2F)C(F)(F)F)c(n1)-c1ccccc1
Show InChI InChI=1S/C28H25F4N5O3/c1-16(38)27(40)36(2)15-18-9-10-24(25(33-18)17-7-5-4-6-8-17)34-26(39)20-13-19(23-11-12-37(3)35-23)21(14-22(20)29)28(30,31)32/h4-14,16,38H,15H2,1-3H3,(H,34,39)/t16-/m0/s1
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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 US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356135
PNG
(US9815846, Compound 135)
Show SMILES CN(C)CCc1ccccc1-c1nc(C)ncc1NC(=O)c1cc(-c2ccn(C)n2)c(cc1F)C(F)(F)F
Show InChI InChI=1S/C27H26F4N6O/c1-16-32-15-24(25(33-16)18-8-6-5-7-17(18)9-11-36(2)3)34-26(38)20-13-19(23-10-12-37(4)35-23)21(14-22(20)28)27(29,30)31/h5-8,10,12-15H,9,11H2,1-4H3,(H,34,38)
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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 US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356198
PNG
(US9815846, Compound 198)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2ccc(nc2-c2ccccc2)C2CNC(=O)C2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C27H21F4N5O2/c1-36-10-9-22(35-36)17-12-18(20(28)13-19(17)27(29,30)31)26(38)34-23-8-7-21(16-11-24(37)32-14-16)33-25(23)15-5-3-2-4-6-15/h2-10,12-13,16H,11,14H2,1H3,(H,32,37)(H,34,38)
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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 US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356085
PNG
((S)-5-(2-fluoro-5-(1-methyl-1H- pyrazol-3-yl)-4- (...)
Show SMILES C[C@@H](CO)NC(=O)c1cnc(c(NC(=O)c2cc(-c3ccn(C)n3)c(cc2F)C(F)(F)F)c1)-c1ccccc1
Show InChI InChI=1S/C27H23F4N5O3/c1-15(14-37)33-25(38)17-10-23(24(32-13-17)16-6-4-3-5-7-16)34-26(39)19-11-18(22-8-9-36(2)35-22)20(12-21(19)28)27(29,30)31/h3-13,15,37H,14H2,1-2H3,(H,33,38)(H,34,39)/t15-/m0/s1
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n/an/a 0.580n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356169
PNG
(2-(5-(2-fluoro-5-(pyrimidin-2- yl)-4- (trifluorome...)
Show SMILES NC(=O)c1cnc(nc1)-c1cnc(c(NC(=O)c2cc(-c3ncccn3)c(cc2F)C(F)(F)F)c1)-c1ccccc1
Show InChI InChI=1S/C28H17F4N7O2/c29-21-11-20(28(30,31)32)18(26-34-7-4-8-35-26)10-19(21)27(41)39-22-9-16(25-37-13-17(14-38-25)24(33)40)12-36-23(22)15-5-2-1-3-6-15/h1-14H,(H2,33,40)(H,39,41)
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n/an/a 0.590n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356099
PNG
(US9815846, Compound 99)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cnc(CC(N)=O)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C24H18F4N6O2/c1-34-8-7-18(33-34)14-9-15(17(25)10-16(14)24(26,27)28)23(36)31-19-12-30-21(11-20(29)35)32-22(19)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H2,29,35)(H,31,36)
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n/an/a 0.590n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356061
PNG
((S or R)-N-(6-((2,3- dihydroxypropanamido)methyl)-...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2ccc(CNC(=O)C(O)CO)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C27H23F4N5O4/c1-36-10-9-21(35-36)17-11-18(20(28)12-19(17)27(29,30)31)25(39)34-22-8-7-16(13-32-26(40)23(38)14-37)33-24(22)15-5-3-2-4-6-15/h2-12,23,37-38H,13-14H2,1H3,(H,32,40)(H,34,39)
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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 US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356228
PNG
((R or S)-2-fluoro-N-(2-((5- (hydroxymethyl)-2- oxo...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cnc(CN3CC(CO)OC3=O)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C27H22F4N6O4/c1-36-8-7-21(35-36)17-9-18(20(28)10-19(17)27(29,30)31)25(39)33-22-11-32-23(13-37-12-16(14-38)41-26(37)40)34-24(22)15-5-3-2-4-6-15/h2-11,16,38H,12-14H2,1H3,(H,33,39)
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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 US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356187
PNG
(US9815846, Compound 187)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cnc(CN3C(=O)CCC3=O)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C27H20F4N6O3/c1-36-10-9-20(35-36)16-11-17(19(28)12-18(16)27(29,30)31)26(40)33-21-13-32-22(14-37-23(38)7-8-24(37)39)34-25(21)15-5-3-2-4-6-15/h2-6,9-13H,7-8,14H2,1H3,(H,33,40)
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n/an/a 0.680n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356168
PNG
(2-fluoro-N-(5-(hydroxymethyl)- 6'-phenyl-[2,3'-bip...)
Show SMILES OCc1ccc(nc1)-c1cnc(c(NC(=O)c2cc(-c3ncccn3)c(cc2F)C(F)(F)F)c1)-c1ccccc1
Show InChI InChI=1S/C29H19F4N5O2/c30-23-13-22(29(31,32)33)20(27-34-9-4-10-35-27)12-21(23)28(40)38-25-11-19(24-8-7-17(16-39)14-36-24)15-37-26(25)18-5-2-1-3-6-18/h1-15,39H,16H2,(H,38,40)
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DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.680n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356034
PNG
(N-(2-(cyanomethyl)-4- phenylpyrimidin-5-yl)-2-fluo...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cnc(CC#N)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C24H16F4N6O/c1-34-10-8-19(33-34)15-11-16(18(25)12-17(15)24(26,27)28)23(35)31-20-13-30-21(7-9-29)32-22(20)14-5-3-2-4-6-14/h2-6,8,10-13H,7H2,1H3,(H,31,35)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
PC cid
PC sid
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 US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356104
PNG
(2-fluoro-5-(1-methyl-1H- pyrazol-3-yl)-N-(2-(2- (m...)
Show SMILES CNC(=O)Cc1ncc(NC(=O)c2cc(-c3ccn(C)n3)c(cc2F)C(F)(F)F)c(n1)-c1ccccc1
Show InChI InChI=1S/C25H20F4N6O2/c1-30-22(36)12-21-31-13-20(23(33-21)14-6-4-3-5-7-14)32-24(37)16-10-15(19-8-9-35(2)34-19)17(11-18(16)26)25(27,28)29/h3-11,13H,12H2,1-2H3,(H,30,36)(H,32,37)
PDB
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.760n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356154
PNG
(3-(2-fluoro-5-(1-methyl-1H- pyrazol-3-yl)-4- (trif...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cc3CN(CCc3nc2-c2ccccc2)C(N)=O)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C27H22F4N6O2/c1-36-9-7-22(35-36)17-12-18(20(28)13-19(17)27(29,30)31)25(38)34-23-11-16-14-37(26(32)39)10-8-21(16)33-24(23)15-5-3-2-4-6-15/h2-7,9,11-13H,8,10,14H2,1H3,(H2,32,39)(H,34,38)
PDB
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.760n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356102
PNG
(US9815846, Compound 102)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2ccc(CC(N)=O)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C25H19F4N5O2/c1-34-10-9-20(33-34)16-12-17(19(26)13-18(16)25(27,28)29)24(36)32-21-8-7-15(11-22(30)35)31-23(21)14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3,(H2,30,35)(H,32,36)
PDB
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UniProtKB/SwissProt

B.MOAD
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GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.790n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356061
PNG
((S or R)-N-(6-((2,3- dihydroxypropanamido)methyl)-...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2ccc(CNC(=O)C(O)CO)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C27H23F4N5O4/c1-36-10-9-21(35-36)17-11-18(20(28)12-19(17)27(29,30)31)25(39)34-22-8-7-16(13-32-26(40)23(38)14-37)33-24(22)15-5-3-2-4-6-15/h2-12,23,37-38H,13-14H2,1H3,(H,32,40)(H,34,39)
PDB
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UniProtKB/SwissProt

B.MOAD
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GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.790n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356076
PNG
(US9815846, Compound 76)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cnc(CNC(N)=O)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C24H19F4N7O2/c1-35-8-7-18(34-35)14-9-15(17(25)10-16(14)24(26,27)28)22(36)32-19-11-30-20(12-31-23(29)37)33-21(19)13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,32,36)(H3,29,31,37)
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
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 US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356156
PNG
(N-(6-glycyl-2-phenyl-5,6,7,8- tetrahydro-1,6-napht...)
Show SMILES Cn1ccc(n1)-c1cc(ccc1C(F)(F)F)C(=O)Nc1cc2CN(CCc2nc1-c1ccccc1)C(=O)CN
Show InChI InChI=1S/C28H25F3N6O2/c1-36-11-9-23(35-36)20-13-18(7-8-21(20)28(29,30)31)27(39)34-24-14-19-16-37(25(38)15-32)12-10-22(19)33-26(24)17-5-3-2-4-6-17/h2-9,11,13-14H,10,12,15-16,32H2,1H3,(H,34,39)
PDB
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UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356077
PNG
(2-fluoro-5-(1-methyl-1H- pyrazol-3-yl)-N-(2-((2- o...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cnc(CN3CCNC3=O)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C26H21F4N7O2/c1-36-9-7-20(35-36)16-11-17(19(27)12-18(16)26(28,29)30)24(38)33-21-13-32-22(14-37-10-8-31-25(37)39)34-23(21)15-5-3-2-4-6-15/h2-7,9,11-13H,8,10,14H2,1H3,(H,31,39)(H,33,38)
PDB
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UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356220
PNG
(2-fluoro-5-(1-methyl-1H- pyrazol-3-yl)-N-(2-((2- o...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cnc(CN3CCCCC3=O)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C28H24F4N6O2/c1-37-12-10-22(36-37)18-13-19(21(29)14-20(18)28(30,31)32)27(40)34-23-15-33-24(16-38-11-6-5-9-25(38)39)35-26(23)17-7-3-2-4-8-17/h2-4,7-8,10,12-15H,5-6,9,11,16H2,1H3,(H,34,40)
PDB
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UniProtKB/SwissProt

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PC cid
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UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356179
PNG
(US9815846, Compound 179)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cnc(Cc3nnnn3C)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C25H19F4N9O/c1-37-9-8-19(34-37)15-10-16(18(26)11-17(15)25(27,28)29)24(39)31-20-13-30-21(12-22-33-35-36-38(22)2)32-23(20)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,31,39)
PDB
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UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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


(Homo sapiens (Human))
BDBM356073
PNG
((R)-N-(2-((2- aminopropanamido)methyl)-4- phenylpy...)
Show SMILES C[C@@H](N)C(=O)NCc1ncc(NC(=O)c2cc(-c3ccn(C)n3)c(cc2F)C(F)(F)F)c(n1)-c1ccccc1
Show InChI InChI=1S/C26H23F4N7O2/c1-14(31)24(38)33-13-22-32-12-21(23(35-22)15-6-4-3-5-7-15)34-25(39)17-10-16(20-8-9-37(2)36-20)18(11-19(17)27)26(28,29)30/h3-12,14H,13,31H2,1-2H3,(H,33,38)(H,34,39)/t14-/m1/s1
PDB
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UniProtKB/SwissProt

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UniChem
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9815846 (2017)

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