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PubMed code 27779399

Compile data set for download or QSAR
Found 22 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))
BDBM164885
PNG
(US10166239, Ex. 3-1 | US11406644, Example 3-1 | US...)
Show SMILES COc1ccc(COc2ccc(Cn3c(N)nc4cc(ccc34)-c3cnn(C)c3)cc2OC)cc1
Show InChI InChI=1S/C27H27N5O3/c1-31-16-21(14-29-31)20-7-10-24-23(13-20)30-27(28)32(24)15-19-6-11-25(26(12-19)34-3)35-17-18-4-8-22(33-2)9-5-18/h4-14,16H,15,17H2,1-3H3,(H2,28,30)
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n/an/a 0.300n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


J Med Chem 60: 66-88 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00964
BindingDB Entry DOI: 10.7270/Q2C24ZCR
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM164885
PNG
(US10166239, Ex. 3-1 | US11406644, Example 3-1 | US...)
Show SMILES COc1ccc(COc2ccc(Cn3c(N)nc4cc(ccc34)-c3cnn(C)c3)cc2OC)cc1
Show InChI InChI=1S/C27H27N5O3/c1-31-16-21(14-29-31)20-7-10-24-23(13-20)30-27(28)32(24)15-19-6-11-25(26(12-19)34-3)35-17-18-4-8-22(33-2)9-5-18/h4-14,16H,15,17H2,1-3H3,(H2,28,30)
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n/an/a 0.300n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human TrkB cytoplasmic domain (456 to 822 amino acids) pre-incubated for 15 mins before peptide substrate additio...


J Med Chem 60: 66-88 (2017)


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


(Homo sapiens (Human))
BDBM50197620
PNG
(CHEMBL3921392 | US9815846, Compound 49)
Show SMILES CC(=O)NCc1ncc(NC(=O)c2ccc(c(c2)-c2ccn(C)n2)C(F)(F)F)c(n1)-c1ccccc1
Show InChI InChI=1S/C25H21F3N6O2/c1-15(35)29-14-22-30-13-21(23(32-22)16-6-4-3-5-7-16)31-24(36)17-8-9-19(25(26,27)28)18(12-17)20-10-11-34(2)33-20/h3-13H,14H2,1-2H3,(H,29,35)(H,31,36)
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n/an/a 4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TrkA (unknown origin) by cell based assay


J Med Chem 60: 66-88 (2017)


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


(Homo sapiens (Human))
BDBM136597
PNG
(US10005783, 14 | US10047097, 14 | US10774085, Exam...)
Show SMILES O[C@H]1CCN(C1)C(=O)Nc1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r|
Show InChI InChI=1S/C21H22F2N6O2/c22-13-3-4-16(23)15(10-13)18-2-1-7-28(18)19-6-9-29-20(26-19)17(11-24-29)25-21(31)27-8-5-14(30)12-27/h3-4,6,9-11,14,18,30H,1-2,5,7-8,12H2,(H,25,31)/t14-,18+/m0/s1
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n/an/a 9.70n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TrkA (unknown origin) by cell based assay


J Med Chem 60: 66-88 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00964
BindingDB Entry DOI: 10.7270/Q2C24ZCR
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM136597
PNG
(US10005783, 14 | US10047097, 14 | US10774085, Exam...)
Show SMILES O[C@H]1CCN(C1)C(=O)Nc1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r|
Show InChI InChI=1S/C21H22F2N6O2/c22-13-3-4-16(23)15(10-13)18-2-1-7-28(18)19-6-9-29-20(26-19)17(11-24-29)25-21(31)27-8-5-14(30)12-27/h3-4,6,9-11,14,18,30H,1-2,5,7-8,12H2,(H,25,31)/t14-,18+/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TrkB (unknown origin) by cell based assay


J Med Chem 60: 66-88 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00964
BindingDB Entry DOI: 10.7270/Q2C24ZCR
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM136597
PNG
(US10005783, 14 | US10047097, 14 | US10774085, Exam...)
Show SMILES O[C@H]1CCN(C1)C(=O)Nc1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r|
Show InChI InChI=1S/C21H22F2N6O2/c22-13-3-4-16(23)15(10-13)18-2-1-7-28(18)19-6-9-29-20(26-19)17(11-24-29)25-21(31)27-8-5-14(30)12-27/h3-4,6,9-11,14,18,30H,1-2,5,7-8,12H2,(H,25,31)/t14-,18+/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TrkC (unknown origin) by cell based assay


J Med Chem 60: 66-88 (2017)


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


(Homo sapiens (Human))
BDBM50197616
PNG
(CHEMBL3930625)
Show SMILES OC(=O)c1ccc(Nc2cc(N3CCN(CC3)C3CCCCC3)c3noc4-c5ccccc5C(=O)c2c34)cc1
Show InChI InChI=1S/C31H30N4O4/c36-29-22-8-4-5-9-23(22)30-27-26(29)24(32-20-12-10-19(11-13-20)31(37)38)18-25(28(27)33-39-30)35-16-14-34(15-17-35)21-6-2-1-3-7-21/h4-5,8-13,18,21,32H,1-3,6-7,14-17H2,(H,37,38)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of NGF-stimulated TrkA phosphorylation in human U2OS cells by beta-galactosidase reporter gene based PathHunter profiling assay


J Med Chem 60: 66-88 (2017)


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


(Homo sapiens (Human))
BDBM50197618
PNG
(CHEMBL3901030)
Show SMILES Cc1c(NC(=O)Nc2cc(nn2-c2ccccc2)C(F)(F)F)n(nc1-c1cnn(C)c1)-c1ccccc1
Show InChI InChI=1S/C25H21F3N8O/c1-16-22(17-14-29-34(2)15-17)33-36(19-11-7-4-8-12-19)23(16)31-24(37)30-21-13-20(25(26,27)28)32-35(21)18-9-5-3-6-10-18/h3-15H,1-2H3,(H2,30,31,37)
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n/an/a<100n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human TrkA using Alexa-Fluor tracer-236 incubated for 60 mins by TR-FRET based Lantha-screen Eu kinase binding a...


J Med Chem 60: 66-88 (2017)


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


(Homo sapiens (Human))
BDBM50197617
PNG
(CHEMBL3953405)
Show SMILES Cc1c(NC(=O)Nc2sc(nc2-c2ccccc2)C(F)(F)F)n(nc1-c1cnn(C)c1)-c1ccccc1
Show InChI InChI=1S/C25H20F3N7OS/c1-15-19(17-13-29-34(2)14-17)33-35(18-11-7-4-8-12-18)21(15)31-24(36)32-22-20(16-9-5-3-6-10-16)30-23(37-22)25(26,27)28/h3-14H,1-2H3,(H2,31,32,36)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human TrkA using Alexa-Fluor tracer-236 incubated for 60 mins by TR-FRET based Lantha-screen Eu kinase binding a...


J Med Chem 60: 66-88 (2017)


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


(Homo sapiens (Human))
BDBM50197619
PNG
(CHEMBL3911923)
Show SMILES COCCCc1cc(Cl)c(Cl)cc1NC(=O)Nc1c(C)c(nn1-c1ccccc1)-c1cnn(C)c1
Show InChI InChI=1S/C25H26Cl2N6O2/c1-16-23(18-14-28-32(2)15-18)31-33(19-9-5-4-6-10-19)24(16)30-25(34)29-22-13-21(27)20(26)12-17(22)8-7-11-35-3/h4-6,9-10,12-15H,7-8,11H2,1-3H3,(H2,29,30,34)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human TrkA using Alexa-Fluor tracer-236 incubated for 60 mins by TR-FRET based Lantha-screen Eu kinase binding a...


J Med Chem 60: 66-88 (2017)


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


(Homo sapiens (Human))
BDBM50197615
PNG
(CHEMBL3939636)
Show SMILES COCc1ccc2cccc(NC(=O)Nc3c(C)c(nn3-c3ccccc3)-c3cnn(C)c3)c2c1
Show InChI InChI=1S/C27H26N6O2/c1-18-25(21-15-28-32(2)16-21)31-33(22-9-5-4-6-10-22)26(18)30-27(34)29-24-11-7-8-20-13-12-19(17-35-3)14-23(20)24/h4-16H,17H2,1-3H3,(H2,29,30,34)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human TrkA using Alexa-Fluor tracer-236 incubated for 60 mins by TR-FRET based Lantha-screen Eu kinase binding a...


J Med Chem 60: 66-88 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00964
BindingDB Entry DOI: 10.7270/Q2C24ZCR
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM164885
PNG
(US10166239, Ex. 3-1 | US11406644, Example 3-1 | US...)
Show SMILES COc1ccc(COc2ccc(Cn3c(N)nc4cc(ccc34)-c3cnn(C)c3)cc2OC)cc1
Show InChI InChI=1S/C27H27N5O3/c1-31-16-21(14-29-31)20-7-10-24-23(13-20)30-27(28)32(24)15-19-6-11-25(26(12-19)34-3)35-17-18-4-8-22(33-2)9-5-18/h4-14,16H,15,17H2,1-3H3,(H2,28,30)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human TrkC catalytic domain (456 to 825 amino acids) using fluorescence-labeled substrate by off-chip mobility sh...


J Med Chem 60: 66-88 (2017)


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


(Rattus norvegicus)
BDBM50111443
PNG
(2-(2-Hydroxy-ethylamino)-5-nitro-benzo[de]isoquino...)
Show SMILES OCCNN1C(=O)c2cccc3cc(cc(C1=O)c23)[N+]([O-])=O
Show InChI InChI=1S/C14H11N3O5/c18-5-4-15-16-13(19)10-3-1-2-8-6-9(17(21)22)7-11(12(8)10)14(16)20/h1-3,6-7,15,18H,4-5H2
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n/an/a 5.88E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-NGF to TrkA in rat PC12 cells incubated for 2 hrs by gamma counting method


J Med Chem 60: 66-88 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00964
BindingDB Entry DOI: 10.7270/Q2C24ZCR
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50197616
PNG
(CHEMBL3930625)
Show SMILES OC(=O)c1ccc(Nc2cc(N3CCN(CC3)C3CCCCC3)c3noc4-c5ccccc5C(=O)c2c34)cc1
Show InChI InChI=1S/C31H30N4O4/c36-29-22-8-4-5-9-23(22)30-27-26(29)24(32-20-12-10-19(11-13-20)31(37)38)18-25(28(27)33-39-30)35-16-14-34(15-17-35)21-6-2-1-3-7-21/h4-5,8-13,18,21,32H,1-3,6-7,14-17H2,(H,37,38)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BDNF-stimulated TrkB phosphorylation in human U2OS cells by beta-galactosidase reporter gene based PathHunter profiling assay


J Med Chem 60: 66-88 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00964
BindingDB Entry DOI: 10.7270/Q2C24ZCR
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50197616
PNG
(CHEMBL3930625)
Show SMILES OC(=O)c1ccc(Nc2cc(N3CCN(CC3)C3CCCCC3)c3noc4-c5ccccc5C(=O)c2c34)cc1
Show InChI InChI=1S/C31H30N4O4/c36-29-22-8-4-5-9-23(22)30-27-26(29)24(32-20-12-10-19(11-13-20)31(37)38)18-25(28(27)33-39-30)35-16-14-34(15-17-35)21-6-2-1-3-7-21/h4-5,8-13,18,21,32H,1-3,6-7,14-17H2,(H,37,38)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of NT3-stimulated TrkC phosphorylation in human U2OS cells by beta-galactosidase reporter gene based PathHunter profiling assay


J Med Chem 60: 66-88 (2017)


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


(Homo sapiens (Human))
BDBM50396070
PNG
(CHEMBL1397270)
Show SMILES Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C)c2cc1C=O
Show InChI InChI=1S/C13H10N4O3/c1-6-3-8-9(4-7(6)5-18)17(2)11-10(14-8)12(19)16-13(20)15-11/h3-5H,1-2H3,(H,16,19,20)
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n/an/a 3.30E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse NGF binding to TrkA (unknown origin) by SPR method


J Med Chem 60: 66-88 (2017)


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


(Homo sapiens (Human))
BDBM50029495
PNG
(7-Benzoylamino-4-methyl-9-oxo-4,9-dihydro-pyrazolo...)
Show SMILES Cn1c2cc(nn2c(=O)c2cc(NC(=O)c3ccccc3)ccc12)C(O)=O
Show InChI InChI=1S/C19H14N4O4/c1-22-15-8-7-12(20-17(24)11-5-3-2-4-6-11)9-13(15)18(25)23-16(22)10-14(21-23)19(26)27/h2-10H,1H3,(H,20,24)(H,26,27)
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n/an/a 4.70E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse NGF binding to TrkA (unknown origin) by SPR method


J Med Chem 60: 66-88 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00964
BindingDB Entry DOI: 10.7270/Q2C24ZCR
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 16


(Homo sapiens (Human))
BDBM50029495
PNG
(7-Benzoylamino-4-methyl-9-oxo-4,9-dihydro-pyrazolo...)
Show SMILES Cn1c2cc(nn2c(=O)c2cc(NC(=O)c3ccccc3)ccc12)C(O)=O
Show InChI InChI=1S/C19H14N4O4/c1-22-15-8-7-12(20-17(24)11-5-3-2-4-6-11)9-13(15)18(25)23-16(22)10-14(21-23)19(26)27/h2-10H,1H3,(H,20,24)(H,26,27)
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n/an/a 1.10E+5n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse NGF binding to p75 (unknown origin) by SPR method


J Med Chem 60: 66-88 (2017)


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


(Homo sapiens (Human))
BDBM50111443
PNG
(2-(2-Hydroxy-ethylamino)-5-nitro-benzo[de]isoquino...)
Show SMILES OCCNN1C(=O)c2cccc3cc(cc(C1=O)c23)[N+]([O-])=O
Show InChI InChI=1S/C14H11N3O5/c18-5-4-15-16-13(19)10-3-1-2-8-6-9(17(21)22)7-11(12(8)10)14(16)20/h1-3,6-7,15,18H,4-5H2
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n/an/a 1.49E+5n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse NGF binding to TrkA (unknown origin) by SPR method


J Med Chem 60: 66-88 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00964
BindingDB Entry DOI: 10.7270/Q2C24ZCR
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 16


(Homo sapiens (Human))
BDBM50396070
PNG
(CHEMBL1397270)
Show SMILES Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C)c2cc1C=O
Show InChI InChI=1S/C13H10N4O3/c1-6-3-8-9(4-7(6)5-18)17(2)11-10(14-8)12(19)16-13(20)15-11/h3-5H,1-2H3,(H,16,19,20)
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n/an/a 2.44E+5n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse NGF binding to p75 (unknown origin) by SPR method


J Med Chem 60: 66-88 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00964
BindingDB Entry DOI: 10.7270/Q2C24ZCR
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 16


(Homo sapiens (Human))
BDBM50111443
PNG
(2-(2-Hydroxy-ethylamino)-5-nitro-benzo[de]isoquino...)
Show SMILES OCCNN1C(=O)c2cccc3cc(cc(C1=O)c23)[N+]([O-])=O
Show InChI InChI=1S/C14H11N3O5/c18-5-4-15-16-13(19)10-3-1-2-8-6-9(17(21)22)7-11(12(8)10)14(16)20/h1-3,6-7,15,18H,4-5H2
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n/an/a>3.00E+5n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse NGF binding to p75 (unknown origin) by SPR method


J Med Chem 60: 66-88 (2017)


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


(Rattus norvegicus)
BDBM50111443
PNG
(2-(2-Hydroxy-ethylamino)-5-nitro-benzo[de]isoquino...)
Show SMILES OCCNN1C(=O)c2cccc3cc(cc(C1=O)c23)[N+]([O-])=O
Show InChI InChI=1S/C14H11N3O5/c18-5-4-15-16-13(19)10-3-1-2-8-6-9(17(21)22)7-11(12(8)10)14(16)20/h1-3,6-7,15,18H,4-5H2
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n/an/an/an/a 2.20E+4n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of NGF-induced TrkA auto-phosphorylation in rat PC12 cells incubated for 15 mins by chemiluminescence based method


J Med Chem 60: 66-88 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00964
BindingDB Entry DOI: 10.7270/Q2C24ZCR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%