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Compile Data Set for Download or QSAR

Found 6 hits of ic50 for UniProtKB: P35739   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
High affinity nerve growth factor receptor


(Rattus norvegicus)
BDBM226354
PNG
(US9328096, 47)
Show SMILES CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1
Show InChI InChI=1S/C26H23Cl2N5O3/c1-26(2,36)15-30-25(35)22-14-23(33(32-22)16-8-4-3-5-9-16)31-24(34)18-12-17(19(27)13-20(18)28)21-10-6-7-11-29-21/h3-14,36H,15H2,1-2H3,(H,30,35)(H,31,34)
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n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at unphosphorylated rat TrkA expressed in baculovirus expression system preincubated for 20 mins followed by TK-substrate-Biotin ...


J Med Chem 62: 247-265 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00280
BindingDB Entry DOI: 10.7270/Q2QR51CZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
High affinity nerve growth factor receptor


(Rattus norvegicus)
BDBM50502896
PNG
(CHEMBL4458913)
Show SMILES Cc1ccc2nc(CSc3nnc(NC(=O)Nc4cccc(c4)C(F)(F)F)s3)cc(=O)n2c1
Show InChI InChI=1S/C20H15F3N6O2S2/c1-11-5-6-15-24-14(8-16(30)29(15)9-11)10-32-19-28-27-18(33-19)26-17(31)25-13-4-2-3-12(7-13)20(21,22)23/h2-9H,10H2,1H3,(H2,25,26,27,31)
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n/an/a 34n/an/an/an/an/an/a



Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of TrkA in rat PC12 cells assessed as reduction in beta-NGF-induced neurite outgrowth preincubated for 30 mins followed by beta-NGF stimul...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126680
BindingDB Entry DOI: 10.7270/Q2280BVB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
High affinity nerve growth factor receptor


(Rattus norvegicus)
BDBM226354
PNG
(US9328096, 47)
Show SMILES CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1
Show InChI InChI=1S/C26H23Cl2N5O3/c1-26(2,36)15-30-25(35)22-14-23(33(32-22)16-8-4-3-5-9-16)31-24(34)18-12-17(19(27)13-20(18)28)21-10-6-7-11-29-21/h3-14,36H,15H2,1-2H3,(H,30,35)(H,31,34)
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n/an/a 57n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at TrkA in rat DRG assessed as inhibition of NGF-induced ERK phosphorylation preincubated for 60 mins followed by NGF addition an...


J Med Chem 62: 247-265 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00280
BindingDB Entry DOI: 10.7270/Q2QR51CZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
High affinity nerve growth factor receptor


(Rattus norvegicus)
BDBM50525706
PNG
(CHEMBL4447685)
Show SMILES CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc(cc2)-n2cnnn2)n(n1)-c1ccccc1
Show InChI InChI=1S/C23H23N7O3/c1-23(2,3)19-13-20(30(26-19)18-7-5-4-6-8-18)25-21(31)14-33-22(32)16-9-11-17(12-10-16)29-15-24-27-28-29/h4-13,15H,14H2,1-3H3,(H,25,31)
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n/an/a 429n/an/an/an/an/an/a



Zoetis

Curated by ChEMBL


Assay Description
Inhibition of TrkA in rat PC12 cells assessed as reduction in beta-NGF-induced neurite outgrowth incubated for 7 days by live cell imaging analysis


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126624
BindingDB Entry DOI: 10.7270/Q2BV7M2B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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CHEMBL
MCE
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Patents

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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
High affinity nerve growth factor receptor


(Rattus norvegicus)
BDBM50525709
PNG
(CHEMBL4555143)
Show SMILES CC(C)(C)c1cc(NC(=O)CSc2nnnn2-c2ccccc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C22H23N7OS/c1-22(2,3)18-14-19(28(25-18)16-10-6-4-7-11-16)23-20(30)15-31-21-24-26-27-29(21)17-12-8-5-9-13-17/h4-14H,15H2,1-3H3,(H,23,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Zoetis

Curated by ChEMBL


Assay Description
Inhibition of TrkA in rat PC12 cells assessed as reduction in beta-NGF-induced neurite outgrowth incubated for 7 days by live cell imaging analysis


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126624
BindingDB Entry DOI: 10.7270/Q2BV7M2B
More data for this
Ligand-Target Pair