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PubMed code 31610943

Compile Data Set for Download or QSAR

Found 354 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))		BDBM50392788
PNG
(CHEMBL457614)
Show SMILES CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)[nH]n1 |r|
Show InChI InChI=1S/C17H19ClFN7O/c1-9(2)27-15-6-14(25-26-15)23-16-12(18)8-21-17(24-16)22-10(3)13-5-4-11(19)7-20-13/h4-10H,1-3H3,(H3,21,22,23,24,25,26)/t10-/m0/s1
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 0.360n/an/an/an/an/an/an/an/a



Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of human active TRKA assessed as decrease in substrate phosphorylation incubated for 2 hrs using CSKtide as substrate in presence of ATP m...

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


(Homo sapiens (Human))		BDBM50392788
PNG
(CHEMBL457614)
Show SMILES CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)[nH]n1 |r|
Show InChI InChI=1S/C17H19ClFN7O/c1-9(2)27-15-6-14(25-26-15)23-16-12(18)8-21-17(24-16)22-10(3)13-5-4-11(19)7-20-13/h4-10H,1-3H3,(H3,21,22,23,24,25,26)/t10-/m0/s1
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 3.70n/an/an/an/an/an/an/an/a



Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of human inactive TRKA assessed as decrease in substrate phosphorylation incubated for 2 hrs using CSKtide as substrate in presence of ATP...

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


(Homo sapiens (Human))		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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 21n/an/an/an/an/an/an/an/a



Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of human inactive TRKA assessed as decrease in substrate phosphorylation incubated for 2 hrs using CSKtide as substrate in presence of ATP...

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


(Homo sapiens (Human))		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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 67n/an/an/an/an/an/an/an/a



Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of human active TRKA assessed as decrease in substrate phosphorylation incubated for 2 hrs using CSKtide as substrate in presence of ATP m...

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


(Homo sapiens (Human))		BDBM50502883
PNG
(CHEMBL4444901)
Show SMILES COc1ccc(OC)c(NC(=O)Nc2nnc(SCc3cc(=O)n4cc(C)ccc4n3)s2)c1
Show InChI InChI=1S/C21H20N6O4S2/c1-12-4-7-17-22-13(8-18(28)27(17)10-12)11-32-21-26-25-20(33-21)24-19(29)23-15-9-14(30-2)5-6-16(15)31-3/h4-10H,11H2,1-3H3,(H2,23,24,25,29)
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n/an/a 2.20n/an/an/an/an/an/a



Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502881
PNG
(CHEMBL4577285)
Show SMILES COc1ccccc1NC(=O)Nc1nnc(SCc2cc(=O)n3cccc(C)c3n2)s1
Show InChI InChI=1S/C20H18N6O3S2/c1-12-6-5-9-26-16(27)10-13(21-17(12)26)11-30-20-25-24-19(31-20)23-18(28)22-14-7-3-4-8-15(14)29-2/h3-10H,11H2,1-2H3,(H2,22,23,24,28)
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n/an/a 3.80n/an/an/an/an/an/a



Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502933
PNG
(CHEMBL4573890)
Show SMILES COc1ccc(C)cc1NC(=O)Nc1nnc(SCc2cc(=O)n3cccc(C)c3n2)s1
Show InChI InChI=1S/C21H20N6O3S2/c1-12-6-7-16(30-3)15(9-12)23-19(29)24-20-25-26-21(32-20)31-11-14-10-17(28)27-8-4-5-13(2)18(27)22-14/h4-10H,11H2,1-3H3,(H2,23,24,25,29)
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n/an/a 6.80n/an/an/an/an/an/a



Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502970
PNG
(CHEMBL4524989)
Show SMILES COc1ccccc1NC(=O)Nc1nnc(SCc2cc(=O)n3ccc(C)cc3n2)s1
Show InChI InChI=1S/C20H18N6O3S2/c1-12-7-8-26-16(9-12)21-13(10-17(26)27)11-30-20-25-24-19(31-20)23-18(28)22-14-5-3-4-6-15(14)29-2/h3-10H,11H2,1-2H3,(H2,22,23,24,28)
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n/an/a 7.70n/an/an/an/an/an/a



Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502956
PNG
(CHEMBL4461600)
Show SMILES COc1ccc(OC)c(NC(=O)Nc2nnc(SCc3cc(=O)n4ccc(C)cc4n3)s2)c1
Show InChI InChI=1S/C21H20N6O4S2/c1-12-6-7-27-17(8-12)22-13(9-18(27)28)11-32-21-26-25-20(33-21)24-19(29)23-15-10-14(30-2)4-5-16(15)31-3/h4-10H,11H2,1-3H3,(H2,23,24,25,29)
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n/an/a 7.90n/an/an/an/an/an/a



Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502967
PNG
(CHEMBL4466061)
Show SMILES CCc1ccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cccc(C)c4n3)s2)cc1
Show InChI InChI=1S/C21H20N6O2S2/c1-3-14-6-8-15(9-7-14)23-19(29)24-20-25-26-21(31-20)30-12-16-11-17(28)27-10-4-5-13(2)18(27)22-16/h4-11H,3,12H2,1-2H3,(H2,23,24,25,29)
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n/an/a 9.10n/an/an/an/an/an/a



Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		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 10n/an/an/an/an/an/a



Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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


(Homo sapiens (Human))		BDBM50502919
PNG
(CHEMBL4553953)
Show SMILES Cc1cccn2c1nc(CSc1nnc(NC(=O)Nc3cccc(c3)C(F)(F)F)s1)cc2=O
Show InChI InChI=1S/C20H15F3N6O2S2/c1-11-4-3-7-29-15(30)9-14(24-16(11)29)10-32-19-28-27-18(33-19)26-17(31)25-13-6-2-5-12(8-13)20(21,22)23/h2-9H,10H2,1H3,(H2,25,26,27,31)
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n/an/a 12n/an/an/an/an/an/a



Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502908
PNG
(CHEMBL4468419)
Show SMILES CCn1c(CCc2ccc(NC(=O)Nc3cc(Cl)c(OC)cc3OC)cc2)nc2ccccc12
Show InChI InChI=1S/C26H27ClN4O3/c1-4-31-22-8-6-5-7-20(22)29-25(31)14-11-17-9-12-18(13-10-17)28-26(32)30-21-15-19(27)23(33-2)16-24(21)34-3/h5-10,12-13,15-16H,4,11,14H2,1-3H3,(H2,28,30,32)
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n/an/a 12n/an/an/an/an/an/a



Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502897
PNG
(CHEMBL4545062)
Show SMILES CCc1ccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cc(C)ccc4n3)s2)cc1
Show InChI InChI=1S/C21H20N6O2S2/c1-3-14-5-7-15(8-6-14)23-19(29)24-20-25-26-21(31-20)30-12-16-10-18(28)27-11-13(2)4-9-17(27)22-16/h4-11H,3,12H2,1-2H3,(H2,23,24,25,29)
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n/an/a 19n/an/an/an/an/an/a



Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502978
PNG
(CHEMBL4515321)
Show SMILES COc1cccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cccc(C)c4n3)s2)c1
Show InChI InChI=1S/C20H18N6O3S2/c1-12-5-4-8-26-16(27)10-14(21-17(12)26)11-30-20-25-24-19(31-20)23-18(28)22-13-6-3-7-15(9-13)29-2/h3-10H,11H2,1-2H3,(H2,22,23,24,28)
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n/an/a 19n/an/an/an/an/an/a



Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502871
PNG
(CHEMBL4448181)
Show SMILES CSc1cccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cccc(C)c4n3)s2)c1
Show InChI InChI=1S/C20H18N6O2S3/c1-12-5-4-8-26-16(27)10-14(21-17(12)26)11-30-20-25-24-19(31-20)23-18(28)22-13-6-3-7-15(9-13)29-2/h3-10H,11H2,1-2H3,(H2,22,23,24,28)
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n/an/a 20n/an/an/an/an/an/a



Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502965
PNG
(CHEMBL4467890)
Show SMILES Cc1ccn2c(c1)nc(CSc1nnc(NC(=O)Nc3cccc(c3)C(F)(F)F)s1)cc2=O
Show InChI InChI=1S/C20H15F3N6O2S2/c1-11-5-6-29-15(7-11)24-14(9-16(29)30)10-32-19-28-27-18(33-19)26-17(31)25-13-4-2-3-12(8-13)20(21,22)23/h2-9H,10H2,1H3,(H2,25,26,27,31)
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n/an/a 21n/an/an/an/an/an/a



Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502922
PNG
(CHEMBL4557960)
Show SMILES Cn1c(CCc2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)nc2ccccc12
Show InChI InChI=1S/C24H21F3N4O/c1-31-21-8-3-2-7-20(21)30-22(31)14-11-16-9-12-18(13-10-16)28-23(32)29-19-6-4-5-17(15-19)24(25,26)27/h2-10,12-13,15H,11,14H2,1H3,(H2,28,29,32)
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n/an/a 24n/an/an/an/an/an/a



Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502874
PNG
(CHEMBL4527557)
Show SMILES Cc1ccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cccc(C)c4n3)s2)c(Cl)c1
Show InChI InChI=1S/C20H17ClN6O2S2/c1-11-5-6-15(14(21)8-11)23-18(29)24-19-25-26-20(31-19)30-10-13-9-16(28)27-7-3-4-12(2)17(27)22-13/h3-9H,10H2,1-2H3,(H2,23,24,25,29)
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Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502955
PNG
(CHEMBL4545212)
Show SMILES Cc1ccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cc(C)ccc4n3)s2)cc1
Show InChI InChI=1S/C20H18N6O2S2/c1-12-3-6-14(7-4-12)22-18(28)23-19-24-25-20(30-19)29-11-15-9-17(27)26-10-13(2)5-8-16(26)21-15/h3-10H,11H2,1-2H3,(H2,22,23,24,28)
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Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502951
PNG
(CHEMBL4466950)
Show SMILES CCn1c(CCc2ccc(NC(=O)Nc3cc(OC)ccc3OC)cc2)nc2ccccc12
Show InChI InChI=1S/C26H28N4O3/c1-4-30-23-8-6-5-7-21(23)28-25(30)16-11-18-9-12-19(13-10-18)27-26(31)29-22-17-20(32-2)14-15-24(22)33-3/h5-10,12-15,17H,4,11,16H2,1-3H3,(H2,27,29,31)
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Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502961
PNG
(CHEMBL4592814)
Show SMILES CCn1c(CCc2ccc(NC(=O)Nc3cccc(SC)c3)cc2)nc2ccccc12
Show InChI InChI=1S/C25H26N4OS/c1-3-29-23-10-5-4-9-22(23)28-24(29)16-13-18-11-14-19(15-12-18)26-25(30)27-20-7-6-8-21(17-20)31-2/h4-12,14-15,17H,3,13,16H2,1-2H3,(H2,26,27,30)
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Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502952
PNG
(CHEMBL4590914)
Show SMILES CCn1c(CCc2ccc(NC(=O)Nc3cc(Cl)ccc3OC)cc2)nc2ccccc12
Show InChI InChI=1S/C25H25ClN4O2/c1-3-30-22-7-5-4-6-20(22)28-24(30)15-10-17-8-12-19(13-9-17)27-25(31)29-21-16-18(26)11-14-23(21)32-2/h4-9,11-14,16H,3,10,15H2,1-2H3,(H2,27,29,31)
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Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502943
PNG
(CHEMBL4456764)
Show SMILES COc1ccc(Cl)cc1NC(=O)Nc1ccc(CCc2nc3ccccc3n2C)cc1
Show InChI InChI=1S/C24H23ClN4O2/c1-29-21-6-4-3-5-19(21)27-23(29)14-9-16-7-11-18(12-8-16)26-24(30)28-20-15-17(25)10-13-22(20)31-2/h3-8,10-13,15H,9,14H2,1-2H3,(H2,26,28,30)
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Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502937
PNG
(CHEMBL4563845)
Show SMILES Cn1c(CCc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)nc2ccccc12
Show InChI InChI=1S/C24H21F3N4O/c1-31-21-9-5-4-8-20(21)29-22(31)15-12-16-10-13-17(14-11-16)28-23(32)30-19-7-3-2-6-18(19)24(25,26)27/h2-11,13-14H,12,15H2,1H3,(H2,28,30,32)
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Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502938
PNG
(CHEMBL4443873)
Show SMILES CCOC(=O)c1ccccc1NC(=O)Nc1nnc(SCc2cc(=O)n3cccc(C)c3n2)s1
Show InChI InChI=1S/C22H20N6O4S2/c1-3-32-19(30)15-8-4-5-9-16(15)24-20(31)25-21-26-27-22(34-21)33-12-14-11-17(29)28-10-6-7-13(2)18(28)23-14/h4-11H,3,12H2,1-2H3,(H2,24,25,26,31)
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Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502914
PNG
(CHEMBL4439123)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)c1
Show InChI InChI=1S/C23H19F3N4O/c24-23(25,26)16-4-3-5-18(14-16)28-22(31)27-17-11-8-15(9-12-17)10-13-21-29-19-6-1-2-7-20(19)30-21/h1-9,11-12,14H,10,13H2,(H,29,30)(H2,27,28,31)
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Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
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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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


(Homo sapiens (Human))		BDBM50502894
PNG
(CHEMBL4458775)
Show SMILES Cc1ccn2c(c1)nc(CSc1nnc(NC(=O)Nc3ccc(C)c(Cl)c3)s1)cc2=O
Show InChI InChI=1S/C20H17ClN6O2S2/c1-11-5-6-27-16(7-11)22-14(9-17(27)28)10-30-20-26-25-19(31-20)24-18(29)23-13-4-3-12(2)15(21)8-13/h3-9H,10H2,1-2H3,(H2,23,24,25,29)
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Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502931
PNG
(CHEMBL4450785)
Show SMILES CCn1c(CCc2ccc(NC(=O)Nc3cc(OC)cc(OC)c3)cc2)nc2ccccc12
Show InChI InChI=1S/C26H28N4O3/c1-4-30-24-8-6-5-7-23(24)29-25(30)14-11-18-9-12-19(13-10-18)27-26(31)28-20-15-21(32-2)17-22(16-20)33-3/h5-10,12-13,15-17H,4,11,14H2,1-3H3,(H2,27,28,31)
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Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502945
PNG
(CHEMBL4579043)
Show SMILES Fc1ccc(NC(=O)Nc2nnc(SCc3cc(=O)n4ccccc4n3)s2)cc1
Show InChI InChI=1S/C18H13FN6O2S2/c19-11-4-6-12(7-5-11)21-16(27)22-17-23-24-18(29-17)28-10-13-9-15(26)25-8-2-1-3-14(25)20-13/h1-9H,10H2,(H2,21,22,23,27)
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Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502872
PNG
(CHEMBL4533532)
Show SMILES Fc1ccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cc(Cl)ccc4n3)s2)cc1
Show InChI InChI=1S/C18H12ClFN6O2S2/c19-10-1-6-14-21-13(7-15(27)26(14)8-10)9-29-18-25-24-17(30-18)23-16(28)22-12-4-2-11(20)3-5-12/h1-8H,9H2,(H2,22,23,24,28)
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Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502976
PNG
(CHEMBL4461532)
Show SMILES COc1ccc(Cl)cc1NC(=O)Nc1ccc(CCc2nc3ccccc3[nH]2)cc1
Show InChI InChI=1S/C23H21ClN4O2/c1-30-21-12-9-16(24)14-20(21)28-23(29)25-17-10-6-15(7-11-17)8-13-22-26-18-4-2-3-5-19(18)27-22/h2-7,9-12,14H,8,13H2,1H3,(H,26,27)(H2,25,28,29)
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Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502915
PNG
(CHEMBL4470140)
Show SMILES Cc1ccc(C)c(NC(=O)Nc2nnc(SCc3cc(=O)n4cc(C)ccc4n3)s2)c1
Show InChI InChI=1S/C21H20N6O2S2/c1-12-4-6-14(3)16(8-12)23-19(29)24-20-25-26-21(31-20)30-11-15-9-18(28)27-10-13(2)5-7-17(27)22-15/h4-10H,11H2,1-3H3,(H2,23,24,25,29)
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Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502949
PNG
(CHEMBL4449741)
Show SMILES CCOc1ccccc1NC(=O)Nc1nnc(SCc2cc(=O)n3cccc(C)c3n2)s1
Show InChI InChI=1S/C21H20N6O3S2/c1-3-30-16-9-5-4-8-15(16)23-19(29)24-20-25-26-21(32-20)31-12-14-11-17(28)27-10-6-7-13(2)18(27)22-14/h4-11H,3,12H2,1-2H3,(H2,23,24,25,29)
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Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502892
PNG
(CHEMBL4536149)
Show SMILES CCn1c(CCc2ccc(NC(=O)Nc3cc(C)ccc3OC)cc2)nc2ccccc12
Show InChI InChI=1S/C26H28N4O2/c1-4-30-23-8-6-5-7-21(23)28-25(30)16-12-19-10-13-20(14-11-19)27-26(31)29-22-17-18(2)9-15-24(22)32-3/h5-11,13-15,17H,4,12,16H2,1-3H3,(H2,27,29,31)
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Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502889
PNG
(CHEMBL4561854)
Show SMILES CCn1c(CCc2ccc(NC(=O)Nc3cc(OC)c(OC)c(OC)c3)cc2)nc2ccccc12
Show InChI InChI=1S/C27H30N4O4/c1-5-31-22-9-7-6-8-21(22)30-25(31)15-12-18-10-13-19(14-11-18)28-27(32)29-20-16-23(33-2)26(35-4)24(17-20)34-3/h6-11,13-14,16-17H,5,12,15H2,1-4H3,(H2,28,29,32)
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Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502888
PNG
(CHEMBL4451361)
Show SMILES Cc1ccc2nc(CSc3nnc(NC(=O)Nc4cccc(C)c4C)s3)cc(=O)n2c1
Show InChI InChI=1S/C21H20N6O2S2/c1-12-7-8-17-22-15(9-18(28)27(17)10-12)11-30-21-26-25-20(31-21)24-19(29)23-16-6-4-5-13(2)14(16)3/h4-10H,11H2,1-3H3,(H2,23,24,25,29)
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Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502969
PNG
(CHEMBL4466913)
Show SMILES Cc1cccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cc(C)ccc4n3)s2)c1
Show InChI InChI=1S/C20H18N6O2S2/c1-12-4-3-5-14(8-12)22-18(28)23-19-24-25-20(30-19)29-11-15-9-17(27)26-10-13(2)6-7-16(26)21-15/h3-10H,11H2,1-2H3,(H2,22,23,24,28)
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Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502977
PNG
(CHEMBL4562063)
Show SMILES Cc1ccc2nc(CSc3nnc(NC(=O)Nc4ccccc4C)s3)cc(=O)n2c1
Show InChI InChI=1S/C20H18N6O2S2/c1-12-7-8-16-21-14(9-17(27)26(16)10-12)11-29-20-25-24-19(30-20)23-18(28)22-15-6-4-3-5-13(15)2/h3-10H,11H2,1-2H3,(H2,22,23,24,28)
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n/an/a 62n/an/an/an/an/an/a



Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))		BDBM50502919
PNG
(CHEMBL4553953)
Show SMILES Cc1cccn2c1nc(CSc1nnc(NC(=O)Nc3cccc(c3)C(F)(F)F)s1)cc2=O
Show InChI InChI=1S/C20H15F3N6O2S2/c1-11-4-3-7-29-15(30)9-14(24-16(11)29)10-32-19-28-27-18(33-19)26-17(31)25-13-6-2-5-12(8-13)20(21,22)23/h2-9H,10H2,1H3,(H2,25,26,27,31)
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n/an/a 64n/an/an/an/an/an/a



Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of human full length TRKB expressed in CHO cells assessed as decrease in NGF-induced Ca2+ flux by Calcium 4 dye-based FLIPR TETRA assay

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502946
PNG
(CHEMBL4552667)
Show SMILES Cc1ccc(C)c(NC(=O)Nc2nnc(SCc3cc(=O)n4ccccc4n3)s2)c1
Show InChI InChI=1S/C20H18N6O2S2/c1-12-6-7-13(2)15(9-12)22-18(28)23-19-24-25-20(30-19)29-11-14-10-17(27)26-8-4-3-5-16(26)21-14/h3-10H,11H2,1-2H3,(H2,22,23,24,28)
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Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502972
PNG
(CHEMBL4452210)
Show SMILES CCn1c(CCc2ccc(NC(=O)Nc3cc(C)cc(C)c3)cc2)nc2ccccc12
Show InChI InChI=1S/C26H28N4O/c1-4-30-24-8-6-5-7-23(24)29-25(30)14-11-20-9-12-21(13-10-20)27-26(31)28-22-16-18(2)15-19(3)17-22/h5-10,12-13,15-17H,4,11,14H2,1-3H3,(H2,27,28,31)
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Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502966
PNG
(CHEMBL4453384)
Show SMILES Cc1ccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cccc(C)c4n3)s2)cc1C
Show InChI InChI=1S/C21H20N6O2S2/c1-12-6-7-15(9-14(12)3)23-19(29)24-20-25-26-21(31-20)30-11-16-10-17(28)27-8-4-5-13(2)18(27)22-16/h4-10H,11H2,1-3H3,(H2,23,24,25,29)
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n/an/a 68n/an/an/an/an/an/a



Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502918
PNG
(CHEMBL4546610)
Show SMILES Cc1ccc2nc(CSc3nnc(NC(=O)Nc4ccccc4C(F)(F)F)s3)cc(=O)n2c1
Show InChI InChI=1S/C20H15F3N6O2S2/c1-11-6-7-15-24-12(8-16(30)29(15)9-11)10-32-19-28-27-18(33-19)26-17(31)25-14-5-3-2-4-13(14)20(21,22)23/h2-9H,10H2,1H3,(H2,25,26,27,31)
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Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502984
PNG
(CHEMBL4584518)
Show SMILES Cc1ccn2c(c1)nc(CSc1nnc(NC(=O)Nc3ccc(C)c(F)c3)s1)cc2=O
Show InChI InChI=1S/C20H17FN6O2S2/c1-11-5-6-27-16(7-11)22-14(9-17(27)28)10-30-20-26-25-19(31-20)24-18(29)23-13-4-3-12(2)15(21)8-13/h3-9H,10H2,1-2H3,(H2,23,24,25,29)
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n/an/a 69n/an/an/an/an/an/a



Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502981
PNG
(CHEMBL4463148)
Show SMILES Cc1ccccc1NC(=O)Nc1nnc(SCc2cc(=O)n3ccccc3n2)s1
Show InChI InChI=1S/C19H16N6O2S2/c1-12-6-2-3-7-14(12)21-17(27)22-18-23-24-19(29-18)28-11-13-10-16(26)25-9-5-4-8-15(25)20-13/h2-10H,11H2,1H3,(H2,21,22,23,27)
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n/an/a 79n/an/an/an/an/an/a



Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502876
PNG
(CHEMBL4547987)
Show SMILES CCn1c(CCc2ccc(NC(=O)Nc3cccc(OC)c3)cc2)nc2ccccc12
Show InChI InChI=1S/C25H26N4O2/c1-3-29-23-10-5-4-9-22(23)28-24(29)16-13-18-11-14-19(15-12-18)26-25(30)27-20-7-6-8-21(17-20)31-2/h4-12,14-15,17H,3,13,16H2,1-2H3,(H2,26,27,30)
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Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502933
PNG
(CHEMBL4573890)
Show SMILES COc1ccc(C)cc1NC(=O)Nc1nnc(SCc2cc(=O)n3cccc(C)c3n2)s1
Show InChI InChI=1S/C21H20N6O3S2/c1-12-6-7-16(30-3)15(9-12)23-19(29)24-20-25-26-21(32-20)31-11-14-10-17(28)27-8-4-5-13(2)18(27)22-14/h4-10H,11H2,1-3H3,(H2,23,24,25,29)
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Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of human full length TRKA expressed in CHO cells assessed as decrease in NGF-induced Ca2+ flux by Calcium 4 dye-based FLIPR TETRA assay

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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50502927
PNG
(CHEMBL4458705)
Show SMILES Cc1ccn2c(c1)nc(CSc1nnc(NC(=O)Nc3ccccc3C(F)(F)F)s1)cc2=O
Show InChI InChI=1S/C20H15F3N6O2S2/c1-11-6-7-29-15(8-11)24-12(9-16(29)30)10-32-19-28-27-18(33-19)26-17(31)25-14-5-3-2-4-13(14)20(21,22)23/h2-9H,10H2,1H3,(H2,25,26,27,31)
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n/an/a 95n/an/an/an/an/an/a



Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...

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
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* indicates data uncertainty>20%