Found 477 hits with Last Name = 'zachary' and Initial = 't' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50392788
(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 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
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PC sid
PDB
UniChem
| PDB
Article
PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50557930
(CHEMBL4740028)Show SMILES O=C(Nc1ccc(cc1N1CCOCC1)N1CCOCC1)c1cnn(n1)-c1ccccc1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human TRKA at active state by kinetic based analysis |
Citation and Details
Article DOI: 10.1039/c9md00554d
BindingDB Entry DOI: 10.7270/Q23J3HNX |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50557930
(CHEMBL4740028)Show SMILES O=C(Nc1ccc(cc1N1CCOCC1)N1CCOCC1)c1cnn(n1)-c1ccccc1 | PDB
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UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human TRKA at inactive state by kinetic based analysis |
Citation and Details
Article DOI: 10.1039/c9md00554d
BindingDB Entry DOI: 10.7270/Q23J3HNX |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50392788
(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 | PDB
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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50502896
(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) | PDB
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UniChem
| PDB
Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50557927
(CHEMBL4788009)Show SMILES Cc1nc2nc(nn2c(C)c1CC(=O)Nc1cccc(c1)C(F)(F)F)-c1cccnc1 | PDB
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| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human TRKA at inactive state by kinetic based analysis |
Citation and Details
Article DOI: 10.1039/c9md00554d
BindingDB Entry DOI: 10.7270/Q23J3HNX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50502896
(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) | PDB
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PC sid
PDB
UniChem
| PDB
Article
PubMed
| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50557927
(CHEMBL4788009)Show SMILES Cc1nc2nc(nn2c(C)c1CC(=O)Nc1cccc(c1)C(F)(F)F)-c1cccnc1 | PDB
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| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human TRKA at active state by kinetic based analysis |
Citation and Details
Article DOI: 10.1039/c9md00554d
BindingDB Entry DOI: 10.7270/Q23J3HNX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM158154
(US10081622, Compound 11 | US10370379, Entrectinib ...)Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40) | PDB
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| PDB
Article
PubMed
| n/a | n/a | 0.220 | n/a | n/a | n/a | n/a | n/a | n/a |
Zoetis
Curated by ChEMBL
| Assay Description
Inhibition of human wild type TrkA kinase domain expressed in mouse NIH/3T3 cells by HTRF assay |
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 Structure (crystal) |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50392788
(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 | PDB
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CHEMBL
MMDB
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| PDB
Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Zoetis
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged TrkA kinase domain (441-796 residues) expressed in baculovirus expression system incubated with enzyme/ATP... |
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 Structure (crystal) |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50525707
(CHEMBL4457566)Show SMILES Cc1cc(cc(n1)C#Cc1ccc2c3c(oc2c1)C(C)(C)c1cc(NS(C)(=O)=O)ccc1C3=O)C(=O)NC(C)(C)C Show InChI InChI=1S/C32H31N3O5S/c1-18-14-20(30(37)34-31(2,3)4)16-21(33-18)10-8-19-9-12-24-26(15-19)40-29-27(24)28(36)23-13-11-22(35-41(7,38)39)17-25(23)32(29,5)6/h9,11-17,35H,1-7H3,(H,34,37) | PDB
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PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 0.680 | n/a | n/a | n/a | n/a | n/a | n/a |
Zoetis
Curated by ChEMBL
| Assay Description
Inhibition of human TrkA G667C mutant expressed in mouse NIH/3T3 cells by HTRF assay |
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 Structure (crystal) |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50525707
(CHEMBL4457566)Show SMILES Cc1cc(cc(n1)C#Cc1ccc2c3c(oc2c1)C(C)(C)c1cc(NS(C)(=O)=O)ccc1C3=O)C(=O)NC(C)(C)C Show InChI InChI=1S/C32H31N3O5S/c1-18-14-20(30(37)34-31(2,3)4)16-21(33-18)10-8-19-9-12-24-26(15-19)40-29-27(24)28(36)23-13-11-22(35-41(7,38)39)17-25(23)32(29,5)6/h9,11-17,35H,1-7H3,(H,34,37) | PDB
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PC sid
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| PDB
Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Zoetis
Curated by ChEMBL
| Assay Description
Inhibition of human wild type TrkA kinase domain expressed in mouse NIH/3T3 cells by HTRF assay |
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 Structure (crystal) |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50502883
(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) | PDB
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50525709
(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) | PDB
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Zoetis
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged TrkA kinase domain (441-796 residues) expressed in baculovirus expression system incubated with enzyme/ATP... |
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 | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM158154
(US10081622, Compound 11 | US10370379, Entrectinib ...)Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40) | PDB
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| PDB
Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Zoetis
Curated by ChEMBL
| Assay Description
Inhibition of human TrkA G667C mutant expressed in mouse NIH/3T3 cells by HTRF assay |
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 Structure (crystal) |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50525706
(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) | PDB
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| PDB
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Zoetis
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged TrkA kinase domain (441-796 residues) expressed in baculovirus expression system incubated with enzyme/ATP... |
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 Structure (crystal) |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50502881
(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) | PDB
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50578295
(CHEMBL4861572)Show SMILES COCc1ccc(OC(F)(F)F)c(CNC(=O)Nc2c(nc3c(C)nccn23)-c2ccccc2)c1 | PDB
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UniChem
| PDB
Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human TRKA at inactive state assessed as inhibition of substrate phosphorylation pretreated for 20 mins followed by substrate addition ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00483
BindingDB Entry DOI: 10.7270/Q2G73JJ9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50557930
(CHEMBL4740028)Show SMILES O=C(Nc1ccc(cc1N1CCOCC1)N1CCOCC1)c1cnn(n1)-c1ccccc1 | PDB
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human TRKA kinase domain by HTRF KinEASE biochemical assay |
Citation and Details
Article DOI: 10.1039/c9md00554d
BindingDB Entry DOI: 10.7270/Q23J3HNX |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50578295
(CHEMBL4861572)Show SMILES COCc1ccc(OC(F)(F)F)c(CNC(=O)Nc2c(nc3c(C)nccn23)-c2ccccc2)c1 | PDB
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PC cid
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PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human TRKA expressed in human U2OS cells assessed as inhibition of substrate hydrolysis pretreated for 30 mins followed by NGF agonist ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00483
BindingDB Entry DOI: 10.7270/Q2G73JJ9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50502933
(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) | PDB
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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)) | BDBM50502970
(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) | PDB
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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)) | BDBM50502956
(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) | PDB
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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)) | BDBM50502967
(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) | PDB
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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)) | BDBM50502896
(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) | PDB
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| PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50525709
(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) | PDB
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Zoetis
Curated by ChEMBL
| Assay Description
Inhibition of inactive recombinant human His-tagged TrkA expressed in baculovirus expression system preincubated for 20 mins followed by ATP/CSKtide ... |
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 | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50578295
(CHEMBL4861572)Show SMILES COCc1ccc(OC(F)(F)F)c(CNC(=O)Nc2c(nc3c(C)nccn23)-c2ccccc2)c1 | PDB
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| PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human TRKA at inactive state assessed as inhibition of substrate phosphorylation using CSKtide as a substrate pretreated for 20 mins fo... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00483
BindingDB Entry DOI: 10.7270/Q2G73JJ9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50502919
(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) | PDB
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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)) | BDBM50502908
(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) | PDB
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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)) | BDBM50525706
(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) | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Zoetis
Curated by ChEMBL
| Assay Description
Inhibition of inactive recombinant human His-tagged TrkA expressed in baculovirus expression system preincubated for 20 mins followed by ATP/CSKtide ... |
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 Structure (crystal) |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50525712
(CHEMBL4475899)Show SMILES CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc(cc2)C#N)n(n1)-c1ccccc1 Show InChI InChI=1S/C23H22N4O3/c1-23(2,3)19-13-20(27(26-19)18-7-5-4-6-8-18)25-21(28)15-30-22(29)17-11-9-16(14-24)10-12-17/h4-13H,15H2,1-3H3,(H,25,28) | PDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Zoetis
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged TrkA kinase domain (441-796 residues) expressed in baculovirus expression system incubated with enzyme/ATP... |
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 | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50502978
(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) | PDB
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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)) | BDBM50502897
(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) | PDB
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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)) | BDBM50502871
(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) | PDB
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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)) | BDBM50557930
(CHEMBL4740028)Show SMILES O=C(Nc1ccc(cc1N1CCOCC1)N1CCOCC1)c1cnn(n1)-c1ccccc1 | PDB
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UniChem
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human TRKA at inactive state assessed as inhibition of substrate phosphorylation using fluorescently-labelled peptide as substrate by c... |
Citation and Details
Article DOI: 10.1039/c9md00554d
BindingDB Entry DOI: 10.7270/Q23J3HNX |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50502965
(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) | PDB
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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)) | BDBM50502874
(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) | PDB
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
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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
(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) | PDB
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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
(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) | PDB
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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
(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) | PDB
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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
(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) | PDB
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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
(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) | PDB
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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
(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) | PDB
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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)) | BDBM50525709
(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) | PDB
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Zoetis
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length human TrkA transfected in CHO cells assessed as inhibition of NGF-stimulated calcium influx by FLIPR assay |
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 | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50502938
(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) | PDB
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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
(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) | PDB
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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
(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) | PDB
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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 Structure (crystal) |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50502894
(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) | PDB
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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)) | BDBM50557927
(CHEMBL4788009)Show SMILES Cc1nc2nc(nn2c(C)c1CC(=O)Nc1cccc(c1)C(F)(F)F)-c1cccnc1 | PDB
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TBA
| Assay Description
Inhibition of human TRKA kinase domain by HTRF KinEASE biochemical assay |
Citation and Details
Article DOI: 10.1039/c9md00554d
BindingDB Entry DOI: 10.7270/Q23J3HNX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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