Found 35 hits with Last Name = 'hirokawa' and Initial = 'a' 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 |
|---|
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5446
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) | PDB
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| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Takeda
| Assay Description
The EGFR, HER2 and HER4 kinase assay were performed using radiolabeled [gamma-32P] ATP from GE Healthcare. |
J Biol Chem 286: 18756-65 (2011)
Article DOI: 10.1074/jbc.M110.206193
BindingDB Entry DOI: 10.7270/Q27W69TH |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5445
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) | PDB
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| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Takeda
| Assay Description
The EGFR, HER2 and HER4 kinase assay were performed using radiolabeled [gamma-32P] ATP from GE Healthcare. |
J Biol Chem 286: 18756-65 (2011)
Article DOI: 10.1074/jbc.M110.206193
BindingDB Entry DOI: 10.7270/Q27W69TH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212258
(GS-4997 | Selonsertib)Show SMILES CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(c(C)cc2F)-n2cnc(c2)C2CC2)n1 Show InChI InChI=1S/C24H24FN7O/c1-14(2)32-13-27-30-23(32)19-5-4-6-22(28-19)29-24(33)17-10-21(15(3)9-18(17)25)31-11-20(26-12-31)16-7-8-16/h4-6,9-14,16H,7-8H2,1-3H3,(H,28,29,33) | PDB
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| PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212260
(CHEMBL3954836)Show SMILES CC(C)Oc1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1[C@H](C)CO |r| Show InChI InChI=1S/C21H23N5O3/c1-13(2)29-16-8-7-15-10-25(21(28)17(15)9-16)19-6-4-5-18(23-19)20-24-22-12-26(20)14(3)11-27/h4-9,12-14,27H,10-11H2,1-3H3/t14-/m1/s1 | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212261
(CHEMBL3946139)Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(OC[C@@H]3CN(C)CCO3)cc2C1=O |r| Show InChI InChI=1S/C24H28N6O3/c1-16(2)30-15-25-27-23(30)21-5-4-6-22(26-21)29-12-17-7-8-18(11-20(17)24(29)31)33-14-19-13-28(3)9-10-32-19/h4-8,11,15-16,19H,9-10,12-14H2,1-3H3/t19-/m0/s1 | PDB
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| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212254
(CHEMBL3975466)Show SMILES COCCOc1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1[C@H](C)CO |r| Show InChI InChI=1S/C21H23N5O4/c1-14(12-27)26-13-22-24-20(26)18-4-3-5-19(23-18)25-11-15-6-7-16(30-9-8-29-2)10-17(15)21(25)28/h3-7,10,13-14,27H,8-9,11-12H2,1-2H3/t14-/m1/s1 | PDB
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| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212256
(CHEMBL3966978)Show SMILES COCCOc1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C(C)C Show InChI InChI=1S/C21H23N5O3/c1-14(2)26-13-22-24-20(26)18-5-4-6-19(23-18)25-12-15-7-8-16(29-10-9-28-3)11-17(15)21(25)27/h4-8,11,13-14H,9-10,12H2,1-3H3 | PDB
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| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212280
(CHEMBL3962015)Show SMILES C[C@H](CO)n1cnnc1-c1cccc(n1)N1Cc2ccccc2C1=O |r| Show InChI InChI=1S/C18H17N5O2/c1-12(10-24)23-11-19-21-17(23)15-7-4-8-16(20-15)22-9-13-5-2-3-6-14(13)18(22)25/h2-8,11-12,24H,9-10H2,1H3/t12-/m1/s1 | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM92454
(SYR127063)Show SMILES [O-]CCOCn1ccc2ncnc(Nc3cnc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12 Show InChI InChI=1S/C21H16ClF3N5O3/c22-16-9-14(10-26-20(16)33-15-3-1-2-13(8-15)21(23,24)25)29-19-18-17(27-11-28-19)4-5-30(18)12-32-7-6-31/h1-5,8-11H,6-7,12H2,(H,27,28,29)/q-1 | PDB
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antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Takeda
| Assay Description
The EGFR, HER2 and HER4 kinase assay were performed using radiolabeled [gamma-32P] ATP from GE Healthcare. |
J Biol Chem 286: 18756-65 (2011)
Article DOI: 10.1074/jbc.M110.206193
BindingDB Entry DOI: 10.7270/Q27W69TH |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM5445
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) | PDB
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| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Takeda
| Assay Description
The EGFR, HER2 and HER4 kinase assay were performed using radiolabeled [gamma-32P] ATP from GE Healthcare. |
J Biol Chem 286: 18756-65 (2011)
Article DOI: 10.1074/jbc.M110.206193
BindingDB Entry DOI: 10.7270/Q27W69TH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212284
(CHEMBL3925645)Show InChI InChI=1S/C18H16FN5O/c1-12(9-19)24-11-20-22-17(24)15-7-4-8-16(21-15)23-10-13-5-2-3-6-14(13)18(23)25/h2-8,11-12H,9-10H2,1H3 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212270
(CHEMBL3952214)Show InChI InChI=1S/C18H17N5O/c1-12(2)23-11-19-21-17(23)15-8-5-9-16(20-15)22-10-13-6-3-4-7-14(13)18(22)24/h3-9,11-12H,10H2,1-2H3 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212262
(CHEMBL3937245)Show SMILES CC(C)Oc1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C(C)C Show InChI InChI=1S/C21H23N5O2/c1-13(2)26-12-22-24-20(26)18-6-5-7-19(23-18)25-11-15-8-9-16(28-14(3)4)10-17(15)21(25)27/h5-10,12-14H,11H2,1-4H3 | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM92453
(TAK-285)Show SMILES CC(C)([O-])CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12 Show InChI InChI=1S/C26H24ClF3N5O3/c1-25(2,37)14-22(36)31-9-11-35-10-8-20-23(35)24(33-15-32-20)34-17-6-7-21(19(27)13-17)38-18-5-3-4-16(12-18)26(28,29)30/h3-8,10,12-13,15H,9,11,14H2,1-2H3,(H,31,36)(H,32,33,34)/q-1 | PDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Takeda
| Assay Description
The EGFR, HER2 and HER4 kinase assay were performed using radiolabeled [gamma-32P] ATP from GE Healthcare. |
J Biol Chem 286: 18756-65 (2011)
Article DOI: 10.1074/jbc.M110.206193
BindingDB Entry DOI: 10.7270/Q27W69TH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212263
(CHEMBL3928256)Show InChI InChI=1S/C19H16N6O/c1-13(9-10-20)25-12-21-23-18(25)16-7-4-8-17(22-16)24-11-14-5-2-3-6-15(14)19(24)26/h2-8,12-13H,9,11H2,1H3 | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212257
(CHEMBL3943495)Show SMILES CC[C@H](C)n1cnnc1-c1cccc(n1)N1Cc2ccccc2C1=O |r| Show InChI InChI=1S/C19H19N5O/c1-3-13(2)24-12-20-22-18(24)16-9-6-10-17(21-16)23-11-14-7-4-5-8-15(14)19(23)25/h4-10,12-13H,3,11H2,1-2H3/t13-/m0/s1 | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM92453
(TAK-285)Show SMILES CC(C)([O-])CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12 Show InChI InChI=1S/C26H24ClF3N5O3/c1-25(2,37)14-22(36)31-9-11-35-10-8-20-23(35)24(33-15-32-20)34-17-6-7-21(19(27)13-17)38-18-5-3-4-16(12-18)26(28,29)30/h3-8,10,12-13,15H,9,11,14H2,1-2H3,(H,31,36)(H,32,33,34)/q-1 | PDB
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| Article
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Takeda
| Assay Description
The EGFR, HER2 and HER4 kinase assay were performed using radiolabeled [gamma-32P] ATP from GE Healthcare. |
J Biol Chem 286: 18756-65 (2011)
Article DOI: 10.1074/jbc.M110.206193
BindingDB Entry DOI: 10.7270/Q27W69TH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212278
(CHEMBL3934521)Show SMILES C[C@@H](CO)n1cnnc1-c1cccc(n1)N1Cc2ccccc2C1=O |r| Show InChI InChI=1S/C18H17N5O2/c1-12(10-24)23-11-19-21-17(23)15-7-4-8-16(20-15)22-9-13-5-2-3-6-14(13)18(22)25/h2-8,11-12,24H,9-10H2,1H3/t12-/m0/s1 | PDB
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212259
(CHEMBL3953259)Show InChI InChI=1S/C19H19N5O2/c1-13(9-10-25)24-12-20-22-18(24)16-7-4-8-17(21-16)23-11-14-5-2-3-6-15(14)19(23)26/h2-8,12-13,25H,9-11H2,1H3 | PDB
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Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212285
(CHEMBL3891901)Show InChI InChI=1S/C18H18FN5O/c1-11(2)24-10-20-23-17(24)15-5-4-6-16(21-15)22-18(25)13-8-7-12(3)9-14(13)19/h4-11H,1-3H3,(H,21,22,25) | PDB
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Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212265
(CHEMBL3890544)Show SMILES CC[C@@H](C)n1cnnc1-c1cccc(n1)N1Cc2ccccc2C1=O |r| Show InChI InChI=1S/C19H19N5O/c1-3-13(2)24-12-20-22-18(24)16-9-6-10-17(21-16)23-11-14-7-4-5-8-15(14)19(23)25/h4-10,12-13H,3,11H2,1-2H3/t13-/m1/s1 | PDB
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Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-4
(Homo sapiens (Human)) | BDBM92453
(TAK-285)Show SMILES CC(C)([O-])CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12 Show InChI InChI=1S/C26H24ClF3N5O3/c1-25(2,37)14-22(36)31-9-11-35-10-8-20-23(35)24(33-15-32-20)34-17-6-7-21(19(27)13-17)38-18-5-3-4-16(12-18)26(28,29)30/h3-8,10,12-13,15H,9,11,14H2,1-2H3,(H,31,36)(H,32,33,34)/q-1 | PDB
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Takeda
| Assay Description
The EGFR, HER2 and HER4 kinase assay were performed using radiolabeled [gamma-32P] ATP from GE Healthcare. |
J Biol Chem 286: 18756-65 (2011)
Article DOI: 10.1074/jbc.M110.206193
BindingDB Entry DOI: 10.7270/Q27W69TH |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-4
(Homo sapiens (Human)) | BDBM5445
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) | PDB
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Takeda
| Assay Description
The EGFR, HER2 and HER4 kinase assay were performed using radiolabeled [gamma-32P] ATP from GE Healthcare. |
J Biol Chem 286: 18756-65 (2011)
Article DOI: 10.1074/jbc.M110.206193
BindingDB Entry DOI: 10.7270/Q27W69TH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212255
(CHEMBL3960900)Show InChI InChI=1S/C17H17N5O/c1-12(2)22-11-18-21-16(22)14-9-6-10-15(19-14)20-17(23)13-7-4-3-5-8-13/h3-12H,1-2H3,(H,19,20,23) | PDB
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Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM92454
(SYR127063)Show SMILES [O-]CCOCn1ccc2ncnc(Nc3cnc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12 Show InChI InChI=1S/C21H16ClF3N5O3/c22-16-9-14(10-26-20(16)33-15-3-1-2-13(8-15)21(23,24)25)29-19-18-17(27-11-28-19)4-5-30(18)12-32-7-6-31/h1-5,8-11H,6-7,12H2,(H,27,28,29)/q-1 | PDB
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Takeda
| Assay Description
The EGFR, HER2 and HER4 kinase assay were performed using radiolabeled [gamma-32P] ATP from GE Healthcare. |
J Biol Chem 286: 18756-65 (2011)
Article DOI: 10.1074/jbc.M110.206193
BindingDB Entry DOI: 10.7270/Q27W69TH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212279
(CHEMBL3955870)Show InChI InChI=1S/C19H17N5O2/c25-19-15-5-2-1-4-13(15)10-24(19)17-7-3-6-16(21-17)18-22-20-12-23(18)11-14-8-9-26-14/h1-7,12,14H,8-11H2 | PDB
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Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM5446
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) | PDB
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| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Takeda
| Assay Description
The EGFR, HER2 and HER4 kinase assay were performed using radiolabeled [gamma-32P] ATP from GE Healthcare. |
J Biol Chem 286: 18756-65 (2011)
Article DOI: 10.1074/jbc.M110.206193
BindingDB Entry DOI: 10.7270/Q27W69TH |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-4
(Homo sapiens (Human)) | BDBM5446
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) | PDB
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| n/a | n/a | 1.53E+3 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Takeda
| Assay Description
The EGFR, HER2 and HER4 kinase assay were performed using radiolabeled [gamma-32P] ATP from GE Healthcare. |
J Biol Chem 286: 18756-65 (2011)
Article DOI: 10.1074/jbc.M110.206193
BindingDB Entry DOI: 10.7270/Q27W69TH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212282
(CHEMBL3981026)Show SMILES Cc1cc(F)c(cc1-n1cnc(c1)C1CC1)C(=O)Nc1ccccn1 Show InChI InChI=1S/C19H17FN4O/c1-12-8-15(20)14(19(25)23-18-4-2-3-7-21-18)9-17(12)24-10-16(22-11-24)13-5-6-13/h2-4,7-11,13H,5-6H2,1H3,(H,21,23,25) | PDB
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| n/a | n/a | 6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-4
(Homo sapiens (Human)) | BDBM92454
(SYR127063)Show SMILES [O-]CCOCn1ccc2ncnc(Nc3cnc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12 Show InChI InChI=1S/C21H16ClF3N5O3/c22-16-9-14(10-26-20(16)33-15-3-1-2-13(8-15)21(23,24)25)29-19-18-17(27-11-28-19)4-5-30(18)12-32-7-6-31/h1-5,8-11H,6-7,12H2,(H,27,28,29)/q-1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Takeda
| Assay Description
The EGFR, HER2 and HER4 kinase assay were performed using radiolabeled [gamma-32P] ATP from GE Healthcare. |
J Biol Chem 286: 18756-65 (2011)
Article DOI: 10.1074/jbc.M110.206193
BindingDB Entry DOI: 10.7270/Q27W69TH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212261
(CHEMBL3946139)Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(OC[C@@H]3CN(C)CCO3)cc2C1=O |r| Show InChI InChI=1S/C24H28N6O3/c1-16(2)30-15-25-27-23(30)21-5-4-6-22(26-21)29-12-17-7-8-18(11-20(17)24(29)31)33-14-19-13-28(3)9-10-32-19/h4-8,11,15-16,19H,9-10,12-14H2,1-3H3/t19-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 6.30 | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 expressed in HEK293 cells assessed as inhibition of H2O2-induced JNK phosphorylation preincubated for 30 mins followed by H2... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212262
(CHEMBL3937245)Show SMILES CC(C)Oc1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C(C)C Show InChI InChI=1S/C21H23N5O2/c1-13(2)26-12-22-24-20(26)18-6-5-7-19(23-18)25-11-15-8-9-16(28-14(3)4)10-17(15)21(25)27/h5-10,12-14H,11H2,1-4H3 | PDB
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Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 expressed in HEK293 cells assessed as inhibition of H2O2-induced JNK phosphorylation preincubated for 30 mins followed by H2... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212254
(CHEMBL3975466)Show SMILES COCCOc1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1[C@H](C)CO |r| Show InChI InChI=1S/C21H23N5O4/c1-14(12-27)26-13-22-24-20(26)18-4-3-5-19(23-18)25-11-15-6-7-16(30-9-8-29-2)10-17(15)21(25)28/h3-7,10,13-14,27H,8-9,11-12H2,1-2H3/t14-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 expressed in HEK293 cells assessed as inhibition of H2O2-induced JNK phosphorylation preincubated for 30 mins followed by H2... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212260
(CHEMBL3954836)Show SMILES CC(C)Oc1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1[C@H](C)CO |r| Show InChI InChI=1S/C21H23N5O3/c1-13(2)29-16-8-7-15-10-25(21(28)17(15)9-16)19-6-4-5-18(23-19)20-24-22-12-26(20)14(3)11-27/h4-9,12-14,27H,10-11H2,1-3H3/t14-/m1/s1 | PDB
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Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 expressed in HEK293 cells assessed as inhibition of H2O2-induced JNK phosphorylation preincubated for 30 mins followed by H2... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212256
(CHEMBL3966978)Show SMILES COCCOc1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C(C)C Show InChI InChI=1S/C21H23N5O3/c1-14(2)26-13-22-24-20(26)18-5-4-6-19(23-18)25-12-15-7-8-16(29-10-9-28-3)11-17(15)21(25)27/h4-8,11,13-14H,9-10,12H2,1-3H3 | PDB
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Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 expressed in HEK293 cells assessed as inhibition of H2O2-induced JNK phosphorylation preincubated for 30 mins followed by H2... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair | |
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