Found 163 hits with Last Name = 'himmelbauer' and Initial = 'mk' 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 |
|---|
Tau-tubulin kinase 2
(Homo sapiens (Human)) | BDBM50609151
(CHEMBL5283456)Show SMILES CC[C@](C)(O)C#Cc1cc2n(ccc2cn1)-c1ccnc(N)n1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tau-tubulin kinase 2
(Homo sapiens (Human)) | BDBM50609159
(CHEMBL5280210)Show SMILES CC[C@](C)(O)C#Cc1cc2n(ccc2cn1)-c1cc(OC)nc(N)n1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50538435
(CHEMBL4634900)Show SMILES COc1nn(cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C)-c1cncc(c1)N(C)C Show InChI InChI=1S/C22H25N9O2/c1-14(2)30-13-24-27-20(30)18-7-6-8-19(25-18)26-21(32)17-12-31(28-22(17)33-5)16-9-15(29(3)4)10-23-11-16/h6-14H,1-5H3,(H,25,26,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate preincubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-b... |
ACS Med Chem Lett 11: 485-490 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00611
BindingDB Entry DOI: 10.7270/Q27084XK |
More data for this
Ligand-Target Pair | |
Tau-tubulin kinase 1
(Homo sapiens (Human)) | BDBM50609151
(CHEMBL5283456)Show SMILES CC[C@](C)(O)C#Cc1cc2n(ccc2cn1)-c1ccnc(N)n1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tau-tubulin kinase 1
(Homo sapiens (Human)) | BDBM50609143
(CHEMBL5268795)Show SMILES CC(C)(O)C#Cc1cc2n(cc(C3CC3)c2cn1)-c1ccnc(N)n1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50538427
(CHEMBL4641666)Show InChI InChI=1S/C17H20N6O2/c1-11(2)23-10-18-8-14(23)13-6-5-7-15(19-13)20-16(24)12-9-22(3)21-17(12)25-4/h5-11H,1-4H3,(H,19,20,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate preincubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-b... |
ACS Med Chem Lett 11: 485-490 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00611
BindingDB Entry DOI: 10.7270/Q27084XK |
More data for this
Ligand-Target Pair | |
Tau-tubulin kinase 1
(Homo sapiens (Human)) | BDBM50609159
(CHEMBL5280210)Show SMILES CC[C@](C)(O)C#Cc1cc2n(ccc2cn1)-c1cc(OC)nc(N)n1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tau-tubulin kinase 1
(Homo sapiens (Human)) | BDBM50609138
(CHEMBL5272364) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50538424
(CHEMBL4643577)Show InChI InChI=1S/C16H19N7O2/c1-10(2)23-9-17-20-14(23)12-6-5-7-13(18-12)19-15(24)11-8-22(3)21-16(11)25-4/h5-10H,1-4H3,(H,18,19,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate preincubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-b... |
ACS Med Chem Lett 11: 485-490 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00611
BindingDB Entry DOI: 10.7270/Q27084XK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50505951
(CHEMBL4569388 | US11168095, Example 21)Show SMILES Cc1cn(cn1)-c1ccc2OCCCCn3cnnc3-c3cccc(NC(=O)c2c1)n3 Show InChI InChI=1S/C22H21N7O2/c1-15-12-29(13-23-15)16-7-8-19-17(11-16)22(30)26-20-6-4-5-18(25-20)21-27-24-14-28(21)9-2-3-10-31-19/h4-8,11-14H,2-3,9-10H2,1H3,(H,25,26,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate pre-incubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-... |
J Med Chem 62: 10740-10756 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01206
BindingDB Entry DOI: 10.7270/Q2DF6VH5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50505937
(CHEMBL4514925 | US11168095, Example 91)Show SMILES C[C@H]1CCCOc2ccccc2C(=O)Nc2cccc(n2)-c2nncn12 |r| Show InChI InChI=1S/C19H19N5O2/c1-13-6-5-11-26-16-9-3-2-7-14(16)19(25)22-17-10-4-8-15(21-17)18-23-20-12-24(13)18/h2-4,7-10,12-13H,5-6,11H2,1H3,(H,21,22,25)/t13-/m0/s1 | PDB
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B.MOAD
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GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate pre-incubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-... |
J Med Chem 62: 10740-10756 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01206
BindingDB Entry DOI: 10.7270/Q2DF6VH5 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50538428
(CHEMBL4640063)Show SMILES CCn1cc(C(=O)Nc2cccc(n2)-c2nncn2C(C)C)c(OC)n1 Show InChI InChI=1S/C17H21N7O2/c1-5-23-9-12(17(22-23)26-4)16(25)20-14-8-6-7-13(19-14)15-21-18-10-24(15)11(2)3/h6-11H,5H2,1-4H3,(H,19,20,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate preincubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-b... |
ACS Med Chem Lett 11: 485-490 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00611
BindingDB Entry DOI: 10.7270/Q27084XK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50505952
(CHEMBL4475667 | US11034671, Example 48 | US1116809...)Show SMILES Cn1cc(cn1)-c1ccc2OCCCCn3cnnc3-c3cccc(NC(=O)c2c1)n3 Show InChI InChI=1S/C22H21N7O2/c1-28-13-16(12-24-28)15-7-8-19-17(11-15)22(30)26-20-6-4-5-18(25-20)21-27-23-14-29(21)9-2-3-10-31-19/h4-8,11-14H,2-3,9-10H2,1H3,(H,25,26,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate pre-incubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-... |
J Med Chem 62: 10740-10756 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01206
BindingDB Entry DOI: 10.7270/Q2DF6VH5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50538433
(CHEMBL4633993)Show SMILES COc1nn(cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C)-c1cccnc1 Show InChI InChI=1S/C20H20N8O2/c1-13(2)27-12-22-25-18(27)16-7-4-8-17(23-16)24-19(29)15-11-28(26-20(15)30-3)14-6-5-9-21-10-14/h4-13H,1-3H3,(H,23,24,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate preincubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-b... |
ACS Med Chem Lett 11: 485-490 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00611
BindingDB Entry DOI: 10.7270/Q27084XK |
More data for this
Ligand-Target Pair | |
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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PC cid
PC sid
PDB
UniChem
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Similars
| PDB
Article
PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate preincubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-b... |
ACS Med Chem Lett 11: 485-490 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00611
BindingDB Entry DOI: 10.7270/Q27084XK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50538434
(CHEMBL4642251)Show SMILES COc1nn(cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C)-c1cncc(c1)C1CC1 Show InChI InChI=1S/C23H24N8O2/c1-14(2)30-13-25-28-21(30)19-5-4-6-20(26-19)27-22(32)18-12-31(29-23(18)33-3)17-9-16(10-24-11-17)15-7-8-15/h4-6,9-15H,7-8H2,1-3H3,(H,26,27,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate preincubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-b... |
ACS Med Chem Lett 11: 485-490 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00611
BindingDB Entry DOI: 10.7270/Q27084XK |
More data for this
Ligand-Target Pair | |
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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PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate pre-incubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-... |
J Med Chem 62: 10740-10756 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01206
BindingDB Entry DOI: 10.7270/Q2DF6VH5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50505960
(CHEMBL4456722 | US11168095, Example 39)Show SMILES CN(C)CCn1cc(cn1)-c1ccc2OCCCCn3cnnc3-c3cccc(NC(=O)c2c1)n3 Show InChI InChI=1S/C25H28N8O2/c1-31(2)11-12-33-16-19(15-27-33)18-8-9-22-20(14-18)25(34)29-23-7-5-6-21(28-23)24-30-26-17-32(24)10-3-4-13-35-22/h5-9,14-17H,3-4,10-13H2,1-2H3,(H,28,29,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate pre-incubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-... |
J Med Chem 62: 10740-10756 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01206
BindingDB Entry DOI: 10.7270/Q2DF6VH5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50538425
(CHEMBL4646085)Show SMILES C[C@H]1CCCOc2nn(C)cc2C(=O)Nc2cccc(n2)-c2nncn12 |r| Show InChI InChI=1S/C17H19N7O2/c1-11-5-4-8-26-17-12(9-23(2)22-17)16(25)20-14-7-3-6-13(19-14)15-21-18-10-24(11)15/h3,6-7,9-11H,4-5,8H2,1-2H3,(H,19,20,25)/t11-/m0/s1 | PDB
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate preincubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-b... |
ACS Med Chem Lett 11: 485-490 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00611
BindingDB Entry DOI: 10.7270/Q27084XK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50538429
(CHEMBL4647065)Show SMILES COc1nn(CC2CC2)cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C Show InChI InChI=1S/C19H23N7O2/c1-12(2)26-11-20-23-17(26)15-5-4-6-16(21-15)22-18(27)14-10-25(9-13-7-8-13)24-19(14)28-3/h4-6,10-13H,7-9H2,1-3H3,(H,21,22,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate preincubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-b... |
ACS Med Chem Lett 11: 485-490 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00611
BindingDB Entry DOI: 10.7270/Q27084XK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50505954
(CHEMBL4562269 | US11168095, Example 97)Show SMILES C[C@H]1CCCOc2cc(F)ccc2C(=O)Nc2cccc(n2)-c2nncn12 |r| Show InChI InChI=1S/C19H18FN5O2/c1-12-4-3-9-27-16-10-13(20)7-8-14(16)19(26)23-17-6-2-5-15(22-17)18-24-21-11-25(12)18/h2,5-8,10-12H,3-4,9H2,1H3,(H,22,23,26)/t12-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate pre-incubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-... |
J Med Chem 62: 10740-10756 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01206
BindingDB Entry DOI: 10.7270/Q2DF6VH5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50538430
(CHEMBL4641264)Show SMILES COCCn1cc(C(=O)Nc2cccc(n2)-c2nncn2C(C)C)c(OC)n1 Show InChI InChI=1S/C18H23N7O3/c1-12(2)25-11-19-22-16(25)14-6-5-7-15(20-14)21-17(26)13-10-24(8-9-27-3)23-18(13)28-4/h5-7,10-12H,8-9H2,1-4H3,(H,20,21,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate preincubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-b... |
ACS Med Chem Lett 11: 485-490 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00611
BindingDB Entry DOI: 10.7270/Q27084XK |
More data for this
Ligand-Target Pair | |
Tau-tubulin kinase 1
(Homo sapiens (Human)) | BDBM50609144
(CHEMBL5279863)Show SMILES CC(C)(O)C#Cc1cc2n(cc(C3CCOCC3)c2cn1)-c1ccnc(N)n1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
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UniChem
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TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50505956
(CHEMBL4473364 | US11168095, Example 28)Show SMILES CS(=O)(=O)c1ccc2OCCCCn3cnnc3-c3cccc(NC(=O)c2c1)n3 Show InChI InChI=1S/C19H19N5O4S/c1-29(26,27)13-7-8-16-14(11-13)19(25)22-17-6-4-5-15(21-17)18-23-20-12-24(18)9-2-3-10-28-16/h4-8,11-12H,2-3,9-10H2,1H3,(H,21,22,25) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate pre-incubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-... |
J Med Chem 62: 10740-10756 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01206
BindingDB Entry DOI: 10.7270/Q2DF6VH5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50505957
(CHEMBL4591648)Show SMILES C[C@@H]1CCOc2cc(F)c(cc2C(=O)Nc2cccc(n2)-c2nncn2C1)-c1cnn(CCN(C)C)c1 |r| Show InChI InChI=1S/C26H29FN8O2/c1-17-7-10-37-23-12-21(27)19(18-13-29-35(15-18)9-8-33(2)3)11-20(23)26(36)31-24-6-4-5-22(30-24)25-32-28-16-34(25)14-17/h4-6,11-13,15-17H,7-10,14H2,1-3H3,(H,30,31,36)/t17-/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate pre-incubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-... |
J Med Chem 62: 10740-10756 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01206
BindingDB Entry DOI: 10.7270/Q2DF6VH5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50505950
(CHEMBL4548492 | US11034671, Example 43 | US1116809...)Show SMILES O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(cc12)N1CCOCC1 Show InChI InChI=1S/C22H24N6O3/c29-22-17-14-16(27-9-12-30-13-10-27)6-7-19(17)31-11-2-1-8-28-15-23-26-21(28)18-4-3-5-20(24-18)25-22/h3-7,14-15H,1-2,8-13H2,(H,24,25,29) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate pre-incubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-... |
J Med Chem 62: 10740-10756 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01206
BindingDB Entry DOI: 10.7270/Q2DF6VH5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM524903
(BDBM50505948 | US11168095, Example 156) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate pre-incubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-... |
J Med Chem 62: 10740-10756 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01206
BindingDB Entry DOI: 10.7270/Q2DF6VH5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50505939
(CHEMBL4542440)Show SMILES C[C@@H]1CCOc2cc(F)ccc2C(=O)Nc2cccc(n2)-c2nncn2C1 |r| Show InChI InChI=1S/C19H18FN5O2/c1-12-7-8-27-16-9-13(20)5-6-14(16)19(26)23-17-4-2-3-15(22-17)18-24-21-11-25(18)10-12/h2-6,9,11-12H,7-8,10H2,1H3,(H,22,23,26)/t12-/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate pre-incubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-... |
J Med Chem 62: 10740-10756 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01206
BindingDB Entry DOI: 10.7270/Q2DF6VH5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50505940
(CHEMBL4449840)Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c5ccccc5c4=O)cc3)c2cc1OC Show InChI InChI=1S/C30H27N3O5/c1-18(2)33-17-23(29(34)21-7-5-6-8-25(21)33)30(35)32-19-9-11-20(12-10-19)38-26-13-14-31-24-16-28(37-4)27(36-3)15-22(24)26/h5-18H,1-4H3,(H,32,35) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate pre-incubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-... |
J Med Chem 62: 10740-10756 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01206
BindingDB Entry DOI: 10.7270/Q2DF6VH5 |
More data for this
Ligand-Target Pair | |
Tau-tubulin kinase 1
(Homo sapiens (Human)) | BDBM50609137
(CHEMBL5282072) | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Tau-tubulin kinase 1
(Homo sapiens (Human)) | BDBM50609160
(CHEMBL5268080)Show SMILES CC[C@](C)(O)C#Cc1cc2n(ccc2cn1)-c1nc(N)ncc1OC |r| | PDB
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TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50505943
(CHEMBL4561768 | US11168095, Example 2)Show InChI InChI=1S/C18H17N5O2/c24-18-13-6-1-2-8-15(13)25-11-4-3-10-23-12-19-22-17(23)14-7-5-9-16(20-14)21-18/h1-2,5-9,12H,3-4,10-11H2,(H,20,21,24) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate pre-incubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-... |
J Med Chem 62: 10740-10756 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01206
BindingDB Entry DOI: 10.7270/Q2DF6VH5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50538433
(CHEMBL4633993)Show SMILES COc1nn(cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C)-c1cccnc1 Show InChI InChI=1S/C20H20N8O2/c1-13(2)27-12-22-25-18(27)16-7-4-8-17(23-16)24-19(29)15-11-28(26-20(15)30-3)14-6-5-9-21-10-14/h4-13H,1-3H3,(H,23,24,29) | PDB
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Biogen
Curated by ChEMBL
| Assay Description
Inhibition of V5 tagged human ASK1 expressed in HEK293T cells assessed as reduction in T848 autophosphorylation incubated for 1 hr by MSD assay |
ACS Med Chem Lett 11: 485-490 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00611
BindingDB Entry DOI: 10.7270/Q27084XK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50538429
(CHEMBL4647065)Show SMILES COc1nn(CC2CC2)cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C Show InChI InChI=1S/C19H23N7O2/c1-12(2)26-11-20-23-17(26)15-5-4-6-16(21-15)22-18(27)14-10-25(9-13-7-8-13)24-19(14)28-3/h4-6,10-13H,7-9H2,1-3H3,(H,21,22,27) | PDB
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Biogen
Curated by ChEMBL
| Assay Description
Inhibition of V5 tagged human ASK1 expressed in HEK293T cells assessed as reduction in T848 autophosphorylation incubated for 1 hr by MSD assay |
ACS Med Chem Lett 11: 485-490 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00611
BindingDB Entry DOI: 10.7270/Q27084XK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50505959
(CHEMBL4442116 | US11168095, Example 89)Show SMILES C[C@@H]1CCn2cnnc2-c2cccc(NC(=O)c3ccccc3OC1)n2 |r| Show InChI InChI=1S/C19H19N5O2/c1-13-9-10-24-12-20-23-18(24)15-6-4-8-17(21-15)22-19(25)14-5-2-3-7-16(14)26-11-13/h2-8,12-13H,9-11H2,1H3,(H,21,22,25)/t13-/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate pre-incubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-... |
J Med Chem 62: 10740-10756 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01206
BindingDB Entry DOI: 10.7270/Q2DF6VH5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50023727
(CHEMBL3330170)Show SMILES FC(F)(F)c1cc(NC2CC2)n2nc(NC(=O)c3cccnc3)nc2c1 Show InChI InChI=1S/C16H13F3N6O/c17-16(18,19)10-6-12(21-11-3-4-11)25-13(7-10)22-15(24-25)23-14(26)9-2-1-5-20-8-9/h1-2,5-8,11,21H,3-4H2,(H,23,24,26) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of V5 tagged human ASK1 expressed in HEK-293T cells assessed as reduction in T838 autophosphorylation incubated for 1 hr |
J Med Chem 62: 10740-10756 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01206
BindingDB Entry DOI: 10.7270/Q2DF6VH5 |
More data for this
Ligand-Target Pair | |
Tau-tubulin kinase 2
(Homo sapiens (Human)) | BDBM50609146
(CHEMBL5273263)Show SMILES CC[C@](C)(O)C#Cc1cc2n(ncc2cn1)-c1ccnc(N)n1 |r| | PDB
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TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50505945
(CHEMBL4462230)Show SMILES C[C@@H]1CCOc2ccccc2C(=O)Nc2cccc(n2)-c2nncn2C1 |r| Show InChI InChI=1S/C19H19N5O2/c1-13-9-10-26-16-7-3-2-5-14(16)19(25)22-17-8-4-6-15(21-17)18-23-20-12-24(18)11-13/h2-8,12-13H,9-11H2,1H3,(H,21,22,25)/t13-/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate pre-incubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-... |
J Med Chem 62: 10740-10756 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01206
BindingDB Entry DOI: 10.7270/Q2DF6VH5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50538436
(CHEMBL4638598)Show SMILES COc1nn(cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C)-c1cncnc1 Show InChI InChI=1S/C19H19N9O2/c1-12(2)27-11-22-25-17(27)15-5-4-6-16(23-15)24-18(29)14-9-28(26-19(14)30-3)13-7-20-10-21-8-13/h4-12H,1-3H3,(H,23,24,29) | PDB
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Biogen
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate preincubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-b... |
ACS Med Chem Lett 11: 485-490 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00611
BindingDB Entry DOI: 10.7270/Q27084XK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM524905
(BDBM50505947 | US11168095, Example 160) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate pre-incubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-... |
J Med Chem 62: 10740-10756 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01206
BindingDB Entry DOI: 10.7270/Q2DF6VH5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50538431
(CHEMBL4642504)Show SMILES COc1nn(cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C)-c1ccccn1 Show InChI InChI=1S/C20H20N8O2/c1-13(2)27-12-22-25-18(27)15-7-6-8-16(23-15)24-19(29)14-11-28(26-20(14)30-3)17-9-4-5-10-21-17/h4-13H,1-3H3,(H,23,24,29) | PDB
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Biogen
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate preincubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-b... |
ACS Med Chem Lett 11: 485-490 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00611
BindingDB Entry DOI: 10.7270/Q27084XK |
More data for this
Ligand-Target Pair | |
Tau-tubulin kinase 1
(Homo sapiens (Human)) | BDBM50609146
(CHEMBL5273263)Show SMILES CC[C@](C)(O)C#Cc1cc2n(ncc2cn1)-c1ccnc(N)n1 |r| | PDB
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TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50505936
(CHEMBL4466569)Show SMILES COc1cc2nncc(Oc3ccc(NC(=O)c4cn(C(C)C)c5ccccc5c4=O)cc3)c2cc1OC Show InChI InChI=1S/C29H26N4O5/c1-17(2)33-16-22(28(34)20-7-5-6-8-24(20)33)29(35)31-18-9-11-19(12-10-18)38-27-15-30-32-23-14-26(37-4)25(36-3)13-21(23)27/h5-17H,1-4H3,(H,31,35) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate pre-incubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-... |
J Med Chem 62: 10740-10756 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01206
BindingDB Entry DOI: 10.7270/Q2DF6VH5 |
More data for this
Ligand-Target Pair | |
Tau-tubulin kinase 1
(Homo sapiens (Human)) | BDBM50609145
(CHEMBL5271137)Show SMILES CN1CCC[C@H](C1)c1cn(-c2ccnc(N)n2)c2cc(ncc12)C#CC(C)(C)O |r| | PDB
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TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
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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TBA
Curated by ChEMBL
| Assay Description
Inhibition of V5 tagged human ASK1 expressed in HEK-293T cells assessed as reduction in T838 autophosphorylation incubated for 1 hr |
J Med Chem 62: 10740-10756 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01206
BindingDB Entry DOI: 10.7270/Q2DF6VH5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50505958
(CHEMBL4447729 | US11168095, Example 171)Show InChI InChI=1S/C19H19N5O2/c25-19-14-7-2-3-9-16(14)26-12-5-1-4-11-24-13-20-23-18(24)15-8-6-10-17(21-15)22-19/h2-3,6-10,13H,1,4-5,11-12H2,(H,21,22,25) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate pre-incubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-... |
J Med Chem 62: 10740-10756 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01206
BindingDB Entry DOI: 10.7270/Q2DF6VH5 |
More data for this
Ligand-Target Pair | |
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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Biogen
Curated by ChEMBL
| Assay Description
Inhibition of V5 tagged human ASK1 expressed in HEK293T cells assessed as reduction in T848 autophosphorylation incubated for 1 hr by MSD assay |
ACS Med Chem Lett 11: 485-490 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00611
BindingDB Entry DOI: 10.7270/Q27084XK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tau-tubulin kinase 1
(Homo sapiens (Human)) | BDBM50609158
(CHEMBL5282902)Show SMILES CC[C@](C)(O)C#Cc1cc2n(ccc2cn1)-c1cc(C)nc(N)n1 |r| | PDB
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TBA
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Citation and Details
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More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50538437
(CHEMBL4632672)Show SMILES COc1nn(cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C)-c1cnccn1 Show InChI InChI=1S/C19H19N9O2/c1-12(2)27-11-22-25-17(27)14-5-4-6-15(23-14)24-18(29)13-10-28(26-19(13)30-3)16-9-20-7-8-21-16/h4-12H,1-3H3,(H,23,24,29) | PDB
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Biogen
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate preincubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-b... |
ACS Med Chem Lett 11: 485-490 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00611
BindingDB Entry DOI: 10.7270/Q27084XK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50538435
(CHEMBL4634900)Show SMILES COc1nn(cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C)-c1cncc(c1)N(C)C Show InChI InChI=1S/C22H25N9O2/c1-14(2)30-13-24-27-20(30)18-7-6-8-19(25-18)26-21(32)17-12-31(28-22(17)33-5)16-9-15(29(3)4)10-23-11-16/h6-14H,1-5H3,(H,25,26,32) | PDB
KEGG
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B.MOAD
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inhibition of V5 tagged human ASK1 expressed in HEK293T cells assessed as reduction in T848 autophosphorylation incubated for 1 hr by MSD assay |
ACS Med Chem Lett 11: 485-490 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00611
BindingDB Entry DOI: 10.7270/Q27084XK |
More data for this
Ligand-Target Pair | |
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