Found 25 hits of ic50 data for polymerid = 3877 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 |
|---|
Mitogen-activated protein kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM28123
(3-cyanoquinoline, 8 | 4-({3-chloro-4-[(1-methyl-1H...)Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C28H29ClN6O3S/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)38-11-3-7-35-9-12-37-13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(H,32,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 Kinase phosphorylation in LoVo cells |
Bioorg Med Chem Lett 13: 3031-4 (2003)
BindingDB Entry DOI: 10.7270/Q2P84B8T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50403055
(CHEMBL2216826)Show SMILES CCNc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CC[C@H](C)[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C21H27NO6/c1-4-22-15-10-14-6-5-7-16(23)20(26)17(24)9-8-12(2)13(3)28-21(27)19(14)18(25)11-15/h10-13,22,25H,4-9H2,1-3H3/t12-,13-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Covalution Pharma BV
Curated by ChEMBL
| Assay Description
Inhibition of MEKK1 |
J Med Chem 55: 6243-62 (2012)
Article DOI: 10.1021/jm3003203
BindingDB Entry DOI: 10.7270/Q2X92CGP |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50096279
(CHEMBL3577124)Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C Show InChI InChI=1S/C18H13N3O5/c22-14(23)5-4-10-8-21-13-7-12-9(6-15(24)25)2-1-3-11(12)16(13)20-18(26)17(21)19-10/h1-5,8H,6-7H2,(H,20,26)(H,22,23)(H,24,25)/b5-4+ | PDB
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CHEMBL
MCE
PC cid
PC sid
PDB
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| Article
PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Competitive binding affinity to MAP3K1 in human A375 cells after 15 mins in presence of ATP analogue |
J Med Chem 58: 4165-79 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 391 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human MEKK1 using MBP as substrate by [gamma-33P]-ATP assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2018.02.022
BindingDB Entry DOI: 10.7270/Q2DJ5KB8 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
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CHEMBL
MCE
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PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 484 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibition of human MEKK1 using MBP as substrate by [gamma-33P]-ATP assay |
Eur J Med Chem 161: 456-467 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.052
BindingDB Entry DOI: 10.7270/Q2W380MT |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50582731
(CHEMBL5092087)Show SMILES C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cnn([C@H]4CCOC4)c3C)nc2n1C |r| | PDB
NCI pathway
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KEGG
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AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 840 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of MAP3K1 expressed in human PBMCs measured by KiNativ profiling analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00720
BindingDB Entry DOI: 10.7270/Q2MP5754 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50095952
(CHEMBL3593777)Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r| Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1 | PDB
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MEKK1 (unknown origin) |
Bioorg Med Chem 23: 4871-83 (2015)
Article DOI: 10.1016/j.bmc.2015.05.034
BindingDB Entry DOI: 10.7270/Q2DZ0B21 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1
(Homo sapiens (Human)) | CHEMBL5281283
| PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | n/a | n/a | >1.00E+3 | 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 1
(Homo sapiens (Human)) | CHEMBL5273533
| PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | n/a | n/a | >1.00E+3 | 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 1
(Homo sapiens (Human)) | BDBM50582730
(CHEMBL5087055)Show SMILES C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cnn([C@@H]4CCOC4)c3C)nc2n1C |r| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of MAP3K1 expressed in human PBMCs measured by KiNativ profiling analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00720
BindingDB Entry DOI: 10.7270/Q2MP5754 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM31587
(oxadiazole derivative, 20x)Show SMILES COc1ccc(cc1)-n1cnc2ccc(cc12)-c1nnc(SCc2cccc(c2)C#N)o1 Show InChI InChI=1S/C24H17N5O2S/c1-30-20-8-6-19(7-9-20)29-15-26-21-10-5-18(12-22(21)29)23-27-28-24(31-23)32-14-17-4-2-3-16(11-17)13-25/h2-12,15H,14H2,1H3 | PDB
NCI pathway
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KEGG
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd.
| Assay Description
Assays for serine/threonine kinases using radiolabeled [gamma-33P] ATP (GE Healthcare, Piscataway, NJ) were performed in 96 well plates. Prior to the... |
Bioorg Med Chem 17: 2017-29 (2009)
Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50334268
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1 Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27) | PDB
NCI pathway
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CHEMBL
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PC cid
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of MEKK1 |
Bioorg Med Chem Lett 22: 7326-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.084
BindingDB Entry DOI: 10.7270/Q2M32WXV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50299083
((S)-3-(4-(ethylsulfinyl)phenyl)-5-(5-methylfuran-2...)Show SMILES CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r| Show InChI InChI=1S/C21H18O3S/c1-3-25(22)17-8-5-15(6-9-17)19-13-23-21-11-7-16(12-18(19)21)20-10-4-14(2)24-20/h4-13H,3H2,1-2H3/t25-/m0/s1 | PDB
NCI pathway
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KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG-tagged MEKK1 by [gamma-33-P]ATP based assay |
J Med Chem 52: 6270-86 (2009)
Article DOI: 10.1021/jm900647e
BindingDB Entry DOI: 10.7270/Q2CZ377V |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50299081
((S)-5-(5-methylfuran-2-yl)-3-(4-(methylsulfinyl)ph...)Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r| Show InChI InChI=1S/C20H16O3S/c1-13-3-9-19(23-13)15-6-10-20-17(11-15)18(12-22-20)14-4-7-16(8-5-14)24(2)21/h3-12H,1-2H3/t24-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG-tagged MEKK1 by [gamma-33-P]ATP based assay |
J Med Chem 52: 6270-86 (2009)
Article DOI: 10.1021/jm900647e
BindingDB Entry DOI: 10.7270/Q2CZ377V |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50401152
(CHEMBL2205766)Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1 Show InChI InChI=1S/C15H18N6O2S/c1-15(2,3)20-24(22,23)12-6-11(8-17-9-12)10-4-5-21-13(7-10)18-14(16)19-21/h4-9,20H,1-3H3,(H2,16,19) | PDB
NCI pathway
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cellzome Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MAP3K1 |
Bioorg Med Chem Lett 22: 4613-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.090
BindingDB Entry DOI: 10.7270/Q2HQ412B |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50401285
(CHEMBL2204532)Show SMILES CN(c1ccc(F)c(NC(=O)c2cccc(OC(C)(C)C#N)c2Cl)c1)c1ccc2nc(NC(=O)C3CC3)sc2n1 Show InChI InChI=1S/C28H24ClFN6O3S/c1-28(2,14-31)39-21-6-4-5-17(23(21)29)25(38)32-20-13-16(9-10-18(20)30)36(3)22-12-11-19-26(34-22)40-27(33-19)35-24(37)15-7-8-15/h4-6,9-13,15H,7-8H2,1-3H3,(H,32,38)(H,33,35,37) | PDB
NCI pathway
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| CHEMBL
MMDB
PC cid
PC sid
PDB
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Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of MEKK1 |
Bioorg Med Chem 20: 5600-15 (2012)
Article DOI: 10.1016/j.bmc.2012.07.032
BindingDB Entry DOI: 10.7270/Q2765GH8 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50391643
(CHEMBL2148052 | CHEMBL2148053)Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31) | PDB
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| CHEMBL
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG-tagged MEKK expressed in baculovirus after 5 mins by scintillation counter |
Bioorg Med Chem 20: 6171-80 (2012)
Article DOI: 10.1016/j.bmc.2012.08.002
BindingDB Entry DOI: 10.7270/Q21R6RMZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50386693
(CHEMBL2048912)Show SMILES CC(C)(N)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12 Show InChI InChI=1S/C25H24ClN7O2S/c1-25(2,27)24(34)28-9-11-33-10-8-18-22(33)23(30-14-29-18)32-15-6-7-20(17(26)12-15)35-19-4-3-5-21-16(19)13-31-36-21/h3-8,10,12-14H,9,11,27H2,1-2H3,(H,28,34)(H,29,30,32) | PDB
NCI pathway
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| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of C-terminus FLAG-tagged MEKK1 expressed in baculovirus expression system using [gamma-33P]-ATP measured after 60 mins by scintillation c... |
J Med Chem 55: 3975-91 (2012)
Article DOI: 10.1021/jm300185p
BindingDB Entry DOI: 10.7270/Q2474BX1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50135286
(CHEMBL3745885)Show SMILES Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F Show InChI InChI=1S/C22H15F2N5O3S/c1-29-20-13(9-19(21(29)30)33(31,32)18-5-2-14(23)10-16(18)24)11-26-22(28-20)27-15-3-4-17-12(8-15)6-7-25-17/h2-11,25H,1H3,(H,26,27,28) | PDB
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CHEMBL
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of human MEKK1 using MBP as substrate |
Bioorg Med Chem 24: 521-44 (2016)
Article DOI: 10.1016/j.bmc.2015.11.045
BindingDB Entry DOI: 10.7270/Q24Q7WT8 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50173609
(CHEMBL363648 | D3RKN_11 | N-[4-(2-Ethyl-4-m-tolyl-...)Show SMILES CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1 Show InChI InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28) | PDB
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CHEMBL
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Mitogen-activated protein kinase kinase kinase 1 (MEKK1) |
J Med Chem 48: 5966-79 (2005)
Article DOI: 10.1021/jm050165o
BindingDB Entry DOI: 10.7270/Q2G160DZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50358430
(CHEMBL1614725)Show SMILES CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12 Show InChI InChI=1S/C26H25ClF3N5O3/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/h3-8,10,12-13,15,37H,9,11,14H2,1-2H3,(H,31,36)(H,32,33,34) | PDB
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of C-terminus flag-tagged MEKK1 expressed in baculovirus infected insect cells using [gamma33P]ATP as substrate after 60 mins by scintilla... |
J Med Chem 54: 8030-50 (2011)
Article DOI: 10.1021/jm2008634
BindingDB Entry DOI: 10.7270/Q23R0T93 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM99471
(US8497274, 32)Show SMILES Fc1ccc(Oc2ccc3nc(NC(=O)C4CC4)sc3c2C#N)cc1NC(=O)Cc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C27H18F4N4O3S/c28-19-7-6-17(12-21(19)33-23(36)11-14-2-1-3-16(10-14)27(29,30)31)38-22-9-8-20-24(18(22)13-32)39-26(34-20)35-25(37)15-4-5-15/h1-3,6-10,12,15H,4-5,11H2,(H,33,36)(H,34,35,37) | PDB
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| Article
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG-tagged MEKK1 (unknown origin) expressed in baculovirus system using MBP as substrate after 60 mins |
J Med Chem 56: 6478-94 (2013)
Article DOI: 10.1021/jm400778d
BindingDB Entry DOI: 10.7270/Q2W95BPS |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50432373
(CHEMBL2348417)Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6| Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31) | PDB
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| CHEMBL
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal FLAG-tagged MEKK (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to [gamma-33P]ATP ad... |
Bioorg Med Chem 21: 2250-61 (2013)
Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50373215
(CHEMBL259060)Show SMILES COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C25H20BrNO5S/c1-32-25(29)23-22(17-6-4-3-5-7-17)21-14-18(26)10-13-20(21)24(28)27(23)15-16-8-11-19(12-9-16)33(2,30)31/h3-14H,15H2,1-2H3 | PDB
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| n/a | n/a | >1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MEKK |
Bioorg Med Chem 16: 4715-32 (2008)
Article DOI: 10.1016/j.bmc.2008.02.027
BindingDB Entry DOI: 10.7270/Q2JS9R8M |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50510133
(CHEMBL4446681)Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37) | PDB
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| PC cid
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| Article
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| n/a | n/a | 6.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Naples Federico II
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal 4xFLAG-tagged/C-terminal His8 fused MAP3K1 C-terminal domain (M1193 to W1512 residues) expressed in Sf9 in... |
Eur J Med Chem 167: 61-75 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4 |
More data for this
Ligand-Target Pair | |
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