Found 13 hits of ic50 data for polymerid = 50004564 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 2
(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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| n/a | n/a | 23.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human MEKK2 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 2
(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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| n/a | n/a | 43.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibition of human MEKK2 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 2
(Homo sapiens (Human)) | BDBM50466038
(CHEMBL4281823)Show SMILES CCn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc12 Show InChI InChI=1S/C25H22F3N5O2/c1-2-32-13-19(22-23(29)30-14-31-24(22)32)16-6-7-20-17(12-16)8-9-33(20)21(34)11-15-4-3-5-18(10-15)35-25(26,27)28/h3-7,10,12-14H,2,8-9,11H2,1H3,(H2,29,30,31) | PDB
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| n/a | n/a | 255 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University/Collaborative Innovation Center of Biotherapy
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length human MEKK2 using myelin basic protein as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillati... |
J Med Chem 61: 11398-11414 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01652
BindingDB Entry DOI: 10.7270/Q2377CDJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50441567
(CHEMBL2436978 | US10485800, Example 181)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) | PDB
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| n/a | n/a | 661 | n/a | n/a | n/a | n/a | n/a | n/a |
Califia Bio Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human MEKK2 by high throughput ATP-[33P] radiolabeled assay |
J Med Chem 56: 8032-48 (2013)
Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50505859
(CHEMBL4436748)Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)NCCCC1CCCCC1 Show InChI InChI=1S/C27H33N5O2/c28-25-24(19-31-32(25)23-11-5-2-6-12-23)27(34)30-18-21-13-15-22(16-14-21)26(33)29-17-7-10-20-8-3-1-4-9-20/h2,5-6,11-16,19-20H,1,3-4,7-10,17-18,28H2,(H,29,33)(H,30,34) | PDB
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| n/a | n/a | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
Johann Wolfgang Goethe-University
Curated by ChEMBL
| Assay Description
Inhibition of ZAK (unknown origin) expressed in human HEK293 cells incubated for 2 hrs followed by NanoBRET NanoGlo Substrate addition by NanoBRET as... |
J Med Chem 62: 10757-10782 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50533232
(CHEMBL4564126)Show SMILES Cc1cnc(cc1-n1c2ccncc2n(CC(N)=O)c1=O)-c1cc(Cl)ccc1F |(22.08,-22.62,;20.75,-23.4,;20.75,-24.95,;19.41,-25.72,;18.08,-24.95,;18.08,-23.4,;19.41,-22.63,;19.41,-21.09,;18.15,-20.2,;16.65,-20.52,;15.62,-19.38,;16.09,-17.91,;17.6,-17.59,;18.63,-18.73,;20.16,-18.73,;21.06,-17.48,;22.6,-17.63,;23.5,-16.39,;23.23,-19.04,;20.64,-20.19,;22.11,-20.66,;16.75,-25.72,;15.41,-24.94,;14.08,-25.71,;12.75,-24.94,;14.08,-27.25,;15.42,-28.02,;16.75,-27.25,;18.08,-28.02,)| Show InChI InChI=1S/C20H15ClFN5O2/c1-11-8-25-15(13-6-12(21)2-3-14(13)22)7-17(11)27-16-4-5-24-9-18(16)26(20(27)29)10-19(23)28/h2-9H,10H2,1H3,(H2,23,28) | PDB
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| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of MAP3K2 (unknown origin) |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50533232
(CHEMBL4564126)Show SMILES Cc1cnc(cc1-n1c2ccncc2n(CC(N)=O)c1=O)-c1cc(Cl)ccc1F |(22.08,-22.62,;20.75,-23.4,;20.75,-24.95,;19.41,-25.72,;18.08,-24.95,;18.08,-23.4,;19.41,-22.63,;19.41,-21.09,;18.15,-20.2,;16.65,-20.52,;15.62,-19.38,;16.09,-17.91,;17.6,-17.59,;18.63,-18.73,;20.16,-18.73,;21.06,-17.48,;22.6,-17.63,;23.5,-16.39,;23.23,-19.04,;20.64,-20.19,;22.11,-20.66,;16.75,-25.72,;15.41,-24.94,;14.08,-25.71,;12.75,-24.94,;14.08,-27.25,;15.42,-28.02,;16.75,-27.25,;18.08,-28.02,)| Show InChI InChI=1S/C20H15ClFN5O2/c1-11-8-25-15(13-6-12(21)2-3-14(13)22)7-17(11)27-16-4-5-24-9-18(16)26(20(27)29)10-19(23)28/h2-9H,10H2,1H3,(H2,23,28) | PDB
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| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of MAP3K2 (unknown origin) |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50505870
(CHEMBL4531775)Show SMILES FC(F)(F)c1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)NCCCC1CCCCC1 Show InChI InChI=1S/C28H31F3N4O2/c29-28(30,31)25-24(19-34-35(25)23-11-5-2-6-12-23)27(37)33-18-21-13-15-22(16-14-21)26(36)32-17-7-10-20-8-3-1-4-9-20/h2,5-6,11-16,19-20H,1,3-4,7-10,17-18H2,(H,32,36)(H,33,37) | PDB
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| PC cid
PC sid
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| Article
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| n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johann Wolfgang Goethe-University
Curated by ChEMBL
| Assay Description
Inhibition of ZAK (unknown origin) expressed in human HEK293 cells incubated for 2 hrs followed by NanoBRET NanoGlo Substrate addition by NanoBRET as... |
J Med Chem 62: 10757-10782 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 2
(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
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| 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 MAP3K2 |
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 2
(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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| 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 MEKK2 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 2
(Homo sapiens (Human)) | BDBM50519662
(CHEMBL4438748)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1 Show InChI InChI=1S/C26H23N3O5/c1-29(2)20-8-6-17(7-9-20)26(32)28-19-5-3-4-18(14-19)27-25(31)16-34-21-10-11-22-23(30)12-13-33-24(22)15-21/h3-15H,16H2,1-2H3,(H,27,31)(H,28,32) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length human MEKK2 using myelin basic protein as substrate incubated for 40 mins in presence of [gamma-33ATP by radiom... |
J Med Chem 62: 10691-10710 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50558812
(CHEMBL4755698)Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of MEKK2 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50242512
(CHEMBL4098682)Show SMILES Cc1ccc(CNc2nc(N)nc3[nH]c4cc(C)c(O)cc4c23)cc1 Show InChI InChI=1S/C19H19N5O/c1-10-3-5-12(6-4-10)9-21-17-16-13-8-15(25)11(2)7-14(13)22-18(16)24-19(20)23-17/h3-8,25H,9H2,1-2H3,(H4,20,21,22,23,24) | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Inhibition of MEKK2 (unknown origin) |
Bioorg Med Chem Lett 27: 2708-2712 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.053
BindingDB Entry DOI: 10.7270/Q2J67KBT |
More data for this
Ligand-Target Pair | |
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