Found 219 hits with Last Name = 'najjar' 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 |
|---|
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50506980
(CHEMBL4583196)Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2ccccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C21H24ClN7O2S/c1-14-24-18(12-19(25-14)29-8-6-28(7-9-29)10-11-30)27-21-23-13-17(32-21)20(31)26-16-5-3-2-4-15(16)22/h2-5,12-13,30H,6-11H2,1H3,(H,26,31)(H,23,24,25,27) | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Displacement of (6-FAM)KI(pY)VV from full length PKMYT1 (unknown origin) by fluorescence polarization immuno assay |
Eur J Med Chem 161: 479-492 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.050
BindingDB Entry DOI: 10.7270/Q2C53Q5T |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM13216
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27) | PDB
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| PDB
Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization... |
Bioorg Med Chem 26: 4014-4024 (2018)
Article DOI: 10.1016/j.bmc.2018.06.027
BindingDB Entry DOI: 10.7270/Q29Z97K0 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM3096
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one deriv. | 6...)Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-8.3,-10.68,;-6.82,-11.08,;-5.73,-9.99,;-4.24,-10.39,;-3.15,-9.3,;-6.82,-8.9,;-6.82,-7.36,;-8.15,-6.59,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,)| Show InChI InChI=1S/C26H27Cl2N5O2/c1-4-33(5-2)13-14-35-19-11-9-18(10-12-19)30-26-29-16-17-15-20(25(34)32(3)24(17)31-26)23-21(27)7-6-8-22(23)28/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,29,30,31) | PDB
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Displacement of (6-FAM)KI(pY)VV from full length PKMYT1 (unknown origin) by fluorescence polarization immuno assay |
Eur J Med Chem 161: 479-492 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.050
BindingDB Entry DOI: 10.7270/Q2C53Q5T |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM3096
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one deriv. | 6...)Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-8.3,-10.68,;-6.82,-11.08,;-5.73,-9.99,;-4.24,-10.39,;-3.15,-9.3,;-6.82,-8.9,;-6.82,-7.36,;-8.15,-6.59,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,)| Show InChI InChI=1S/C26H27Cl2N5O2/c1-4-33(5-2)13-14-35-19-11-9-18(10-12-19)30-26-29-16-17-15-20(25(34)32(3)24(17)31-26)23-21(27)7-6-8-22(23)28/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,29,30,31) | PDB
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization... |
Bioorg Med Chem 26: 4014-4024 (2018)
Article DOI: 10.1016/j.bmc.2018.06.027
BindingDB Entry DOI: 10.7270/Q29Z97K0 |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM3096
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one deriv. | 6...)Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-8.3,-10.68,;-6.82,-11.08,;-5.73,-9.99,;-4.24,-10.39,;-3.15,-9.3,;-6.82,-8.9,;-6.82,-7.36,;-8.15,-6.59,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,)| Show InChI InChI=1S/C26H27Cl2N5O2/c1-4-33(5-2)13-14-35-19-11-9-18(10-12-19)30-26-29-16-17-15-20(25(34)32(3)24(17)31-26)23-21(27)7-6-8-22(23)28/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,29,30,31) | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Displacement of (6-FAM)KI(pY)VV from PKMYT1 kinase domain (unknown origin) by fluorescence polarization binding assay |
Eur J Med Chem 161: 479-492 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.050
BindingDB Entry DOI: 10.7270/Q2C53Q5T |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM3096
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one deriv. | 6...)Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-8.3,-10.68,;-6.82,-11.08,;-5.73,-9.99,;-4.24,-10.39,;-3.15,-9.3,;-6.82,-8.9,;-6.82,-7.36,;-8.15,-6.59,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,)| Show InChI InChI=1S/C26H27Cl2N5O2/c1-4-33(5-2)13-14-35-19-11-9-18(10-12-19)30-26-29-16-17-15-20(25(34)32(3)24(17)31-26)23-21(27)7-6-8-22(23)28/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,29,30,31) | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Displacement of (6-FAM)KI(pY)VV from PKMYT1 kinase domain (unknown origin) by fluorescence polarization binding assay |
Eur J Med Chem 161: 479-492 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.050
BindingDB Entry DOI: 10.7270/Q2C53Q5T |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM3096
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one deriv. | 6...)Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-8.3,-10.68,;-6.82,-11.08,;-5.73,-9.99,;-4.24,-10.39,;-3.15,-9.3,;-6.82,-8.9,;-6.82,-7.36,;-8.15,-6.59,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,)| Show InChI InChI=1S/C26H27Cl2N5O2/c1-4-33(5-2)13-14-35-19-11-9-18(10-12-19)30-26-29-16-17-15-20(25(34)32(3)24(17)31-26)23-21(27)7-6-8-22(23)28/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,29,30,31) | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl... |
Bioorg Med Chem 26: 4014-4024 (2018)
Article DOI: 10.1016/j.bmc.2018.06.027
BindingDB Entry DOI: 10.7270/Q29Z97K0 |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM4213
(6-(2,6-dichlorophenyl)-8-methyl-2-{[4-(morpholin-4...)Show SMILES Cn1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-.52,-2.15,;-.52,-.61,;-1.86,.16,;-3.19,-.61,;-4.53,.16,;-5.86,-.61,;-7.19,.16,;-8.55,-.56,;-9.86,.26,;-9.8,1.8,;-8.44,2.52,;-7.14,1.7,;-11.11,2.62,;-11.11,4.16,;-12.44,4.93,;-13.78,4.16,;-13.78,2.62,;-12.44,1.85,;-4.53,1.7,;-3.19,2.47,;-1.86,1.7,;-.52,2.47,;.81,1.7,;2.14,2.47,;2.14,4.01,;.81,4.78,;3.48,4.78,;4.81,4.01,;4.81,2.47,;3.48,1.7,;3.48,.16,;.81,.16,;2.14,-.61,)| Show InChI InChI=1S/C24H21Cl2N5O2/c1-30-22-15(13-18(23(30)32)21-19(25)3-2-4-20(21)26)14-27-24(29-22)28-16-5-7-17(8-6-16)31-9-11-33-12-10-31/h2-8,13-14H,9-12H2,1H3,(H,27,28,29) | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization... |
Bioorg Med Chem 26: 4014-4024 (2018)
Article DOI: 10.1016/j.bmc.2018.06.027
BindingDB Entry DOI: 10.7270/Q29Z97K0 |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM4213
(6-(2,6-dichlorophenyl)-8-methyl-2-{[4-(morpholin-4...)Show SMILES Cn1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-.52,-2.15,;-.52,-.61,;-1.86,.16,;-3.19,-.61,;-4.53,.16,;-5.86,-.61,;-7.19,.16,;-8.55,-.56,;-9.86,.26,;-9.8,1.8,;-8.44,2.52,;-7.14,1.7,;-11.11,2.62,;-11.11,4.16,;-12.44,4.93,;-13.78,4.16,;-13.78,2.62,;-12.44,1.85,;-4.53,1.7,;-3.19,2.47,;-1.86,1.7,;-.52,2.47,;.81,1.7,;2.14,2.47,;2.14,4.01,;.81,4.78,;3.48,4.78,;4.81,4.01,;4.81,2.47,;3.48,1.7,;3.48,.16,;.81,.16,;2.14,-.61,)| Show InChI InChI=1S/C24H21Cl2N5O2/c1-30-22-15(13-18(23(30)32)21-19(25)3-2-4-20(21)26)14-27-24(29-22)28-16-5-7-17(8-6-16)31-9-11-33-12-10-31/h2-8,13-14H,9-12H2,1H3,(H,27,28,29) | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Displacement of (6-FAM)KI(pY)VV from full length PKMYT1 (unknown origin) by fluorescence polarization immuno assay |
Eur J Med Chem 161: 479-492 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.050
BindingDB Entry DOI: 10.7270/Q2C53Q5T |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM4213
(6-(2,6-dichlorophenyl)-8-methyl-2-{[4-(morpholin-4...)Show SMILES Cn1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-.52,-2.15,;-.52,-.61,;-1.86,.16,;-3.19,-.61,;-4.53,.16,;-5.86,-.61,;-7.19,.16,;-8.55,-.56,;-9.86,.26,;-9.8,1.8,;-8.44,2.52,;-7.14,1.7,;-11.11,2.62,;-11.11,4.16,;-12.44,4.93,;-13.78,4.16,;-13.78,2.62,;-12.44,1.85,;-4.53,1.7,;-3.19,2.47,;-1.86,1.7,;-.52,2.47,;.81,1.7,;2.14,2.47,;2.14,4.01,;.81,4.78,;3.48,4.78,;4.81,4.01,;4.81,2.47,;3.48,1.7,;3.48,.16,;.81,.16,;2.14,-.61,)| Show InChI InChI=1S/C24H21Cl2N5O2/c1-30-22-15(13-18(23(30)32)21-19(25)3-2-4-20(21)26)14-27-24(29-22)28-16-5-7-17(8-6-16)31-9-11-33-12-10-31/h2-8,13-14H,9-12H2,1H3,(H,27,28,29) | PDB
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| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Displacement of (6-FAM)KI(pY)VV from PKMYT1 kinase domain (unknown origin) by fluorescence polarization binding assay |
Eur J Med Chem 161: 479-492 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.050
BindingDB Entry DOI: 10.7270/Q2C53Q5T |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM4213
(6-(2,6-dichlorophenyl)-8-methyl-2-{[4-(morpholin-4...)Show SMILES Cn1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-.52,-2.15,;-.52,-.61,;-1.86,.16,;-3.19,-.61,;-4.53,.16,;-5.86,-.61,;-7.19,.16,;-8.55,-.56,;-9.86,.26,;-9.8,1.8,;-8.44,2.52,;-7.14,1.7,;-11.11,2.62,;-11.11,4.16,;-12.44,4.93,;-13.78,4.16,;-13.78,2.62,;-12.44,1.85,;-4.53,1.7,;-3.19,2.47,;-1.86,1.7,;-.52,2.47,;.81,1.7,;2.14,2.47,;2.14,4.01,;.81,4.78,;3.48,4.78,;4.81,4.01,;4.81,2.47,;3.48,1.7,;3.48,.16,;.81,.16,;2.14,-.61,)| Show InChI InChI=1S/C24H21Cl2N5O2/c1-30-22-15(13-18(23(30)32)21-19(25)3-2-4-20(21)26)14-27-24(29-22)28-16-5-7-17(8-6-16)31-9-11-33-12-10-31/h2-8,13-14H,9-12H2,1H3,(H,27,28,29) | PDB
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| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl... |
Bioorg Med Chem 26: 4014-4024 (2018)
Article DOI: 10.1016/j.bmc.2018.06.027
BindingDB Entry DOI: 10.7270/Q29Z97K0 |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM4213
(6-(2,6-dichlorophenyl)-8-methyl-2-{[4-(morpholin-4...)Show SMILES Cn1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-.52,-2.15,;-.52,-.61,;-1.86,.16,;-3.19,-.61,;-4.53,.16,;-5.86,-.61,;-7.19,.16,;-8.55,-.56,;-9.86,.26,;-9.8,1.8,;-8.44,2.52,;-7.14,1.7,;-11.11,2.62,;-11.11,4.16,;-12.44,4.93,;-13.78,4.16,;-13.78,2.62,;-12.44,1.85,;-4.53,1.7,;-3.19,2.47,;-1.86,1.7,;-.52,2.47,;.81,1.7,;2.14,2.47,;2.14,4.01,;.81,4.78,;3.48,4.78,;4.81,4.01,;4.81,2.47,;3.48,1.7,;3.48,.16,;.81,.16,;2.14,-.61,)| Show InChI InChI=1S/C24H21Cl2N5O2/c1-30-22-15(13-18(23(30)32)21-19(25)3-2-4-20(21)26)14-27-24(29-22)28-16-5-7-17(8-6-16)31-9-11-33-12-10-31/h2-8,13-14H,9-12H2,1H3,(H,27,28,29) | PDB
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| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Displacement of (6-FAM)KI(pY)VV from PKMYT1 kinase domain (unknown origin) by fluorescence polarization binding assay |
Eur J Med Chem 161: 479-492 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.050
BindingDB Entry DOI: 10.7270/Q2C53Q5T |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM6572
(6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl...)Show SMILES Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F |(-2.83,-3.52,;-4.17,-2.76,;-4.17,-1.22,;-5.51,-.46,;-5.51,1.08,;-4.18,1.86,;-4.18,3.4,;-2.84,4.17,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.09,;-6.84,-1.23,;-6.83,-2.77,;-5.5,-3.54,;-5.49,-5.08,)| Show InChI InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27) | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Displacement of (6-FAM)KI(pY)VV from full length PKMYT1 (unknown origin) by fluorescence polarization immuno assay |
Eur J Med Chem 161: 479-492 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.050
BindingDB Entry DOI: 10.7270/Q2C53Q5T |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM6572
(6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl...)Show SMILES Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F |(-2.83,-3.52,;-4.17,-2.76,;-4.17,-1.22,;-5.51,-.46,;-5.51,1.08,;-4.18,1.86,;-4.18,3.4,;-2.84,4.17,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.09,;-6.84,-1.23,;-6.83,-2.77,;-5.5,-3.54,;-5.49,-5.08,)| Show InChI InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27) | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization... |
Bioorg Med Chem 26: 4014-4024 (2018)
Article DOI: 10.1016/j.bmc.2018.06.027
BindingDB Entry DOI: 10.7270/Q29Z97K0 |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50462633
(CHEMBL587965 | D3RKN_47)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2cccc(CS(C)(=O)=O)c2)ncc1C Show InChI InChI=1S/C21H23N5O3S/c1-14-12-23-21(24-16-8-6-7-15(11-16)13-30(3,28)29)26-19(14)25-18-10-5-4-9-17(18)20(27)22-2/h4-12H,13H2,1-3H3,(H,22,27)(H2,23,24,25,26) | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Displacement of (6-FAM)KI(pY)VV from full length PKMYT1 (unknown origin) by fluorescence polarization immuno assay |
Eur J Med Chem 161: 479-492 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.050
BindingDB Entry DOI: 10.7270/Q2C53Q5T |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50462633
(CHEMBL587965 | D3RKN_47)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2cccc(CS(C)(=O)=O)c2)ncc1C Show InChI InChI=1S/C21H23N5O3S/c1-14-12-23-21(24-16-8-6-7-15(11-16)13-30(3,28)29)26-19(14)25-18-10-5-4-9-17(18)20(27)22-2/h4-12H,13H2,1-3H3,(H,22,27)(H2,23,24,25,26) | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization... |
Bioorg Med Chem 26: 4014-4024 (2018)
Article DOI: 10.1016/j.bmc.2018.06.027
BindingDB Entry DOI: 10.7270/Q29Z97K0 |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM4552
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31) | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Displacement of (6-FAM)KI(pY)VV from full length PKMYT1 (unknown origin) by fluorescence polarization immuno assay |
Eur J Med Chem 161: 479-492 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.050
BindingDB Entry DOI: 10.7270/Q2C53Q5T |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM4552
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31) | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization... |
Bioorg Med Chem 26: 4014-4024 (2018)
Article DOI: 10.1016/j.bmc.2018.06.027
BindingDB Entry DOI: 10.7270/Q29Z97K0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM25198
(3-[(6-methanesulfonylquinolin-4-yl)amino]-4-methyl...)Show InChI InChI=1S/C17H16N2O3S/c1-11-3-4-12(20)9-17(11)19-16-7-8-18-15-6-5-13(10-14(15)16)23(2,21)22/h3-10,20H,1-2H3,(H,18,19) | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization... |
Bioorg Med Chem 26: 4014-4024 (2018)
Article DOI: 10.1016/j.bmc.2018.06.027
BindingDB Entry DOI: 10.7270/Q29Z97K0 |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM25198
(3-[(6-methanesulfonylquinolin-4-yl)amino]-4-methyl...)Show InChI InChI=1S/C17H16N2O3S/c1-11-3-4-12(20)9-17(11)19-16-7-8-18-15-6-5-13(10-14(15)16)23(2,21)22/h3-10,20H,1-2H3,(H,18,19) | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Displacement of (6-FAM)KI(pY)VV from full length PKMYT1 (unknown origin) by fluorescence polarization immuno assay |
Eur J Med Chem 161: 479-492 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.050
BindingDB Entry DOI: 10.7270/Q2C53Q5T |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50462632
(CHEMBL545839)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1Cl Show InChI InChI=1S/C22H23ClN6O2/c1-24-21(30)17-4-2-3-5-19(17)27-20-18(23)14-25-22(28-20)26-15-6-8-16(9-7-15)29-10-12-31-13-11-29/h2-9,14H,10-13H2,1H3,(H,24,30)(H2,25,26,27,28) | PDB
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Displacement of (6-FAM)KI(pY)VV from full length PKMYT1 (unknown origin) by fluorescence polarization immuno assay |
Eur J Med Chem 161: 479-492 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.050
BindingDB Entry DOI: 10.7270/Q2C53Q5T |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50462632
(CHEMBL545839)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1Cl Show InChI InChI=1S/C22H23ClN6O2/c1-24-21(30)17-4-2-3-5-19(17)27-20-18(23)14-25-22(28-20)26-15-6-8-16(9-7-15)29-10-12-31-13-11-29/h2-9,14H,10-13H2,1H3,(H,24,30)(H2,25,26,27,28) | PDB
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization... |
Bioorg Med Chem 26: 4014-4024 (2018)
Article DOI: 10.1016/j.bmc.2018.06.027
BindingDB Entry DOI: 10.7270/Q29Z97K0 |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50462631
(CHEMBL4241193)Show SMILES COc1cc(Nc2ncc(C#N)c(Nc3ccccc3C(N)=O)n2)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C24H26N8O2/c1-31-9-11-32(12-10-31)20-8-7-17(13-21(20)34-2)28-24-27-15-16(14-25)23(30-24)29-19-6-4-3-5-18(19)22(26)33/h3-8,13,15H,9-12H2,1-2H3,(H2,26,33)(H2,27,28,29,30) | PDB
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| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization... |
Bioorg Med Chem 26: 4014-4024 (2018)
Article DOI: 10.1016/j.bmc.2018.06.027
BindingDB Entry DOI: 10.7270/Q29Z97K0 |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50506982
(CHEMBL533960 | D3RKN_89)Show SMILES COc1ccc(Nc2ncc(C#N)c(Nc3ccccc3C(N)=O)n2)cc1N1CCN(C)CC1 Show InChI InChI=1S/C24H26N8O2/c1-31-9-11-32(12-10-31)20-13-17(7-8-21(20)34-2)28-24-27-15-16(14-25)23(30-24)29-19-6-4-3-5-18(19)22(26)33/h3-8,13,15H,9-12H2,1-2H3,(H2,26,33)(H2,27,28,29,30) | PDB
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| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Displacement of (6-FAM)KI(pY)VV from full length PKMYT1 (unknown origin) by fluorescence polarization immuno assay |
Eur J Med Chem 161: 479-492 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.050
BindingDB Entry DOI: 10.7270/Q2C53Q5T |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM12255
(AZD0530 | CHEMBL217092 | Compound 33 | N-(5-chloro...)Show SMILES CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1 Show InChI InChI=1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31) | PDB
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PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization... |
Bioorg Med Chem 26: 4014-4024 (2018)
Article DOI: 10.1016/j.bmc.2018.06.027
BindingDB Entry DOI: 10.7270/Q29Z97K0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50506977
(CHEMBL4438584)Show SMILES CN1CCN(CCOc2cc3ncnc(Nc4c5OCOc5ccc4Cl)c3cc2OC2CCOCC2)CC1 Show InChI InChI=1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-23-15-21-19(14-24(23)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31) | PDB
MMDB
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KEGG
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B.MOAD
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PC sid
UniChem
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Displacement of (6-FAM)KI(pY)VV from full length PKMYT1 (unknown origin) by fluorescence polarization immuno assay |
Eur J Med Chem 161: 479-492 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.050
BindingDB Entry DOI: 10.7270/Q2C53Q5T |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM6568
(6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfa...)Show SMILES CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)| Show InChI InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26) | PDB
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PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Displacement of (6-FAM)KI(pY)VV from PKMYT1 kinase domain (unknown origin) by fluorescence polarization binding assay |
Eur J Med Chem 161: 479-492 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.050
BindingDB Entry DOI: 10.7270/Q2C53Q5T |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM6568
(6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfa...)Show SMILES CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)| Show InChI InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26) | PDB
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PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Displacement of (6-FAM)KI(pY)VV from PKMYT1 kinase domain (unknown origin) by fluorescence polarization binding assay |
Eur J Med Chem 161: 479-492 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.050
BindingDB Entry DOI: 10.7270/Q2C53Q5T |
More data for this
Ligand-Target Pair | |
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
MMDB
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| DrugBank
MMDB
PDB
Article
PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Inhibition of EGFR (unknown origin) using poly(Glu,Tyr)4:1 as substrate in presence of [gamma-33P]-ATP after 60 mins by scintillation counting analys... |
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 |
3D Structure (crystal) |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50506978
(CHEMBL4449182)Show InChI InChI=1S/C18H17N7O/c19-17(26)11-3-1-5-13(9-11)22-18-20-8-7-15(24-18)23-14-6-2-4-12-10-21-25-16(12)14/h1-9,21,25H,10H2,(H2,19,26)(H2,20,22,23,24) | PDB
MMDB
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UniChem
| Article
PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Displacement of (6-FAM)KI(pY)VV from full length PKMYT1 (unknown origin) by fluorescence polarization immuno assay |
Eur J Med Chem 161: 479-492 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.050
BindingDB Entry DOI: 10.7270/Q2C53Q5T |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM26179
(2,4-dianilino pyrimidine, 36 | 3-{[4-(1H-indazol-4...)Show SMILES NC(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1 Show InChI InChI=1S/C18H15N7O/c19-17(26)11-3-1-4-12(9-11)22-18-20-8-7-16(24-18)23-14-5-2-6-15-13(14)10-21-25-15/h1-10H,(H2,19,26)(H,21,25)(H2,20,22,23,24) | PDB
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PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization... |
Bioorg Med Chem 26: 4014-4024 (2018)
Article DOI: 10.1016/j.bmc.2018.06.027
BindingDB Entry DOI: 10.7270/Q29Z97K0 |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50462636
(CHEMBL4246519)Show InChI InChI=1S/C21H17N3O/c1-14-10-16(13-17(25)11-14)24-20-7-9-23-21-12-15(5-6-18(20)21)19-4-2-3-8-22-19/h2-13,25H,1H3,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Displacement of (6-FAM)KI(pY)VV from full length PKMYT1 (unknown origin) by fluorescence polarization immuno assay |
Eur J Med Chem 161: 479-492 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.050
BindingDB Entry DOI: 10.7270/Q2C53Q5T |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50462636
(CHEMBL4246519)Show InChI InChI=1S/C21H17N3O/c1-14-10-16(13-17(25)11-14)24-20-7-9-23-21-12-15(5-6-18(20)21)19-4-2-3-8-22-19/h2-13,25H,1H3,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization... |
Bioorg Med Chem 26: 4014-4024 (2018)
Article DOI: 10.1016/j.bmc.2018.06.027
BindingDB Entry DOI: 10.7270/Q29Z97K0 |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50462635
(CHEMBL582038 | D3RKN_85)Show InChI InChI=1S/C20H15N3O/c24-17-3-1-2-16(13-17)23-19-8-11-22-20-12-15(4-5-18(19)20)14-6-9-21-10-7-14/h1-13,24H,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
antibodypedia
GoogleScholar
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| PC cid
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UniChem
| Article
PubMed
| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Displacement of (6-FAM)KI(pY)VV from full length PKMYT1 (unknown origin) by fluorescence polarization immuno assay |
Eur J Med Chem 161: 479-492 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.050
BindingDB Entry DOI: 10.7270/Q2C53Q5T |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50462635
(CHEMBL582038 | D3RKN_85)Show InChI InChI=1S/C20H15N3O/c24-17-3-1-2-16(13-17)23-19-8-11-22-20-12-15(4-5-18(19)20)14-6-9-21-10-7-14/h1-13,24H,(H,22,23) | PDB
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KEGG
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| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization... |
Bioorg Med Chem 26: 4014-4024 (2018)
Article DOI: 10.1016/j.bmc.2018.06.027
BindingDB Entry DOI: 10.7270/Q29Z97K0 |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50506980
(CHEMBL4583196)Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2ccccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C21H24ClN7O2S/c1-14-24-18(12-19(25-14)29-8-6-28(7-9-29)10-11-30)27-21-23-13-17(32-21)20(31)26-16-5-3-2-4-15(16)22/h2-5,12-13,30H,6-11H2,1H3,(H,26,31)(H,23,24,25,27) | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Displacement of (6-FAM)KI(pY)VV from PKMYT1 kinase domain (unknown origin) by fluorescence polarization binding assay |
Eur J Med Chem 161: 479-492 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.050
BindingDB Entry DOI: 10.7270/Q2C53Q5T |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM13216
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27) | PDB
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Article
PubMed
| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl... |
Bioorg Med Chem 26: 4014-4024 (2018)
Article DOI: 10.1016/j.bmc.2018.06.027
BindingDB Entry DOI: 10.7270/Q29Z97K0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50506980
(CHEMBL4583196)Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2ccccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C21H24ClN7O2S/c1-14-24-18(12-19(25-14)29-8-6-28(7-9-29)10-11-30)27-21-23-13-17(32-21)20(31)26-16-5-3-2-4-15(16)22/h2-5,12-13,30H,6-11H2,1H3,(H,26,31)(H,23,24,25,27) | PDB
MMDB
Reactome pathway
KEGG
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| PC cid
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UniChem
| Article
PubMed
| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Displacement of (6-FAM)KI(pY)VV from PKMYT1 kinase domain (unknown origin) by fluorescence polarization binding assay |
Eur J Med Chem 161: 479-492 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.050
BindingDB Entry DOI: 10.7270/Q2C53Q5T |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50242522
(CHEMBL4061297)Show SMILES Nc1nc(NCc2ccc(Cl)cc2)c2c(n1)[nH]c1ccc(O)cc21 Show InChI InChI=1S/C17H14ClN5O/c18-10-3-1-9(2-4-10)8-20-15-14-12-7-11(24)5-6-13(12)21-16(14)23-17(19)22-15/h1-7,24H,8H2,(H4,19,20,21,22,23) | PDB
MMDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
| Article
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| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Inhibition of EGFR (unknown origin) using poly(Glu,Tyr)4:1 as substrate in presence of [gamma-33P]-ATP after 60 mins by scintillation counting analys... |
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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50242544
(CHEMBL4080640)Show InChI InChI=1S/C18H17N5O/c1-10-2-4-11(5-3-10)9-20-16-15-13-8-12(24)6-7-14(13)21-17(15)23-18(19)22-16/h2-8,24H,9H2,1H3,(H4,19,20,21,22,23) | PDB
MMDB
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| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Inhibition of EGFR (unknown origin) using poly(Glu,Tyr)4:1 as substrate in presence of [gamma-33P]-ATP after 60 mins by scintillation counting analys... |
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 | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50462633
(CHEMBL587965 | D3RKN_47)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2cccc(CS(C)(=O)=O)c2)ncc1C Show InChI InChI=1S/C21H23N5O3S/c1-14-12-23-21(24-16-8-6-7-15(11-16)13-30(3,28)29)26-19(14)25-18-10-5-4-9-17(18)20(27)22-2/h4-12H,13H2,1-3H3,(H,22,27)(H2,23,24,25,26) | PDB
MMDB
Reactome pathway
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| 104 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl... |
Bioorg Med Chem 26: 4014-4024 (2018)
Article DOI: 10.1016/j.bmc.2018.06.027
BindingDB Entry DOI: 10.7270/Q29Z97K0 |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50462633
(CHEMBL587965 | D3RKN_47)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2cccc(CS(C)(=O)=O)c2)ncc1C Show InChI InChI=1S/C21H23N5O3S/c1-14-12-23-21(24-16-8-6-7-15(11-16)13-30(3,28)29)26-19(14)25-18-10-5-4-9-17(18)20(27)22-2/h4-12H,13H2,1-3H3,(H,22,27)(H2,23,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
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UniChem
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| 104 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Displacement of (6-FAM)KI(pY)VV from PKMYT1 kinase domain (unknown origin) by fluorescence polarization binding assay |
Eur J Med Chem 161: 479-492 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.050
BindingDB Entry DOI: 10.7270/Q2C53Q5T |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50462633
(CHEMBL587965 | D3RKN_47)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2cccc(CS(C)(=O)=O)c2)ncc1C Show InChI InChI=1S/C21H23N5O3S/c1-14-12-23-21(24-16-8-6-7-15(11-16)13-30(3,28)29)26-19(14)25-18-10-5-4-9-17(18)20(27)22-2/h4-12H,13H2,1-3H3,(H,22,27)(H2,23,24,25,26) | PDB
MMDB
Reactome pathway
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UniChem
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PubMed
| 105 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Displacement of (6-FAM)KI(pY)VV from PKMYT1 kinase domain (unknown origin) by fluorescence polarization binding assay |
Eur J Med Chem 161: 479-492 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.050
BindingDB Entry DOI: 10.7270/Q2C53Q5T |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50242545
(CHEMBL4083162)Show SMILES Cc1cc2[nH]c3nc(N)nc(NCc4ccc(Cl)cc4)c3c2cc1O Show InChI InChI=1S/C18H16ClN5O/c1-9-6-13-12(7-14(9)25)15-16(23-18(20)24-17(15)22-13)21-8-10-2-4-11(19)5-3-10/h2-7,25H,8H2,1H3,(H4,20,21,22,23,24) | PDB
MMDB
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| CHEMBL
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UniChem
Similars
| Article
PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Inhibition of EGFR (unknown origin) using poly(Glu,Tyr)4:1 as substrate in presence of [gamma-33P]-ATP after 60 mins by scintillation counting analys... |
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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50242520
(CHEMBL4099589)Show InChI InChI=1S/C18H17N5O2/c1-25-12-5-2-10(3-6-12)9-20-16-15-13-8-11(24)4-7-14(13)21-17(15)23-18(19)22-16/h2-8,24H,9H2,1H3,(H4,19,20,21,22,23) | PDB
MMDB
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| CHEMBL
PC cid
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UniChem
| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Inhibition of EGFR (unknown origin) using poly(Glu,Tyr)4:1 as substrate in presence of [gamma-33P]-ATP after 60 mins by scintillation counting analys... |
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 | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50462632
(CHEMBL545839)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1Cl Show InChI InChI=1S/C22H23ClN6O2/c1-24-21(30)17-4-2-3-5-19(17)27-20-18(23)14-25-22(28-20)26-15-6-8-16(9-7-15)29-10-12-31-13-11-29/h2-9,14H,10-13H2,1H3,(H,24,30)(H2,25,26,27,28) | PDB
MMDB
Reactome pathway
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UniChem
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| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl... |
Bioorg Med Chem 26: 4014-4024 (2018)
Article DOI: 10.1016/j.bmc.2018.06.027
BindingDB Entry DOI: 10.7270/Q29Z97K0 |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50462632
(CHEMBL545839)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1Cl Show InChI InChI=1S/C22H23ClN6O2/c1-24-21(30)17-4-2-3-5-19(17)27-20-18(23)14-25-22(28-20)26-15-6-8-16(9-7-15)29-10-12-31-13-11-29/h2-9,14H,10-13H2,1H3,(H,24,30)(H2,25,26,27,28) | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
| Article
PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Displacement of (6-FAM)KI(pY)VV from PKMYT1 kinase domain (unknown origin) by fluorescence polarization binding assay |
Eur J Med Chem 161: 479-492 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.050
BindingDB Entry DOI: 10.7270/Q2C53Q5T |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50462632
(CHEMBL545839)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1Cl Show InChI InChI=1S/C22H23ClN6O2/c1-24-21(30)17-4-2-3-5-19(17)27-20-18(23)14-25-22(28-20)26-15-6-8-16(9-7-15)29-10-12-31-13-11-29/h2-9,14H,10-13H2,1H3,(H,24,30)(H2,25,26,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 182 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Displacement of (6-FAM)KI(pY)VV from PKMYT1 kinase domain (unknown origin) by fluorescence polarization binding assay |
Eur J Med Chem 161: 479-492 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.050
BindingDB Entry DOI: 10.7270/Q2C53Q5T |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50462635
(CHEMBL582038 | D3RKN_85)Show InChI InChI=1S/C20H15N3O/c24-17-3-1-2-16(13-17)23-19-8-11-22-20-12-15(4-5-18(19)20)14-6-9-21-10-7-14/h1-13,24H,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Displacement of (6-FAM)KI(pY)VV from PKMYT1 kinase domain (unknown origin) by fluorescence polarization binding assay |
Eur J Med Chem 161: 479-492 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.050
BindingDB Entry DOI: 10.7270/Q2C53Q5T |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50462635
(CHEMBL582038 | D3RKN_85)Show InChI InChI=1S/C20H15N3O/c24-17-3-1-2-16(13-17)23-19-8-11-22-20-12-15(4-5-18(19)20)14-6-9-21-10-7-14/h1-13,24H,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 201 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl... |
Bioorg Med Chem 26: 4014-4024 (2018)
Article DOI: 10.1016/j.bmc.2018.06.027
BindingDB Entry DOI: 10.7270/Q29Z97K0 |
More data for this
Ligand-Target Pair | |
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