Found 133 hits of kd data for polymerid = 7407 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 |
|---|
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM50026612
(BIBF-1120 | Nintedanib | US10981896, Compound Nint...)Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28- | PDB
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| PDB
Article
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| n/a | n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MELK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM50538837
(CHEMBL4645393)Show SMILES CCOC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:16.17,wD:19.21,(64.46,-8.98,;63.13,-8.22,;61.81,-8.99,;60.47,-8.22,;60.46,-6.68,;59.14,-9,;59.14,-10.55,;57.81,-11.32,;56.47,-10.56,;55.14,-11.33,;53.81,-10.57,;53.81,-9.02,;55.13,-8.25,;56.47,-9.02,;57.8,-8.24,;57.79,-6.7,;56.45,-5.94,;55.12,-6.71,;53.79,-5.95,;53.78,-4.41,;52.44,-3.65,;52.43,-2.12,;55.1,-3.63,;56.44,-4.4,;52.48,-8.25,;52.48,-6.71,;51.15,-5.94,;51.15,-4.4,;49.81,-6.71,;48.48,-5.94,;49.82,-8.26,;48.49,-9.04,;51.15,-9.02,)| Show InChI InChI=1S/C24H26Cl2N4O3/c1-2-33-24(32)16-12-28-20-8-7-19(14-9-17(25)23(31)18(26)10-14)30-22(20)21(16)29-15-5-3-13(11-27)4-6-15/h7-10,12-13,15,31H,2-6,11,27H2,1H3,(H,28,29)/t13-,15- | PDB
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Stanford University
Curated by ChEMBL
| Assay Description
Binding affinity to wild-type human full length MELK (M1 to V651 residues) expressed in bacterial expression system by Kinomescan method |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115193
BindingDB Entry DOI: 10.7270/Q2ZC86FF |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM50538824
(CHEMBL4647416)Show SMILES CCOC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:16.17,wD:19.21,(38.56,-10.48,;37.23,-9.73,;35.9,-10.5,;34.57,-9.75,;34.56,-8.21,;33.24,-10.53,;33.25,-12.08,;31.92,-12.85,;30.58,-12.08,;29.24,-12.86,;27.92,-12.09,;27.92,-10.55,;29.24,-9.77,;30.58,-10.54,;31.9,-9.76,;31.9,-8.22,;30.56,-7.47,;29.23,-8.24,;27.9,-7.48,;27.89,-5.94,;26.55,-5.17,;26.54,-3.64,;25.2,-2.88,;27.87,-2.87,;29.21,-5.16,;30.55,-5.93,;26.59,-9.77,;26.59,-8.23,;25.26,-7.47,;25.26,-5.93,;23.92,-8.23,;22.58,-7.47,;23.93,-9.78,;22.59,-10.56,;25.26,-10.55,)| Show InChI InChI=1S/C26H30Cl2N4O3/c1-4-35-26(34)18-13-29-22-10-9-21(16-11-19(27)25(33)20(28)12-16)31-24(22)23(18)30-17-7-5-15(6-8-17)14-32(2)3/h9-13,15,17,33H,4-8,14H2,1-3H3,(H,29,30)/t15-,17- | PDB
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Stanford University
Curated by ChEMBL
| Assay Description
Binding affinity to wild-type human full length MELK (M1 to V651 residues) expressed in bacterial expression system by Kinomescan method |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115193
BindingDB Entry DOI: 10.7270/Q2ZC86FF |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM50538830
(CHEMBL4644916)Show SMILES CCCCNC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:18.19,wD:21.23,(87.72,-28.11,;86.39,-27.35,;85.07,-28.12,;83.74,-27.36,;82.41,-28.13,;81.07,-27.37,;81.06,-25.83,;79.74,-28.15,;79.75,-29.7,;78.42,-30.47,;77.08,-29.71,;75.75,-30.48,;74.42,-29.71,;74.42,-28.17,;75.74,-27.39,;77.08,-28.16,;78.41,-27.39,;78.4,-25.85,;77.06,-25.09,;75.73,-25.86,;74.4,-25.1,;74.39,-23.56,;73.05,-22.79,;73.04,-21.26,;71.7,-20.51,;74.37,-20.49,;75.71,-22.78,;77.05,-23.55,;73.09,-27.4,;73.09,-25.85,;71.76,-25.09,;71.76,-23.55,;70.42,-25.85,;69.09,-25.09,;70.43,-27.4,;69.1,-28.18,;71.76,-28.17,)| Show InChI InChI=1S/C28H35Cl2N5O2/c1-4-5-12-31-28(37)20-15-32-24-11-10-23(18-13-21(29)27(36)22(30)14-18)34-26(24)25(20)33-19-8-6-17(7-9-19)16-35(2)3/h10-11,13-15,17,19,36H,4-9,12,16H2,1-3H3,(H,31,37)(H,32,33)/t17-,19- | PDB
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Stanford University
Curated by ChEMBL
| Assay Description
Binding affinity to wild-type human full length MELK (M1 to V651 residues) expressed in bacterial expression system by Kinomescan method |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115193
BindingDB Entry DOI: 10.7270/Q2ZC86FF |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM50538851
(CHEMBL4648260)Show SMILES CCOC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@@H](CC1)C(=O)N(C)C)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:16.17,wD:19.24,(18.71,-8.92,;17.38,-8.16,;16.05,-8.93,;14.71,-8.16,;14.7,-6.62,;13.38,-8.95,;13.39,-10.5,;12.05,-11.27,;10.71,-10.5,;9.38,-11.28,;8.05,-10.51,;8.05,-8.97,;9.37,-8.19,;10.71,-8.96,;12.04,-8.18,;12.03,-6.64,;10.7,-5.88,;9.38,-6.66,;8.05,-5.89,;8.05,-4.36,;9.37,-3.59,;10.7,-4.35,;6.72,-3.59,;5.18,-3.58,;6.71,-2.06,;8.04,-1.29,;5.38,-1.29,;6.72,-8.19,;5.39,-8.97,;4.05,-8.2,;2.72,-8.98,;4.04,-6.65,;2.71,-5.88,;5.38,-5.88,;5.39,-4.35,;6.71,-6.65,)| Show InChI InChI=1S/C26H28Cl2N4O4/c1-4-36-26(35)17-13-29-21-10-9-20(15-11-18(27)24(33)19(28)12-15)31-23(21)22(17)30-16-7-5-14(6-8-16)25(34)32(2)3/h9-14,16,33H,4-8H2,1-3H3,(H,29,30)/t14-,16- | PDB
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Stanford University
Curated by ChEMBL
| Assay Description
Binding affinity to wild-type human full length MELK (M1 to V651 residues) expressed in bacterial expression system by Kinomescan method |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115193
BindingDB Entry DOI: 10.7270/Q2ZC86FF |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM60438
(US9067937, 28)Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:7.10,wD:4.3,(-2.06,4.84,;-1.29,3.5,;.2,3.9,;-1.69,2.02,;-.6,.93,;-1,-.56,;.09,-1.65,;1.58,-1.25,;1.98,.24,;.89,1.33,;2.67,-2.34,;2.67,-3.88,;4,-4.65,;4,-6.19,;2.67,-6.96,;1.33,-6.19,;,-6.96,;-1.33,-6.19,;-1.33,-4.65,;,-3.88,;1.33,-4.65,;-2.67,-3.88,;-2.67,-2.34,;-4,-1.57,;-4,-.03,;-5.33,-2.34,;-6.67,-1.57,;-5.33,-3.88,;-6.67,-4.65,;-4,-4.65,;5.33,-3.88,;6.67,-4.65,;5.33,-2.34,)| Show InChI InChI=1S/C25H28Cl2N4O2/c1-14(32)18-12-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-17-6-4-15(5-7-17)13-31(2)3/h8-12,15,17,33H,4-7,13H2,1-3H3,(H,28,29)/t15-,17- | PDB
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Stanford University
Curated by ChEMBL
| Assay Description
Binding affinity to wild-type human full length MELK (M1 to V651 residues) expressed in bacterial expression system by Kinomescan method |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115193
BindingDB Entry DOI: 10.7270/Q2ZC86FF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM50308060
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1 | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding affinity to MELK |
Blood 114: 2984-92 (2009)
Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2 |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM50308060
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1 | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MELK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(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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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MELK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM31096
(CHEMBL290084 | Staurosporine | cid_451705)Show SMILES CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 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+/m0/s1 | PDB
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Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2TM78GH |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(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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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for full-length MELK |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM50505542
(CHEMBL4576489)Show SMILES [H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60| Show InChI InChI=1S/C50H56BF2N7O7/c1-30-26-31(2)59-39(30)27-33-15-14-32(60(33)51(59,52)53)16-17-41(61)54-18-20-64-22-24-66-25-23-65-21-19-56(4)40-28-42-57-37-12-8-6-10-34(37)44-45-36(29-55-49(45)62)43-35-11-7-9-13-38(35)58(47(43)46(44)57)50(3,67-42)48(40)63-5/h6-15,26-27,40,42,48H,16-25,28-29H2,1-5H3,(H,54,61)(H,55,62)/t40-,42-,48-,50+/m1/s1 | PDB
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Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged MELK (unknown origin) (1 to 493 residues) expressed in baculovirus infecte... |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.126641
BindingDB Entry DOI: 10.7270/Q2RV0S0K |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM50505541
(CHEMBL4465866)Show SMILES [H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21| Show InChI InChI=1S/C49H54BF2N7O7/c1-29-25-30(2)58-39(29)26-32-14-13-31(59(32)50(58,51)52)15-16-40(60)54-18-20-64-22-24-65-23-21-63-19-17-53-36-27-41-56-37-11-7-5-9-33(37)43-44-35(28-55-48(44)61)42-34-10-6-8-12-38(34)57(46(42)45(43)56)49(3,66-41)47(36)62-4/h5-14,25-26,36,41,47,53H,15-24,27-28H2,1-4H3,(H,54,60)(H,55,61)/t36-,41-,47-,49+/m1/s1 | PDB
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Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged MELK (unknown origin) (1 to 493 residues) expressed in baculovirus infecte... |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.126641
BindingDB Entry DOI: 10.7270/Q2RV0S0K |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM482158
(BDBM50242742 | TAE684)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35) | PDB
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| n/a | n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MELK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM36409
(2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin...)Show SMILES CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MELK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM50355496
(CHEMBL1908397)Show SMILES O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1 Show InChI InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+ | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MELK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM13534
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for full-length MELK |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM13534
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MELK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM13534
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB
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Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2TM78GH |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM31094
(PKC-412 | cid_24202429)Show SMILES [H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2| Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m0/s1 | PDB
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Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2TM78GH |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM50326053
(CHEMBL608533 | PKC-412)Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1 | PDB
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| n/a | n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MELK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM50326053
(CHEMBL608533 | PKC-412)Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1 | PDB
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| n/a | n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding affinity to MELK |
Blood 114: 2984-92 (2009)
Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2 |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM50326053
(CHEMBL608533 | PKC-412)Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1 | PDB
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| n/a | n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for full-length MELK |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM50355504
(CHEMBL1908393)Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21| Show InChI InChI=1S/C34H36F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3,5-9,12,19-22H,2,4,10-11,13-18H2,1H3,(H,38,41)(H,39,42) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MELK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM31095
(5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-yli...)Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1 Show InChI InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1 | PDB
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| n/a | n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for full-length MELK |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM31095
(5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-yli...)Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1 Show InChI InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1 | PDB
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| n/a | n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MELK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM31095
(5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-yli...)Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1 Show InChI InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1 | PDB
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| n/a | n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2TM78GH |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB
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| n/a | n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MELK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB
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| n/a | n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding affinity to MELK |
Blood 114: 2984-92 (2009)
Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2 |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB
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Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2TM78GH |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for full-length MELK |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM15138
(5-indazolyl pyridine 11g | 5-{5-[(2S)-2-amino-3-ph...)Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r| Show InChI InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1 | PDB
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| n/a | n/a | n/a | 590 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MELK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM31085
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37) | PDB
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Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2TM78GH |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM31085
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MELK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM31085
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37) | PDB
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| n/a | n/a | n/a | 830 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for full-length MELK |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM25013
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S...)Show SMILES CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r| Show InChI InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1 | PDB
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| n/a | n/a | n/a | 890 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MELK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM50355499
(CHEMBL1908395 | CHEMBL1908842)Show SMILES CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31| Show InChI InChI=1S/C26H32N6O2/c1-31(2)17-24(33)32-12-10-18(11-13-32)20-8-9-23(22(14-20)19-6-4-3-5-7-19)30-26(34)25-28-16-21(15-27)29-25/h6,8-9,14,16,18H,3-5,7,10-13,17H2,1-2H3,(H,28,29)(H,30,34) | PDB
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| n/a | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MELK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM25118
((3Z)-4-amino-5-fluoro-3-[5-(4-methylpiperazino)-1,...)Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O Show InChI InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29) | PDB
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| n/a | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for full-length MELK |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM25118
((3Z)-4-amino-5-fluoro-3-[5-(4-methylpiperazino)-1,...)Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O Show InChI InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29) | PDB
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| n/a | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2TM78GH |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM50161957
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+ | PDB
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| n/a | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MELK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM25118
((3Z)-4-amino-5-fluoro-3-[5-(4-methylpiperazino)-1,...)Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O Show InChI InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29) | PDB
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| n/a | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MELK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM13530
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34) | PDB
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| n/a | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for full-length MELK |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM13530
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34) | PDB
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| n/a | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2TM78GH |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM13530
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34) | PDB
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| n/a | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MELK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM50355501
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1 | PDB
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| n/a | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MELK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM50332294
(CHEMBL1287853 | N-tert-butyl-3-(5-methyl-2-(4-(2-(...)Show SMILES Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C Show InChI InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31) | PDB
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| n/a | n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MELK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM5931
(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22) | PDB
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| n/a | n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2TM78GH |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM5931
(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22) | PDB
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| n/a | n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for full-length MELK |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM50128285
(3-(1-Methyl-1H-indol-3-yl)-4-[1-(1-pyridin-2-ylmet...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39) | PDB
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MCE
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PubMed
| n/a | n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MELK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM5931
(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MELK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
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