Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50010818 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 |
|---|
Serine/threonine-protein kinase LMTK3
(Homo sapiens) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 0.00200 | n/a | n/a | n/a | n/a | n/a | n/a |
San Diego State University
Curated by ChEMBL
| Assay Description
Inhibition of LMTK3 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127108
BindingDB Entry DOI: 10.7270/Q26M3BDB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase LMTK3
(Homo sapiens) | BDBM50542351
(CHEMBL4637017)Show SMILES CC(C)C[C@H]1CNC(=N)N1C[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccccc1Cl |r| Show InChI InChI=1S/C22H29ClN4O3S/c1-15(2)11-18-13-25-22(24)27(18)14-17(12-16-7-9-19(28)10-8-16)26-31(29,30)21-6-4-3-5-20(21)23/h3-10,15,17-18,26,28H,11-14H2,1-2H3,(H2,24,25)/t17-,18-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
San Diego State University
Curated by ChEMBL
| Assay Description
Inhibition of LMTK3 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127108
BindingDB Entry DOI: 10.7270/Q26M3BDB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase LMTK3
(Homo sapiens) | BDBM50542348
(CHEMBL4647760)Show SMILES Oc1ccc(C[C@@H](CN2[C@@H](CC3CCCCC3)CNC2=N)NS(=O)(=O)c2ccccc2Cl)cc1 |r| Show InChI InChI=1S/C25H33ClN4O3S/c26-23-8-4-5-9-24(23)34(32,33)29-20(14-19-10-12-22(31)13-11-19)17-30-21(16-28-25(30)27)15-18-6-2-1-3-7-18/h4-5,8-13,18,20-21,29,31H,1-3,6-7,14-17H2,(H2,27,28)/t20-,21-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 226 | n/a | n/a | n/a | n/a | n/a | n/a |
San Diego State University
Curated by ChEMBL
| Assay Description
Inhibition of LMTK3 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127108
BindingDB Entry DOI: 10.7270/Q26M3BDB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase LMTK3
(Homo sapiens) | BDBM50542350
(CHEMBL4635320)Show SMILES CC(C)C[C@H]1CNC(=N)N1C[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C23H32N4O3S/c1-16(2)12-20-14-25-23(24)27(20)15-19(13-18-6-8-21(28)9-7-18)26-31(29,30)22-10-4-17(3)5-11-22/h4-11,16,19-20,26,28H,12-15H2,1-3H3,(H2,24,25)/t19-,20-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 308 | n/a | n/a | n/a | n/a | n/a | n/a |
San Diego State University
Curated by ChEMBL
| Assay Description
Inhibition of LMTK3 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127108
BindingDB Entry DOI: 10.7270/Q26M3BDB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase LMTK3
(Homo sapiens) | BDBM50542349
(CHEMBL4649625)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H](CN1[C@@H](CC2CCCCC2)CNC1=N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C26H36N4O3S/c1-19-7-13-25(14-8-19)34(32,33)29-22(15-21-9-11-24(31)12-10-21)18-30-23(17-28-26(30)27)16-20-5-3-2-4-6-20/h7-14,20,22-23,29,31H,2-6,15-18H2,1H3,(H2,27,28)/t22-,23-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 318 | n/a | n/a | n/a | n/a | n/a | n/a |
San Diego State University
Curated by ChEMBL
| Assay Description
Inhibition of LMTK3 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127108
BindingDB Entry DOI: 10.7270/Q26M3BDB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase LMTK3
(Homo sapiens) | BDBM50542347
(CHEMBL4638119)Show SMILES CC(C)C[C@H]1CNC(=N)N1C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C22H30N4O2S/c1-17(2)13-20-15-24-22(23)26(20)16-19(14-18-9-5-3-6-10-18)25-29(27,28)21-11-7-4-8-12-21/h3-12,17,19-20,25H,13-16H2,1-2H3,(H2,23,24)/t19-,20-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 654 | n/a | n/a | n/a | n/a | n/a | n/a |
San Diego State University
Curated by ChEMBL
| Assay Description
Inhibition of LMTK3 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127108
BindingDB Entry DOI: 10.7270/Q26M3BDB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase LMTK3
(Homo sapiens) | BDBM50542346
(CHEMBL4649046)Show SMILES N=C1NC[C@H](CC2CCCCC2)N1C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H34N4O2S/c26-25-27-18-23(17-21-12-6-2-7-13-21)29(25)19-22(16-20-10-4-1-5-11-20)28-32(30,31)24-14-8-3-9-15-24/h1,3-5,8-11,14-15,21-23,28H,2,6-7,12-13,16-19H2,(H2,26,27)/t22-,23-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
San Diego State University
Curated by ChEMBL
| Assay Description
Inhibition of LMTK3 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127108
BindingDB Entry DOI: 10.7270/Q26M3BDB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase LMTK3
(Homo sapiens) | BDBM50299148
((S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrro...)Show SMILES C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r| Show InChI InChI=1S/C23H24FN9O/c1-23(21(34)26-15-7-8-18(24)25-13-15)9-3-10-32(23)22-28-20(17-4-2-11-33(17)31-22)27-19-12-16(29-30-19)14-5-6-14/h2,4,7-8,11-14H,3,5-6,9-10H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t23-/m0/s1 | PDB
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PubMed
| n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
San Diego State University
Curated by ChEMBL
| Assay Description
Inhibition of LMTK3 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127108
BindingDB Entry DOI: 10.7270/Q26M3BDB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase LMTK3
(Homo sapiens) | BDBM158154
(US10081622, Compound 11 | US10370379, Entrectinib ...)Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40) | PDB
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| n/a | n/a | 4.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
San Diego State University
Curated by ChEMBL
| Assay Description
Inhibition of LMTK3 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127108
BindingDB Entry DOI: 10.7270/Q26M3BDB |
More data for this
Ligand-Target Pair | |
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