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Compile Data Set for Download or QSAR

Found 6 hits of affinity data for UniProtKB/TrEMBL: Q96Q04   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase LMTK3


(Homo sapiens)
BDBM2579
PNG
((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
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
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CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
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PubMed
n/an/a 2.40n/an/an/an/an/an/a



San Diego State University

Curated by ChEMBL


Assay Description
Inhibition of LMTK3 (unknown origin)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase LMTK3


(Homo sapiens)
BDBM50542351
PNG
(CHEMBL4637017)
Show SMILES CC(C)C[C@H]1CNC(=N)N1C[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccccc1Cl
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
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n/an/a 210n/an/an/an/an/an/a



San Diego State University

Curated by ChEMBL


Assay Description
Inhibition of LMTK3 (unknown origin)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase LMTK3


(Homo sapiens)
BDBM50542348
PNG
(CHEMBL4647760)
Show SMILES Oc1ccc(C[C@@H](CN2[C@@H](CC3CCCCC3)CNC2=N)NS(=O)(=O)c2ccccc2Cl)cc1
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
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n/an/a 226n/an/an/an/an/an/a



San Diego State University

Curated by ChEMBL


Assay Description
Inhibition of LMTK3 (unknown origin)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase LMTK3


(Homo sapiens)
BDBM50542350
PNG
(CHEMBL4635320)
Show SMILES CC(C)C[C@H]1CNC(=N)N1C[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccc(C)cc1
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
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n/an/a 308n/an/an/an/an/an/a



San Diego State University

Curated by ChEMBL


Assay Description
Inhibition of LMTK3 (unknown origin)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase LMTK3


(Homo sapiens)
BDBM50542349
PNG
(CHEMBL4649625)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H](CN1[C@@H](CC2CCCCC2)CNC1=N)Cc1ccc(O)cc1
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
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n/an/a 318n/an/an/an/an/an/a



San Diego State University

Curated by ChEMBL


Assay Description
Inhibition of LMTK3 (unknown origin)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase LMTK3


(Homo sapiens)
BDBM50542347
PNG
(CHEMBL4638119)
Show SMILES CC(C)C[C@H]1CNC(=N)N1C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1
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
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n/an/a 654n/an/an/an/an/an/a



San Diego State University

Curated by ChEMBL


Assay Description
Inhibition of LMTK3 (unknown origin)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair