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Compile Data Set for Download or QSAR

Found 7 hits of ic50 for UniProtKB: Q9UPE1   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
SRSF protein kinase 3


(Homo sapiens (Human))
BDBM50269809
PNG
(CHEMBL4077195)
Show SMILES Fc1ccc(COc2ccc(cc2C(=O)Nc2cccnc2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H14F4N2O2/c21-15-6-3-13(4-7-15)12-28-18-8-5-14(20(22,23)24)10-17(18)19(27)26-16-2-1-9-25-11-16/h1-11H,12H2,(H,26,27)
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n/an/a 158n/an/an/an/an/an/a



Neurodegeneration DPU, Neurosciences Therapeutic Area Unit, GSK Pharmaceuticals R&D, 898 Halei Road, Zhangjiang Hi-Tech Park, Pudong, Shanghai 201203, PR China.

Curated by ChEMBL


Assay Description
Inhibition of human MSSK1 GRSRSRSRSR as substrate in presence of [gamma-33P]-ATP


Bioorg Med Chem Lett 27: 4034-4038 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.052
BindingDB Entry DOI: 10.7270/Q2MG7S1N
More data for this
Ligand-Target Pair
SRSF protein kinase 3


(Homo sapiens (Human))
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 |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
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n/an/a 1.58E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human MSSK1 using GRSRSRSRSR as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmc.2018.02.022
BindingDB Entry DOI: 10.7270/Q2DJ5KB8
More data for this
Ligand-Target Pair
SRSF protein kinase 3


(Homo sapiens (Human))
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 |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
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n/an/a 1.96E+3n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human MSSK1 using GRSRSRSRSR as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 161: 456-467 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.052
BindingDB Entry DOI: 10.7270/Q2W380MT
More data for this
Ligand-Target Pair
SRSF protein kinase 3


(Homo sapiens (Human))
BDBM50135286
PNG
(CHEMBL3745885)
Show SMILES Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C22H15F2N5O3S/c1-29-20-13(9-19(21(29)30)33(31,32)18-5-2-14(23)10-16(18)24)11-26-22(28-20)27-15-3-4-17-12(8-15)6-7-25-17/h2-11,25H,1H3,(H,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human MSSK1 using [GRSRSRSRSR] as substrate


Bioorg Med Chem 24: 521-44 (2016)


Article DOI: 10.1016/j.bmc.2015.11.045
BindingDB Entry DOI: 10.7270/Q24Q7WT8
More data for this
Ligand-Target Pair
SRSF protein kinase 3


(Homo sapiens (Human))
BDBM50519662
PNG
(CHEMBL4438748)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C26H23N3O5/c1-29(2)20-8-6-17(7-9-20)26(32)28-19-5-3-4-18(14-19)27-25(31)16-34-21-10-11-22-23(30)12-13-33-24(22)15-21/h3-15H,16H2,1-2H3,(H,27,31)(H,28,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length human MSSK1 using ERMRPRKRQGSVRRRV as substrate measured after 40 mins in presence of [gamma33P]ATP by radiomet...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
SRSF protein kinase 3


(Homo sapiens (Human))
BDBM50429867
PNG
(CHEMBL2333365)
Show SMILES Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
Show InChI InChI=1S/C23H22FN3O4S/c1-14-18(5-7-20(22(14)24)32(2,29)30)23(28)27-9-10-31-19-6-3-15(11-17(19)13-27)16-4-8-21(25)26-12-16/h3-8,11-12H,9-10,13H2,1-2H3,(H2,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of MSSK1 (unknown origin)


J Med Chem 56: 2218-34 (2013)


Article DOI: 10.1021/jm3007933
BindingDB Entry DOI: 10.7270/Q2ZC847X
More data for this
Ligand-Target Pair
SRSF protein kinase 3


(Homo sapiens (Human))
BDBM50537742
PNG
(CHEMBL4634634 | US11179389, Compound 1-14)
Show SMILES C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C19H23N7O/c1-12-6-15(12)19(27)26-5-4-25(10-13(26)2)17-9-21-16(7-20)18(23-17)14-8-22-24(3)11-14/h8-9,11-13,15H,4-6,10H2,1-3H3/t12-,13-,15-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of neuraminidase of influenza A/PR/8/34(H1N1)


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126715
BindingDB Entry DOI: 10.7270/Q2HM5CZG
More data for this
Ligand-Target Pair