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PubMed code 28566208

Compile data set for download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
STE20/SPS1-related proline-alanine-rich protein kinase


(Rattus norvegicus)		BDBM50267911
PNG
(CHEMBL4096245)
Show SMILES Nc1c2ccc(NC(=O)Nc3ccc(cc3)C#N)cc2nc2ccc(O)cc12
Show InChI InChI=1S/C21H15N5O2/c22-11-12-1-3-13(4-2-12)24-21(28)25-14-5-7-16-19(9-14)26-18-8-6-15(27)10-17(18)20(16)23/h1-10,27H,(H2,23,26)(H2,24,25,28)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Institute of Biomaterials and Bioengineering, Tokyo Medical and Dental University (TMDU), 2-3-10 Kanda-Surugadai, Chiyodaku, Tokyo 101-0062, Japan.

Curated by ChEMBL


Assay Description
Inhibition of TAMRA-labelled WNK4 binding to recombinant rat C-terminal GST-fused SPAK (452 to 553 residues) expressed in Escherichia coli BL21 measu...

Bioorg Med Chem 25: 3845-3852 (2017)


Article DOI: 10.1016/j.bmc.2017.05.034
BindingDB Entry DOI: 10.7270/Q22Z1811
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Rattus norvegicus)		BDBM50267897
PNG
(CHEMBL4092297)
Show SMILES CCOc1ccc2nc3cc(NC(=O)c4cccc(c4)C#N)ccc3c(N)c2c1
Show InChI InChI=1S/C23H18N4O2/c1-2-29-17-7-9-20-19(12-17)22(25)18-8-6-16(11-21(18)27-20)26-23(28)15-5-3-4-14(10-15)13-24/h3-12H,2H2,1H3,(H2,25,27)(H,26,28)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Institute of Biomaterials and Bioengineering, Tokyo Medical and Dental University (TMDU), 2-3-10 Kanda-Surugadai, Chiyodaku, Tokyo 101-0062, Japan.

Curated by ChEMBL


Assay Description
Inhibition of TAMRA-labelled WNK4 binding to recombinant rat C-terminal GST-fused SPAK (452 to 553 residues) expressed in Escherichia coli BL21 measu...

Bioorg Med Chem 25: 3845-3852 (2017)


Article DOI: 10.1016/j.bmc.2017.05.034
BindingDB Entry DOI: 10.7270/Q22Z1811
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Rattus norvegicus)		BDBM50267896
PNG
(CHEMBL4064614)
Show SMILES CCOc1ccc2nc3cc(NC(=O)c4cccc(c4)[N+]([O-])=O)ccc3c(N)c2c1
Show InChI InChI=1S/C22H18N4O4/c1-2-30-16-7-9-19-18(12-16)21(23)17-8-6-14(11-20(17)25-19)24-22(27)13-4-3-5-15(10-13)26(28)29/h3-12H,2H2,1H3,(H2,23,25)(H,24,27)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Institute of Biomaterials and Bioengineering, Tokyo Medical and Dental University (TMDU), 2-3-10 Kanda-Surugadai, Chiyodaku, Tokyo 101-0062, Japan.

Curated by ChEMBL


Assay Description
Inhibition of TAMRA-labelled WNK4 binding to recombinant rat C-terminal GST-fused SPAK (452 to 553 residues) expressed in Escherichia coli BL21 measu...

Bioorg Med Chem 25: 3845-3852 (2017)


Article DOI: 10.1016/j.bmc.2017.05.034
BindingDB Entry DOI: 10.7270/Q22Z1811
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Rattus norvegicus)		BDBM50267893
PNG
(CHEMBL4086083)
Show SMILES COc1ccc2nc3cc(NC(=O)Nc4ccc(cc4)C#N)ccc3c(N)c2c1
Show InChI InChI=1S/C22H17N5O2/c1-29-16-7-9-19-18(11-16)21(24)17-8-6-15(10-20(17)27-19)26-22(28)25-14-4-2-13(12-23)3-5-14/h2-11H,1H3,(H2,24,27)(H2,25,26,28)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Institute of Biomaterials and Bioengineering, Tokyo Medical and Dental University (TMDU), 2-3-10 Kanda-Surugadai, Chiyodaku, Tokyo 101-0062, Japan.

Curated by ChEMBL


Assay Description
Inhibition of TAMRA-labelled WNK4 binding to recombinant rat C-terminal GST-fused SPAK (452 to 553 residues) expressed in Escherichia coli BL21 measu...

Bioorg Med Chem 25: 3845-3852 (2017)


Article DOI: 10.1016/j.bmc.2017.05.034
BindingDB Entry DOI: 10.7270/Q22Z1811
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Rattus norvegicus)		BDBM50267909
PNG
(CHEMBL4094766)
Show SMILES CCOc1ccc2nc3cc(NC(=O)c4ccc(cc4)C#N)ccc3c(N)c2c1
Show InChI InChI=1S/C23H18N4O2/c1-2-29-17-8-10-20-19(12-17)22(25)18-9-7-16(11-21(18)27-20)26-23(28)15-5-3-14(13-24)4-6-15/h3-12H,2H2,1H3,(H2,25,27)(H,26,28)
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n/an/a 6.90E+3n/an/an/an/an/an/a



Institute of Biomaterials and Bioengineering, Tokyo Medical and Dental University (TMDU), 2-3-10 Kanda-Surugadai, Chiyodaku, Tokyo 101-0062, Japan.

Curated by ChEMBL


Assay Description
Inhibition of TAMRA-labelled WNK4 binding to recombinant rat C-terminal GST-fused SPAK (452 to 553 residues) expressed in Escherichia coli BL21 measu...

Bioorg Med Chem 25: 3845-3852 (2017)


Article DOI: 10.1016/j.bmc.2017.05.034
BindingDB Entry DOI: 10.7270/Q22Z1811
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Rattus norvegicus)		BDBM50267895
PNG
(CHEMBL4084562)
Show SMILES CCOc1ccc2nc3cc(NC(=O)c4ccc5ccccc5c4)ccc3c(N)c2c1
Show InChI InChI=1S/C26H21N3O2/c1-2-31-20-10-12-23-22(15-20)25(27)21-11-9-19(14-24(21)29-23)28-26(30)18-8-7-16-5-3-4-6-17(16)13-18/h3-15H,2H2,1H3,(H2,27,29)(H,28,30)
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n/an/a 7.60E+3n/an/an/an/an/an/a



Institute of Biomaterials and Bioengineering, Tokyo Medical and Dental University (TMDU), 2-3-10 Kanda-Surugadai, Chiyodaku, Tokyo 101-0062, Japan.

Curated by ChEMBL


Assay Description
Inhibition of TAMRA-labelled WNK4 binding to recombinant rat C-terminal GST-fused SPAK (452 to 553 residues) expressed in Escherichia coli BL21 measu...

Bioorg Med Chem 25: 3845-3852 (2017)


Article DOI: 10.1016/j.bmc.2017.05.034
BindingDB Entry DOI: 10.7270/Q22Z1811
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Rattus norvegicus)		BDBM50267916
PNG
(CHEMBL531227 | TCMDC-125004)
Show SMILES CCOc1ccc2nc3cc(NC(=O)c4ccco4)ccc3c(N)c2c1
Show InChI InChI=1S/C20H17N3O3/c1-2-25-13-6-8-16-15(11-13)19(21)14-7-5-12(10-17(14)23-16)22-20(24)18-4-3-9-26-18/h3-11H,2H2,1H3,(H2,21,23)(H,22,24)
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n/an/a 8.20E+3n/an/an/an/an/an/a



Institute of Biomaterials and Bioengineering, Tokyo Medical and Dental University (TMDU), 2-3-10 Kanda-Surugadai, Chiyodaku, Tokyo 101-0062, Japan.

Curated by ChEMBL


Assay Description
Inhibition of TAMRA-labelled WNK4 binding to recombinant rat C-terminal GST-fused SPAK (452 to 553 residues) expressed in Escherichia coli BL21 measu...

Bioorg Med Chem 25: 3845-3852 (2017)


Article DOI: 10.1016/j.bmc.2017.05.034
BindingDB Entry DOI: 10.7270/Q22Z1811
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Rattus norvegicus)		BDBM50267913
PNG
(CHEMBL602783 | GNF-Pf-3043)
Show SMILES CCOc1ccc2nc3cc(NCc4ccco4)ccc3c(N)c2c1
Show InChI InChI=1S/C20H19N3O2/c1-2-24-14-6-8-18-17(11-14)20(21)16-7-5-13(10-19(16)23-18)22-12-15-4-3-9-25-15/h3-11,22H,2,12H2,1H3,(H2,21,23)
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n/an/a 1.54E+4n/an/an/an/an/an/a



Institute of Biomaterials and Bioengineering, Tokyo Medical and Dental University (TMDU), 2-3-10 Kanda-Surugadai, Chiyodaku, Tokyo 101-0062, Japan.

Curated by ChEMBL


Assay Description
Inhibition of TAMRA-labelled WNK4 binding to recombinant rat C-terminal GST-fused SPAK (452 to 553 residues) expressed in Escherichia coli BL21 measu...

Bioorg Med Chem 25: 3845-3852 (2017)


Article DOI: 10.1016/j.bmc.2017.05.034
BindingDB Entry DOI: 10.7270/Q22Z1811
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Rattus norvegicus)		BDBM50267901
PNG
(CHEMBL4087066)
Show SMILES CCOc1ccc2nc3cc(NC(=O)c4ccc(cc4)[N+]([O-])=O)ccc3c(N)c2c1
Show InChI InChI=1S/C22H18N4O4/c1-2-30-16-8-10-19-18(12-16)21(23)17-9-5-14(11-20(17)25-19)24-22(27)13-3-6-15(7-4-13)26(28)29/h3-12H,2H2,1H3,(H2,23,25)(H,24,27)
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n/an/a 2.09E+4n/an/an/an/an/an/a



Institute of Biomaterials and Bioengineering, Tokyo Medical and Dental University (TMDU), 2-3-10 Kanda-Surugadai, Chiyodaku, Tokyo 101-0062, Japan.

Curated by ChEMBL


Assay Description
Inhibition of TAMRA-labelled WNK4 binding to recombinant rat C-terminal GST-fused SPAK (452 to 553 residues) expressed in Escherichia coli BL21 measu...

Bioorg Med Chem 25: 3845-3852 (2017)


Article DOI: 10.1016/j.bmc.2017.05.034
BindingDB Entry DOI: 10.7270/Q22Z1811
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Rattus norvegicus)		BDBM50267917
PNG
(CHEMBL4080499)
Show SMILES CCOc1ccc2nc3cc(NCc4ccc(OC)cc4OC)ccc3c(N)c2c1
Show InChI InChI=1S/C24H25N3O3/c1-4-30-18-8-10-21-20(12-18)24(25)19-9-6-16(11-22(19)27-21)26-14-15-5-7-17(28-2)13-23(15)29-3/h5-13,26H,4,14H2,1-3H3,(H2,25,27)
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n/an/a 2.11E+4n/an/an/an/an/an/a



Institute of Biomaterials and Bioengineering, Tokyo Medical and Dental University (TMDU), 2-3-10 Kanda-Surugadai, Chiyodaku, Tokyo 101-0062, Japan.

Curated by ChEMBL


Assay Description
Inhibition of TAMRA-labelled WNK4 binding to recombinant rat C-terminal GST-fused SPAK (452 to 553 residues) expressed in Escherichia coli BL21 measu...

Bioorg Med Chem 25: 3845-3852 (2017)


Article DOI: 10.1016/j.bmc.2017.05.034
BindingDB Entry DOI: 10.7270/Q22Z1811
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Rattus norvegicus)		BDBM50267915
PNG
(CHEMBL4088361)
Show SMILES CCOc1ccc2nc3cc(NC(=O)c4ccccc4)ccc3c(N)c2c1
Show InChI InChI=1S/C22H19N3O2/c1-2-27-16-9-11-19-18(13-16)21(23)17-10-8-15(12-20(17)25-19)24-22(26)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H2,23,25)(H,24,26)
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n/an/a 2.82E+4n/an/an/an/an/an/a



Institute of Biomaterials and Bioengineering, Tokyo Medical and Dental University (TMDU), 2-3-10 Kanda-Surugadai, Chiyodaku, Tokyo 101-0062, Japan.

Curated by ChEMBL


Assay Description
Inhibition of TAMRA-labelled WNK4 binding to recombinant rat C-terminal GST-fused SPAK (452 to 553 residues) expressed in Escherichia coli BL21 measu...

Bioorg Med Chem 25: 3845-3852 (2017)


Article DOI: 10.1016/j.bmc.2017.05.034
BindingDB Entry DOI: 10.7270/Q22Z1811
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Rattus norvegicus)		BDBM50267921
PNG
(CHEMBL4095711)
Show SMILES CCOc1ccc2nc3cc(NCc4ccccc4)ccc3c(N)c2c1
Show InChI InChI=1S/C22H21N3O/c1-2-26-17-9-11-20-19(13-17)22(23)18-10-8-16(12-21(18)25-20)24-14-15-6-4-3-5-7-15/h3-13,24H,2,14H2,1H3,(H2,23,25)
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n/an/a 3.56E+4n/an/an/an/an/an/a



Institute of Biomaterials and Bioengineering, Tokyo Medical and Dental University (TMDU), 2-3-10 Kanda-Surugadai, Chiyodaku, Tokyo 101-0062, Japan.

Curated by ChEMBL


Assay Description
Inhibition of TAMRA-labelled WNK4 binding to recombinant rat C-terminal GST-fused SPAK (452 to 553 residues) expressed in Escherichia coli BL21 measu...

Bioorg Med Chem 25: 3845-3852 (2017)


Article DOI: 10.1016/j.bmc.2017.05.034
BindingDB Entry DOI: 10.7270/Q22Z1811
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Rattus norvegicus)		BDBM50267910
PNG
(CHEMBL4074261)
Show SMILES CCOc1ccc2nc3cc(NC(=O)c4ccc(F)cc4)ccc3c(N)c2c1
Show InChI InChI=1S/C22H18FN3O2/c1-2-28-16-8-10-19-18(12-16)21(24)17-9-7-15(11-20(17)26-19)25-22(27)13-3-5-14(23)6-4-13/h3-12H,2H2,1H3,(H2,24,26)(H,25,27)
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n/an/a 3.69E+4n/an/an/an/an/an/a



Institute of Biomaterials and Bioengineering, Tokyo Medical and Dental University (TMDU), 2-3-10 Kanda-Surugadai, Chiyodaku, Tokyo 101-0062, Japan.

Curated by ChEMBL


Assay Description
Inhibition of TAMRA-labelled WNK4 binding to recombinant rat C-terminal GST-fused SPAK (452 to 553 residues) expressed in Escherichia coli BL21 measu...

Bioorg Med Chem 25: 3845-3852 (2017)


Article DOI: 10.1016/j.bmc.2017.05.034
BindingDB Entry DOI: 10.7270/Q22Z1811
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Rattus norvegicus)		BDBM50267914
PNG
(CHEMBL4067097)
Show SMILES CCOc1ccc2nc3cc(NC(=O)c4ccc(Cl)cc4)ccc3c(N)c2c1
Show InChI InChI=1S/C22H18ClN3O2/c1-2-28-16-8-10-19-18(12-16)21(24)17-9-7-15(11-20(17)26-19)25-22(27)13-3-5-14(23)6-4-13/h3-12H,2H2,1H3,(H2,24,26)(H,25,27)
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n/an/a 4.90E+4n/an/an/an/an/an/a



Institute of Biomaterials and Bioengineering, Tokyo Medical and Dental University (TMDU), 2-3-10 Kanda-Surugadai, Chiyodaku, Tokyo 101-0062, Japan.

Curated by ChEMBL


Assay Description
Inhibition of TAMRA-labelled WNK4 binding to recombinant rat C-terminal GST-fused SPAK (452 to 553 residues) expressed in Escherichia coli BL21 measu...

Bioorg Med Chem 25: 3845-3852 (2017)


Article DOI: 10.1016/j.bmc.2017.05.034
BindingDB Entry DOI: 10.7270/Q22Z1811
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Rattus norvegicus)		BDBM50267912
PNG
(CHEMBL4069800)
Show SMILES CCOc1ccc2nc3cc(NCC4=CC=CCC4=S)ccc3c(N)c2c1 |c:15,t:13|
Show InChI InChI=1S/C22H21N3OS/c1-2-26-16-8-10-19-18(12-16)22(23)17-9-7-15(11-20(17)25-19)24-13-14-5-3-4-6-21(14)27/h3-5,7-12,24H,2,6,13H2,1H3,(H2,23,25)
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n/an/a 5.35E+4n/an/an/an/an/an/a



Institute of Biomaterials and Bioengineering, Tokyo Medical and Dental University (TMDU), 2-3-10 Kanda-Surugadai, Chiyodaku, Tokyo 101-0062, Japan.

Curated by ChEMBL


Assay Description
Inhibition of TAMRA-labelled WNK4 binding to recombinant rat C-terminal GST-fused SPAK (452 to 553 residues) expressed in Escherichia coli BL21 measu...

Bioorg Med Chem 25: 3845-3852 (2017)


Article DOI: 10.1016/j.bmc.2017.05.034
BindingDB Entry DOI: 10.7270/Q22Z1811
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Rattus norvegicus)		BDBM50267894
PNG
(CHEMBL4102505)
Show SMILES CCOc1ccc2nc3cc(NC(=O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F)ccc3c(N)c2c1
Show InChI InChI=1S/C24H17F6N3O2/c1-2-35-16-4-6-19-18(11-16)21(31)17-5-3-15(10-20(17)33-19)32-22(34)12-7-13(23(25,26)27)9-14(8-12)24(28,29)30/h3-11H,2H2,1H3,(H2,31,33)(H,32,34)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute of Biomaterials and Bioengineering, Tokyo Medical and Dental University (TMDU), 2-3-10 Kanda-Surugadai, Chiyodaku, Tokyo 101-0062, Japan.

Curated by ChEMBL


Assay Description
Inhibition of TAMRA-labelled WNK4 binding to recombinant rat C-terminal GST-fused SPAK (452 to 553 residues) expressed in Escherichia coli BL21 measu...

Bioorg Med Chem 25: 3845-3852 (2017)


Article DOI: 10.1016/j.bmc.2017.05.034
BindingDB Entry DOI: 10.7270/Q22Z1811
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%