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Compile Data Set for Download or QSAR

Found 103 hits with Last Name = 'ishigami-yuasa' and Initial = 'm'   
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


(Homo sapiens (Human))
BDBM50560445
PNG
(CHEMBL4792789)
Show SMILES Oc1cccc(C(=O)Nc2ccc(Oc3ccc4ccccc4c3Br)c(Cl)c2)c1O
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n/an/a 50n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SPAK (unknown origin) by ELISA


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127408
BindingDB Entry DOI: 10.7270/Q25D8WJ8
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Homo sapiens (Human))
BDBM50560439
PNG
(CHEMBL4762099)
Show SMILES Oc1ccc(cc1C(=O)Nc1ccc(Oc2ccc3ccccc3c2Br)c(Cl)c1)[N+]([O-])=O
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TBA

Assay Description
Inhibition of SPAK (unknown origin) by ELISA


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127408
BindingDB Entry DOI: 10.7270/Q25D8WJ8
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM35909
PNG
(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)
Show SMILES CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)
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n/an/a 180n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at wild type AR expressed in human SC cells assessed as inhibition of 1 nM DHT-induced cell proliferation after 3 days by WST-8 a...


Eur J Med Chem 102: 310-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.002
BindingDB Entry DOI: 10.7270/Q2348N6H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Homo sapiens (Human))
BDBM50123007
PNG
(CHEMBL3622589)
Show SMILES Clc1cccc(Cl)c1Cc1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C15H10Cl2N2O/c16-12-6-3-7-13(17)11(12)8-14-9-4-1-2-5-10(9)15(20)19-18-14/h1-7H,8H2,(H,19,20)
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Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at wild type AR expressed in human SC cells assessed as inhibition of 1 nM DHT-induced cell proliferation after 3 days by WST-8 a...


Eur J Med Chem 102: 310-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.002
BindingDB Entry DOI: 10.7270/Q2348N6H
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50122954
PNG
(CHEMBL3622579)
Show SMILES Nc1ccccc1Cc1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C15H13N3O/c16-13-8-4-1-5-10(13)9-14-11-6-2-3-7-12(11)15(19)18-17-14/h1-8H,9,16H2,(H,18,19)
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n/an/a 220n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at wild type AR expressed in human SC cells assessed as inhibition of 1 nM DHT-induced cell proliferation after 3 days by WST-8 a...


Eur J Med Chem 102: 310-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.002
BindingDB Entry DOI: 10.7270/Q2348N6H
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Homo sapiens (Human))
BDBM50560448
PNG
(CHEMBL4759888)
Show SMILES Oc1cccc(O)c1C(=O)Nc1ccc(Oc2ccc3ccccc3c2Br)c(Cl)c1
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TBA

Assay Description
Inhibition of SPAK (unknown origin) by ELISA


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127408
BindingDB Entry DOI: 10.7270/Q25D8WJ8
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Homo sapiens (Human))
BDBM50560415
PNG
(CHEMBL4797256)
Show SMILES Oc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Oc2ccc3ccccc3c2Br)c(Cl)c1
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TBA

Assay Description
Inhibition of SPAK (unknown origin) by ELISA


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127408
BindingDB Entry DOI: 10.7270/Q25D8WJ8
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50450199
PNG
(CHEMBL4173412)
Show SMILES COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)c(F)c1
Show InChI InChI=1S/C20H16FNO4/c1-25-17-4-2-3-13(11-17)20(24)22-14-5-10-19(18(21)12-14)26-16-8-6-15(23)7-9-16/h2-12,23H,1H3,(H,22,24)
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Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at AR in mouse SC3 cells assessed as inhibition of DHT-induced cell proliferation after 3 days by CCK8 assay


Bioorg Med Chem 26: 5118-5127 (2018)


Article DOI: 10.1016/j.bmc.2018.09.008
BindingDB Entry DOI: 10.7270/Q2P271PJ
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50450187
PNG
(CHEMBL4166357)
Show SMILES COc1cccc(c1)C(=O)Nc1cc(Cl)c(Oc2ccc(O)cc2)c(Cl)c1
Show InChI InChI=1S/C20H15Cl2NO4/c1-26-16-4-2-3-12(9-16)20(25)23-13-10-17(21)19(18(22)11-13)27-15-7-5-14(24)6-8-15/h2-11,24H,1H3,(H,23,25)
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Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at AR in mouse SC3 cells assessed as inhibition of DHT-induced cell proliferation after 3 days by CCK8 assay


Bioorg Med Chem 26: 5118-5127 (2018)


Article DOI: 10.1016/j.bmc.2018.09.008
BindingDB Entry DOI: 10.7270/Q2P271PJ
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50450200
PNG
(CHEMBL4161797)
Show SMILES COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)c(Cl)c1
Show InChI InChI=1S/C20H16ClNO4/c1-25-17-4-2-3-13(11-17)20(24)22-14-5-10-19(18(21)12-14)26-16-8-6-15(23)7-9-16/h2-12,23H,1H3,(H,22,24)
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Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at AR in mouse SC3 cells assessed as inhibition of DHT-induced cell proliferation after 3 days by CCK8 assay


Bioorg Med Chem 26: 5118-5127 (2018)


Article DOI: 10.1016/j.bmc.2018.09.008
BindingDB Entry DOI: 10.7270/Q2P271PJ
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50450205
PNG
(CHEMBL4174659)
Show SMILES COc1cccc(c1)C(=O)Nc1cc(F)c(Oc2ccc(O)cc2)c(F)c1
Show InChI InChI=1S/C20H15F2NO4/c1-26-16-4-2-3-12(9-16)20(25)23-13-10-17(21)19(18(22)11-13)27-15-7-5-14(24)6-8-15/h2-11,24H,1H3,(H,23,25)
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Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at AR in mouse SC3 cells assessed as inhibition of DHT-induced cell proliferation after 3 days by CCK8 assay


Bioorg Med Chem 26: 5118-5127 (2018)


Article DOI: 10.1016/j.bmc.2018.09.008
BindingDB Entry DOI: 10.7270/Q2P271PJ
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50450206
PNG
(CHEMBL4174266)
Show SMILES COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)c(F)c1F
Show InChI InChI=1S/C20H15F2NO4/c1-26-15-4-2-3-12(11-15)20(25)23-16-9-10-17(19(22)18(16)21)27-14-7-5-13(24)6-8-14/h2-11,24H,1H3,(H,23,25)
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n/an/a 530n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at AR in mouse SC3 cells assessed as inhibition of DHT-induced cell proliferation after 3 days by CCK8 assay


Bioorg Med Chem 26: 5118-5127 (2018)


Article DOI: 10.1016/j.bmc.2018.09.008
BindingDB Entry DOI: 10.7270/Q2P271PJ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50122953
PNG
(CHEMBL3622578)
Show SMILES [O-][N+](=O)c1ccccc1Cc1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C15H11N3O3/c19-15-12-7-3-2-6-11(12)13(16-17-15)9-10-5-1-4-8-14(10)18(20)21/h1-8H,9H2,(H,17,19)
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n/an/a 530n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at wild type AR expressed in human SC cells assessed as inhibition of 1 nM DHT-induced cell proliferation after 3 days by WST-8 a...


Eur J Med Chem 102: 310-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.002
BindingDB Entry DOI: 10.7270/Q2348N6H
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Homo sapiens (Human))
BDBM50560424
PNG
(CHEMBL4751500)
Show SMILES Oc1cc(O)cc(Oc2ccc(NC(=O)c3cc(Cl)cc(Cl)c3O)cc2Cl)c1
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TBA

Assay Description
Inhibition of SPAK (unknown origin) by ELISA


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127408
BindingDB Entry DOI: 10.7270/Q25D8WJ8
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50450203
PNG
(CHEMBL4162851)
Show SMILES COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)cc1F
Show InChI InChI=1S/C20H16FNO4/c1-25-16-4-2-3-13(11-16)20(24)22-19-10-9-17(12-18(19)21)26-15-7-5-14(23)6-8-15/h2-12,23H,1H3,(H,22,24)
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n/an/a 650n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at AR in mouse SC3 cells assessed as inhibition of DHT-induced cell proliferation after 3 days by CCK8 assay


Bioorg Med Chem 26: 5118-5127 (2018)


Article DOI: 10.1016/j.bmc.2018.09.008
BindingDB Entry DOI: 10.7270/Q2P271PJ
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50442124
PNG
(CHEMBL2441094)
Show SMILES COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)c(C)c1
Show InChI InChI=1S/C21H19NO4/c1-14-12-16(22-21(24)15-4-3-5-19(13-15)25-2)6-11-20(14)26-18-9-7-17(23)8-10-18/h3-13,23H,1-2H3,(H,22,24)
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n/an/a 750n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at AR in mouse SC3 cells assessed as inhibition of DHT-induced cell proliferation after 3 days by CCK8 assay


Bioorg Med Chem 26: 5118-5127 (2018)


Article DOI: 10.1016/j.bmc.2018.09.008
BindingDB Entry DOI: 10.7270/Q2P271PJ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50123010
PNG
(CHEMBL3622590)
Show SMILES Clc1ccc(Cl)c(Cc2n[nH]c(=O)c3ccccc23)c1Cl
Show InChI InChI=1S/C15H9Cl3N2O/c16-11-5-6-12(17)14(18)10(11)7-13-8-3-1-2-4-9(8)15(21)20-19-13/h1-6H,7H2,(H,20,21)
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n/an/a 920n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at wild type AR expressed in human SC cells assessed as inhibition of 1 nM DHT-induced cell proliferation after 3 days by WST-8 a...


Eur J Med Chem 102: 310-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.002
BindingDB Entry DOI: 10.7270/Q2348N6H
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Homo sapiens (Human))
BDBM50560420
PNG
(CHEMBL4759820)
Show SMILES Oc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Oc2cccc(c2)C(F)(F)F)c(Cl)c1
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n/an/a 1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SPAK (unknown origin) by ELISA


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127408
BindingDB Entry DOI: 10.7270/Q25D8WJ8
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50122957
PNG
(CHEMBL3622581)
Show SMILES FC(F)(F)C(=O)Nc1ccccc1Cc1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C17H12F3N3O2/c18-17(19,20)16(25)21-13-8-4-1-5-10(13)9-14-11-6-2-3-7-12(11)15(24)23-22-14/h1-8H,9H2,(H,21,25)(H,23,24)
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n/an/a 1.01E+3n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at wild type AR expressed in human SC cells assessed as inhibition of 1 nM DHT-induced cell proliferation after 3 days by WST-8 a...


Eur J Med Chem 102: 310-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.002
BindingDB Entry DOI: 10.7270/Q2348N6H
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Homo sapiens (Human))
BDBM50560419
PNG
(CHEMBL4753158)
Show SMILES Oc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)c(Cl)c1
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n/an/a 1.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SPAK (unknown origin) by ELISA


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127408
BindingDB Entry DOI: 10.7270/Q25D8WJ8
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50183678
PNG
(4-(2-chlorobenzyl)phthalazin-1(2H)-one | CHEMBL378...)
Show SMILES Clc1ccccc1Cc1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C15H11ClN2O/c16-13-8-4-1-5-10(13)9-14-11-6-2-3-7-12(11)15(19)18-17-14/h1-8H,9H2,(H,18,19)
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n/an/a 1.26E+3n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at wild type AR expressed in human SC cells assessed as inhibition of 1 nM DHT-induced cell proliferation after 3 days by WST-8 a...


Eur J Med Chem 102: 310-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.002
BindingDB Entry DOI: 10.7270/Q2348N6H
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50122962
PNG
(CHEMBL3622587)
Show SMILES Cc1cccc(C)c1Cc1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C17H16N2O/c1-11-6-5-7-12(2)15(11)10-16-13-8-3-4-9-14(13)17(20)19-18-16/h3-9H,10H2,1-2H3,(H,19,20)
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n/an/a 1.38E+3n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at wild type AR expressed in human SC cells assessed as inhibition of 1 nM DHT-induced cell proliferation after 3 days by WST-8 a...


Eur J Med Chem 102: 310-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.002
BindingDB Entry DOI: 10.7270/Q2348N6H
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Homo sapiens (Human))
BDBM50560417
PNG
(CHEMBL4750439)
Show SMILES Oc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)c(Cl)c1
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n/an/a 1.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SPAK (unknown origin) by ELISA


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127408
BindingDB Entry DOI: 10.7270/Q25D8WJ8
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Homo sapiens (Human))
BDBM50560428
PNG
(CHEMBL4783530)
Show SMILES Oc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1Cl
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n/an/a 1.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SPAK (unknown origin) by ELISA


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127408
BindingDB Entry DOI: 10.7270/Q25D8WJ8
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Homo sapiens (Human))
BDBM50560430
PNG
(CHEMBL4758154)
Show SMILES Oc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Oc2ccccc2)c(Br)c1
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n/an/a 1.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SPAK (unknown origin) by ELISA


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127408
BindingDB Entry DOI: 10.7270/Q25D8WJ8
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50122958
PNG
(CHEMBL3622583)
Show SMILES CCN(CC)c1ccccc1Cc1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C19H21N3O/c1-3-22(4-2)18-12-8-5-9-14(18)13-17-15-10-6-7-11-16(15)19(23)21-20-17/h5-12H,3-4,13H2,1-2H3,(H,21,23)
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n/an/a 1.66E+3n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at wild type AR expressed in human SC cells assessed as inhibition of 1 nM DHT-induced cell proliferation after 3 days by WST-8 a...


Eur J Med Chem 102: 310-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.002
BindingDB Entry DOI: 10.7270/Q2348N6H
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50450186
PNG
(CHEMBL4167449)
Show SMILES COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)cc1Cl
Show InChI InChI=1S/C20H16ClNO4/c1-25-16-4-2-3-13(11-16)20(24)22-19-10-9-17(12-18(19)21)26-15-7-5-14(23)6-8-15/h2-12,23H,1H3,(H,22,24)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at AR in mouse SC3 cells assessed as inhibition of DHT-induced cell proliferation after 3 days by CCK8 assay


Bioorg Med Chem 26: 5118-5127 (2018)


Article DOI: 10.1016/j.bmc.2018.09.008
BindingDB Entry DOI: 10.7270/Q2P271PJ
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Homo sapiens (Human))
BDBM50560429
PNG
(CHEMBL4747390)
Show SMILES Oc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(Cl)c(Oc2ccccc2)c(Cl)c1
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n/an/a 1.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SPAK (unknown origin) by ELISA


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127408
BindingDB Entry DOI: 10.7270/Q25D8WJ8
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50122960
PNG
(CHEMBL3622585)
Show SMILES CN(C)c1ccccc1Cc1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C17H17N3O/c1-20(2)16-10-6-3-7-12(16)11-15-13-8-4-5-9-14(13)17(21)19-18-15/h3-10H,11H2,1-2H3,(H,19,21)
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n/an/a 1.95E+3n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at wild type AR expressed in human SC cells assessed as inhibition of 1 nM DHT-induced cell proliferation after 3 days by WST-8 a...


Eur J Med Chem 102: 310-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.002
BindingDB Entry DOI: 10.7270/Q2348N6H
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Homo sapiens (Human))
BDBM50560421
PNG
(CHEMBL4793138)
Show SMILES Oc1ccccc1Oc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2O)cc1Cl
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n/an/a 2.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SPAK (unknown origin) by ELISA


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127408
BindingDB Entry DOI: 10.7270/Q25D8WJ8
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Homo sapiens (Human))
BDBM50560437
PNG
(CHEMBL4748104)
Show SMILES Oc1ccc(cc1)C(=O)Nc1ccc(Oc2ccc3ccccc3c2Br)c(Cl)c1
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n/an/a 2.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SPAK (unknown origin) by ELISA


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127408
BindingDB Entry DOI: 10.7270/Q25D8WJ8
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Homo sapiens (Human))
BDBM50560433
PNG
(CHEMBL4744527)
Show SMILES Oc1cc(Oc2ccccc2)ccc1NC(=O)c1cc(Cl)cc(Cl)c1O
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n/an/a 2.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SPAK (unknown origin) by ELISA


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127408
BindingDB Entry DOI: 10.7270/Q25D8WJ8
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Homo sapiens (Human))
BDBM50560438
PNG
(CHEMBL4795291)
Show SMILES Oc1cc(ccc1C(=O)Nc1ccc(Oc2ccc3ccccc3c2Br)c(Cl)c1)C(F)(F)F
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n/an/a 2.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SPAK (unknown origin) by ELISA


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127408
BindingDB Entry DOI: 10.7270/Q25D8WJ8
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Homo sapiens (Human))
BDBM50560432
PNG
(CHEMBL4757952)
Show SMILES Oc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Oc2ccccc2)c(c1)C(F)(F)F
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n/an/a 2.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SPAK (unknown origin) by ELISA


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127408
BindingDB Entry DOI: 10.7270/Q25D8WJ8
More data for this
Ligand-Target Pair
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


(Homo sapiens (Human))
BDBM50560418
PNG
(CHEMBL4748683)
Show SMILES Oc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Oc2cc(Cl)cc(Cl)c2)c(Cl)c1
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n/an/a 2.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SPAK (unknown origin) by ELISA


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127408
BindingDB Entry DOI: 10.7270/Q25D8WJ8
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Homo sapiens (Human))
BDBM50560426
PNG
(CHEMBL4757062)
Show SMILES Oc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Oc2ccc3CCCCc3c2)c(Cl)c1
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n/an/a 2.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SPAK (unknown origin) by ELISA


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127408
BindingDB Entry DOI: 10.7270/Q25D8WJ8
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50450202
PNG
(CHEMBL4171945)
Show SMILES COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)cc1C
Show InChI InChI=1S/C21H19NO4/c1-14-12-19(26-17-8-6-16(23)7-9-17)10-11-20(14)22-21(24)15-4-3-5-18(13-15)25-2/h3-13,23H,1-2H3,(H,22,24)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at AR in mouse SC3 cells assessed as inhibition of DHT-induced cell proliferation after 3 days by CCK8 assay


Bioorg Med Chem 26: 5118-5127 (2018)


Article DOI: 10.1016/j.bmc.2018.09.008
BindingDB Entry DOI: 10.7270/Q2P271PJ
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Homo sapiens (Human))
BDBM50560444
PNG
(CHEMBL4796271)
Show SMILES COc1cccc(OC)c1C(=O)Nc1ccc(Oc2ccc3ccccc3c2Br)c(Cl)c1
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n/an/a 3.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SPAK (unknown origin) by ELISA


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127408
BindingDB Entry DOI: 10.7270/Q25D8WJ8
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50450189
PNG
(CHEMBL4167057)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ccc(Oc2cccc(O)c2)cc1
Show InChI InChI=1S/C21H20N2O3/c1-23(2)17-10-6-15(7-11-17)21(25)22-16-8-12-19(13-9-16)26-20-5-3-4-18(24)14-20/h3-14,24H,1-2H3,(H,22,25)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at AR in mouse SC3 cells assessed as inhibition of DHT-induced cell proliferation after 3 days by CCK8 assay


Bioorg Med Chem 26: 5118-5127 (2018)


Article DOI: 10.1016/j.bmc.2018.09.008
BindingDB Entry DOI: 10.7270/Q2P271PJ
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50450204
PNG
(CHEMBL4159542)
Show SMILES COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)cc1OC
Show InChI InChI=1S/C21H19NO5/c1-25-17-5-3-4-14(12-17)21(24)22-19-11-10-18(13-20(19)26-2)27-16-8-6-15(23)7-9-16/h3-13,23H,1-2H3,(H,22,24)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at AR in mouse SC3 cells assessed as inhibition of DHT-induced cell proliferation after 3 days by CCK8 assay


Bioorg Med Chem 26: 5118-5127 (2018)


Article DOI: 10.1016/j.bmc.2018.09.008
BindingDB Entry DOI: 10.7270/Q2P271PJ
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Homo sapiens (Human))
BDBM50560422
PNG
(CHEMBL4762871)
Show SMILES Oc1cccc(Oc2ccc(NC(=O)c3cc(Cl)cc(Cl)c3O)cc2Cl)c1
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n/an/a 3.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SPAK (unknown origin) by ELISA


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127408
BindingDB Entry DOI: 10.7270/Q25D8WJ8
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50122952
PNG
(CHEMBL3622576)
Show SMILES FC(F)(F)c1ccccc1Cc1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C16H11F3N2O/c17-16(18,19)13-8-4-1-5-10(13)9-14-11-6-2-3-7-12(11)15(22)21-20-14/h1-8H,9H2,(H,21,22)
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n/an/a 3.67E+3n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at wild type AR expressed in human SC cells assessed as inhibition of 1 nM DHT-induced cell proliferation after 3 days by WST-8 a...


Eur J Med Chem 102: 310-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.002
BindingDB Entry DOI: 10.7270/Q2348N6H
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50122959
PNG
(CHEMBL3622584)
Show SMILES CCNc1ccccc1Cc1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C17H17N3O/c1-2-18-15-10-6-3-7-12(15)11-16-13-8-4-5-9-14(13)17(21)20-19-16/h3-10,18H,2,11H2,1H3,(H,20,21)
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n/an/a 3.71E+3n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at wild type AR expressed in human SC cells assessed as inhibition of 1 nM DHT-induced cell proliferation after 3 days by WST-8 a...


Eur J Med Chem 102: 310-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.002
BindingDB Entry DOI: 10.7270/Q2348N6H
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50123006
PNG
(CHEMBL3622588)
Show SMILES Fc1cccc(F)c1Cc1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C15H10F2N2O/c16-12-6-3-7-13(17)11(12)8-14-9-4-1-2-5-10(9)15(20)19-18-14/h1-7H,8H2,(H,19,20)
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n/an/a 3.76E+3n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at wild type AR expressed in human SC cells assessed as inhibition of 1 nM DHT-induced cell proliferation after 3 days by WST-8 a...


Eur J Med Chem 102: 310-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.002
BindingDB Entry DOI: 10.7270/Q2348N6H
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
Androgen receptor


(Mus musculus)
BDBM50450201
PNG
(CHEMBL4165227)
Show SMILES COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H16F3NO4/c1-28-17-4-2-3-13(11-17)20(27)25-14-5-10-19(18(12-14)21(22,23)24)29-16-8-6-15(26)7-9-16/h2-12,26H,1H3,(H,25,27)
PDB
MMDB

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PC sid
UniChem
Article
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at AR in mouse SC3 cells assessed as inhibition of DHT-induced cell proliferation after 3 days by CCK8 assay


Bioorg Med Chem 26: 5118-5127 (2018)


Article DOI: 10.1016/j.bmc.2018.09.008
BindingDB Entry DOI: 10.7270/Q2P271PJ
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Homo sapiens (Human))
BDBM50560440
PNG
(CHEMBL4783506)
Show SMILES Cc1ccc(cc1O)C(=O)Nc1ccc(Oc2ccc3ccccc3c2Br)c(Cl)c1
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n/an/a 4.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SPAK (unknown origin) by ELISA


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127408
BindingDB Entry DOI: 10.7270/Q25D8WJ8
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Homo sapiens (Human))
BDBM50350105
PNG
(CHEMBL1814047)
Show SMILES Oc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Oc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C19H12Cl3NO3/c20-11-8-14(18(24)16(22)9-11)19(25)23-12-6-7-17(15(21)10-12)26-13-4-2-1-3-5-13/h1-10,24H,(H,23,25)
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Similars

Article
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SPAK (unknown origin) by ELISA


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127408
BindingDB Entry DOI: 10.7270/Q25D8WJ8
More data for this
Ligand-Target Pair
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