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Compile Data Set for Download or QSAR

Found 17 hits of ic50 data for polymerid = 50004836   
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
Serine/threonine-protein kinase WNK1


(Homo sapiens (Human))
BDBM50258566
PNG
(CHEMBL4088706)
Show SMILES CNc1nc(cs1)-c1cc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c(Cl)cn1
Show InChI InChI=1S/C21H21Cl2N5OS/c1-24-21-26-19(13-30-21)18-10-16(17(23)11-25-18)20(29)28-8-6-27(7-9-28)12-14-2-4-15(22)5-3-14/h2-5,10-11,13H,6-9,12H2,1H3,(H,24,26)
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n/an/a 4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Allosteric inhibition of recombinant human N-terminal GST-tagged WNK1 catalytic domain (1 to 491 residues) expressed in baculovirus expression system...


J Med Chem 60: 7099-7107 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WNK1


(Homo sapiens (Human))
BDBM50258547
PNG
(CHEMBL4098876)
Show SMILES [2H]C([2H])([2H])Nc1nc(cs1)-c1cc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c(Cl)cn1
Show InChI InChI=1S/C21H21Cl2N5OS/c1-24-21-26-19(13-30-21)18-10-16(17(23)11-25-18)20(29)28-8-6-27(7-9-28)12-14-2-4-15(22)5-3-14/h2-5,10-11,13H,6-9,12H2,1H3,(H,24,26)/i1D3
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n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Allosteric inhibition of recombinant human N-terminal GST-tagged WNK1 catalytic domain (1 to 491 residues) expressed in baculovirus expression system...


J Med Chem 60: 7099-7107 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WNK1


(Homo sapiens (Human))
BDBM50258598
PNG
(CHEMBL4091128)
Show SMILES COc1cccc(c1)-c1cc(ccn1)-n1cc(CNCC2CCCCC2)c2ccc(F)cc12
Show InChI InChI=1S/C28H30FN3O/c1-33-25-9-5-8-21(14-25)27-16-24(12-13-31-27)32-19-22(26-11-10-23(29)15-28(26)32)18-30-17-20-6-3-2-4-7-20/h5,8-16,19-20,30H,2-4,6-7,17-18H2,1H3
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n/an/a 39n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Allosteric inhibition of recombinant human N-terminal GST-tagged WNK1 catalytic domain (1 to 491 residues) expressed in baculovirus expression system...


J Med Chem 60: 7099-7107 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase WNK1


(Homo sapiens (Human))
BDBM50258595
PNG
(CHEMBL4065531)
Show SMILES COc1cccc(c1)-c1cc(ccn1)-n1cc(CNCC2CCCCC2)c2ccccc12
Show InChI InChI=1S/C28H31N3O/c1-32-25-11-7-10-22(16-25)27-17-24(14-15-30-27)31-20-23(26-12-5-6-13-28(26)31)19-29-18-21-8-3-2-4-9-21/h5-7,10-17,20-21,29H,2-4,8-9,18-19H2,1H3
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n/an/a 60n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Allosteric inhibition of recombinant human N-terminal GST-tagged WNK1 catalytic domain (1 to 491 residues) expressed in baculovirus expression system...


J Med Chem 60: 7099-7107 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WNK1


(Homo sapiens (Human))
BDBM50258581
PNG
(CHEMBL4070177)
Show SMILES COc1cccc(c1)-c1cc(c(C)cn1)-n1cc(CNCC(C)C)c2ccccc12
Show InChI InChI=1S/C26H29N3O/c1-18(2)14-27-16-21-17-29(25-11-6-5-10-23(21)25)26-13-24(28-15-19(26)3)20-8-7-9-22(12-20)30-4/h5-13,15,17-18,27H,14,16H2,1-4H3
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n/an/a 95n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Allosteric inhibition of recombinant human N-terminal GST-tagged WNK1 catalytic domain (1 to 491 residues) expressed in baculovirus expression system...


J Med Chem 60: 7099-7107 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WNK1


(Homo sapiens (Human))
BDBM50258567
PNG
(CHEMBL4060478)
Show SMILES CNc1nc(cs1)-c1cc(ccn1)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C21H22ClN5OS/c1-23-21-25-19(14-29-21)18-12-16(6-7-24-18)20(28)27-10-8-26(9-11-27)13-15-2-4-17(22)5-3-15/h2-7,12,14H,8-11,13H2,1H3,(H,23,25)
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n/an/a 106n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Allosteric inhibition of recombinant human N-terminal GST-tagged WNK1 catalytic domain (1 to 491 residues) expressed in baculovirus expression system...


J Med Chem 60: 7099-7107 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WNK1


(Homo sapiens (Human))
BDBM50258546
PNG
(CHEMBL4087727)
Show SMILES COc1cccc(c1)-c1cccc(c1)-n1cc(CNCC2CCCCC2)c2ccccc12
Show InChI InChI=1S/C29H32N2O/c1-32-27-14-8-12-24(18-27)23-11-7-13-26(17-23)31-21-25(28-15-5-6-16-29(28)31)20-30-19-22-9-3-2-4-10-22/h5-8,11-18,21-22,30H,2-4,9-10,19-20H2,1H3
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n/an/a 162n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Allosteric inhibition of recombinant human N-terminal GST-tagged WNK1 catalytic domain (1 to 491 residues) expressed in baculovirus expression system...


J Med Chem 60: 7099-7107 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WNK1


(Homo sapiens (Human))
BDBM207990
PNG
((2-((4-Chlorobenzyl)oxy)phenyl)(5-(2-(methylamino)...)
Show SMILES CNc1nc(cs1)-c1ccc2N(CCc2c1)C(=O)c1ccccc1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C26H22ClN3O2S/c1-28-26-29-22(16-33-26)18-8-11-23-19(14-18)12-13-30(23)25(31)21-4-2-3-5-24(21)32-15-17-6-9-20(27)10-7-17/h2-11,14,16H,12-13,15H2,1H3,(H,28,29)
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n/an/a 420n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Allosteric inhibition of recombinant human N-terminal GST-tagged WNK1 catalytic domain (1 to 491 residues) expressed in baculovirus expression system...


J Med Chem 60: 7099-7107 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase WNK1


(Homo sapiens (Human))
BDBM50258599
PNG
(CHEMBL4070968)
Show SMILES COc1cccc(c1)-c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2n1
Show InChI InChI=1S/C28H27N3O2/c1-33-23-11-7-10-22(18-23)27-19-25(24-12-5-6-13-26(24)29-27)28(32)31-16-14-30(15-17-31)20-21-8-3-2-4-9-21/h2-13,18-19H,14-17,20H2,1H3
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n/an/a 623n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Allosteric inhibition of recombinant human N-terminal GST-tagged WNK1 catalytic domain (1 to 491 residues) expressed in baculovirus expression system...


J Med Chem 60: 7099-7107 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WNK1


(Homo sapiens (Human))
BDBM50258568
PNG
(CHEMBL4083340)
Show SMILES COc1cccc(c1)-c1cc(C(=O)N(C)[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)c2ccccc2n1
Show InChI InChI=1/C29H28ClN3O2/c1-32(23-14-15-33(19-23)18-20-10-12-22(30)13-11-20)29(34)26-17-28(21-6-5-7-24(16-21)35-2)31-27-9-4-3-8-25(26)27/h3-13,16-17,23H,14-15,18-19H2,1-2H3/t23-/s2
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n/an/a 750n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Allosteric inhibition of recombinant human N-terminal GST-tagged WNK1 catalytic domain (1 to 491 residues) expressed in baculovirus expression system...


J Med Chem 60: 7099-7107 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase WNK1


(Homo sapiens (Human))
BDBM50258597
PNG
(CHEMBL4061509)
Show SMILES COc1cccc(c1)-c1cc(ccn1)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C24H24ClN3O2/c1-30-22-4-2-3-19(15-22)23-16-20(9-10-26-23)24(29)28-13-11-27(12-14-28)17-18-5-7-21(25)8-6-18/h2-10,15-16H,11-14,17H2,1H3
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n/an/a 971n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Allosteric inhibition of recombinant human N-terminal GST-tagged WNK1 catalytic domain (1 to 491 residues) expressed in baculovirus expression system...


J Med Chem 60: 7099-7107 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WNK1


(Homo sapiens (Human))
BDBM50258596
PNG
(CHEMBL4091817)
Show SMILES C(NCc1cn(-c2cccc(c2)-c2ccccc2)c2ccccc12)C1CCCCC1
Show InChI InChI=1S/C28H30N2/c1-3-10-22(11-4-1)19-29-20-25-21-30(28-17-8-7-16-27(25)28)26-15-9-14-24(18-26)23-12-5-2-6-13-23/h2,5-9,12-18,21-22,29H,1,3-4,10-11,19-20H2
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n/an/a 2.14E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Allosteric inhibition of recombinant human N-terminal GST-tagged WNK1 catalytic domain (1 to 491 residues) expressed in baculovirus expression system...


J Med Chem 60: 7099-7107 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WNK1


(Homo sapiens (Human))
BDBM106870
PNG
(US8592455, 70)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F
Show InChI InChI=1/C24H23F3N4O/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26/h2-8,12-15H,9-11,28H2,1H3,(H,31,32)/t13-,14+,15-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNK1 (unknown origin)


J Med Chem 58: 8373-86 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WNK1


(Homo sapiens (Human))
BDBM50355393
PNG
(CHEMBL1834657 | US9434697, BGJ398 | US9730931, BGJ...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant WNK1


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WNK1


(Homo sapiens (Human))
BDBM50363167
PNG
(CHEMBL1945559)
Show SMILES Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12
Show InChI InChI=1/C17H16Cl2N4O/c1-23-14-9(2-3-11(18)13(14)19)12-10(8-20)17(4-6-21-7-5-17)22-16(24)15(12)23/h2-3,10,21H,4-7H2,1H3,(H,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ludwig-Maximilians University of Munich

Curated by ChEMBL


Assay Description
Inhibition of WNK1 using ATP as substrate


J Med Chem 55: 403-13 (2012)


Article DOI: 10.1021/jm201286z
BindingDB Entry DOI: 10.7270/Q20G3KK7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WNK1


(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 WNK1 using MBP 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
Serine/threonine-protein kinase WNK1


(Homo sapiens (Human))
BDBM50399676
PNG
(CHEMBL2178352 | US9096601, 8-26)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant WNK1 by radiometric kinase assay


J Med Chem 55: 10685-99 (2012)


Article DOI: 10.1021/jm301365e
BindingDB Entry DOI: 10.7270/Q2251KBV
More data for this
Ligand-Target Pair