Found 41 hits of ic50 for UniProtKB: Q9H4A3 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50258566
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research, Inc. , Cambridge, Massachusetts 02139-4133, United States.
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)
Article DOI: 10.1021/acs.jmedchem.7b00708
BindingDB Entry DOI: 10.7270/Q29W0HXP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50258547
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research, Inc. , Cambridge, Massachusetts 02139-4133, United States.
Curated by ChEMBL
| Assay Description
Allosteric inhibition of WNK1 (unknown origin) expressed in HEK293 cells co-expressing flag-OSR1 assessed as reduction in sorbitol-stimulated OSR1 ph... |
J Med Chem 60: 7099-7107 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00708
BindingDB Entry DOI: 10.7270/Q29W0HXP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50258598
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research, Inc. , Cambridge, Massachusetts 02139-4133, United States.
Curated by ChEMBL
| Assay Description
Allosteric inhibition of WNK1 (unknown origin) expressed in HEK293 cells co-expressing flag-OSR1 assessed as reduction in sorbitol-stimulated OSR1 ph... |
J Med Chem 60: 7099-7107 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00708
BindingDB Entry DOI: 10.7270/Q29W0HXP |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50258595
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research, Inc. , Cambridge, Massachusetts 02139-4133, United States.
Curated by ChEMBL
| Assay Description
Allosteric inhibition of WNK1 (unknown origin) expressed in HEK293 cells co-expressing flag-OSR1 assessed as reduction in sorbitol-stimulated OSR1 ph... |
J Med Chem 60: 7099-7107 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00708
BindingDB Entry DOI: 10.7270/Q29W0HXP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50258581
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research, Inc. , Cambridge, Massachusetts 02139-4133, United States.
Curated by ChEMBL
| Assay Description
Allosteric inhibition of WNK1 (unknown origin) expressed in HEK293 cells co-expressing flag-OSR1 assessed as reduction in sorbitol-stimulated OSR1 ph... |
J Med Chem 60: 7099-7107 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00708
BindingDB Entry DOI: 10.7270/Q29W0HXP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50258567
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 106 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research, Inc. , Cambridge, Massachusetts 02139-4133, United States.
Curated by ChEMBL
| Assay Description
Allosteric inhibition of WNK1 (unknown origin) expressed in HEK293 cells co-expressing flag-OSR1 assessed as reduction in sorbitol-stimulated OSR1 ph... |
J Med Chem 60: 7099-7107 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00708
BindingDB Entry DOI: 10.7270/Q29W0HXP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM207990
((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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00073
BindingDB Entry DOI: 10.7270/Q2028WJ8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50258546
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 162 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research, Inc. , Cambridge, Massachusetts 02139-4133, United States.
Curated by ChEMBL
| Assay Description
Allosteric inhibition of WNK1 (unknown origin) expressed in HEK293 cells co-expressing flag-OSR1 assessed as reduction in sorbitol-stimulated OSR1 ph... |
J Med Chem 60: 7099-7107 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00708
BindingDB Entry DOI: 10.7270/Q29W0HXP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM207990
((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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research, Inc. , Cambridge, Massachusetts 02139-4133, United States.
Curated by ChEMBL
| Assay Description
Allosteric inhibition of WNK1 (unknown origin) expressed in HEK293 cells co-expressing flag-OSR1 assessed as reduction in sorbitol-stimulated OSR1 ph... |
J Med Chem 60: 7099-7107 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00708
BindingDB Entry DOI: 10.7270/Q29W0HXP |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50258599
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 623 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research, Inc. , Cambridge, Massachusetts 02139-4133, United States.
Curated by ChEMBL
| Assay Description
Allosteric inhibition of WNK1 (unknown origin) expressed in HEK293 cells co-expressing flag-OSR1 assessed as reduction in sorbitol-stimulated OSR1 ph... |
J Med Chem 60: 7099-7107 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00708
BindingDB Entry DOI: 10.7270/Q29W0HXP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50258568
(CHEMBL4083340)Show SMILES COc1cccc(c1)-c1cc(C(=O)N(C)[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)c2ccccc2n1 |r| Show InChI InChI=1S/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-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research, Inc. , Cambridge, Massachusetts 02139-4133, United States.
Curated by ChEMBL
| Assay Description
Allosteric inhibition of WNK1 (unknown origin) expressed in HEK293 cells co-expressing flag-OSR1 assessed as reduction in sorbitol-stimulated OSR1 ph... |
J Med Chem 60: 7099-7107 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00708
BindingDB Entry DOI: 10.7270/Q29W0HXP |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50258597
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 971 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research, Inc. , Cambridge, Massachusetts 02139-4133, United States.
Curated by ChEMBL
| Assay Description
Allosteric inhibition of WNK1 (unknown origin) expressed in HEK293 cells co-expressing flag-OSR1 assessed as reduction in sorbitol-stimulated OSR1 ph... |
J Med Chem 60: 7099-7107 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00708
BindingDB Entry DOI: 10.7270/Q29W0HXP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50595744
(CHEMBL5178104)Show SMILES [O-][N+](=O)c1cc(ccc1NC1CCCCC1)S(=O)(=O)C(Cl)(Cl)Br | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00216
BindingDB Entry DOI: 10.7270/Q2G44V97 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50258596
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research, Inc. , Cambridge, Massachusetts 02139-4133, United States.
Curated by ChEMBL
| Assay Description
Allosteric inhibition of WNK1 (unknown origin) expressed in HEK293 cells co-expressing flag-OSR1 assessed as reduction in sorbitol-stimulated OSR1 ph... |
J Med Chem 60: 7099-7107 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00708
BindingDB Entry DOI: 10.7270/Q29W0HXP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50595744
(CHEMBL5178104)Show SMILES [O-][N+](=O)c1cc(ccc1NC1CCCCC1)S(=O)(=O)C(Cl)(Cl)Br | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00216
BindingDB Entry DOI: 10.7270/Q2G44V97 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50595744
(CHEMBL5178104)Show SMILES [O-][N+](=O)c1cc(ccc1NC1CCCCC1)S(=O)(=O)C(Cl)(Cl)Br | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00216
BindingDB Entry DOI: 10.7270/Q2G44V97 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50595750
(CHEMBL5184443)Show SMILES [O-][N+](=O)c1cc(ccc1NCc1ccco1)S(=O)(=O)C(Cl)(Cl)Br | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00216
BindingDB Entry DOI: 10.7270/Q2G44V97 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50595751
(CHEMBL5183064)Show SMILES [O-][N+](=O)c1cc(ccc1NCCCCc1ccccc1)S(=O)(=O)C(Cl)(Cl)Br | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00216
BindingDB Entry DOI: 10.7270/Q2G44V97 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50595752
(CHEMBL5186592)Show SMILES [O-][N+](=O)c1cc(ccc1NC1CCCC1)S(=O)(=O)C(Cl)(Cl)Br | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00216
BindingDB Entry DOI: 10.7270/Q2G44V97 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50595749
(CHEMBL5196892)Show SMILES [O-][N+](=O)c1cc(ccc1Nc1ccccc1)S(=O)(=O)C(Cl)(Cl)Br | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00216
BindingDB Entry DOI: 10.7270/Q2G44V97 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50355393
(BGJ398 | CHEMBL1834657 | US9434697, BGJ398 | US973...)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) | PDB
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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)) | BDBM50135286
(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) | PDB
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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)) | BDBM50519662
(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) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human WNK1 (1 to 491 residues) using myelin basic protein as substrate incubated for 40 mins in presence of [gamma33P]ATP b... |
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 | |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50399676
(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) | PDB
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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 | |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM106870
(US8592455, 70)Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)| Show InChI InChI=1S/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-/m0/s1 | PDB
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Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of WNK1 (unknown origin) |
J Med Chem 58: 8373-86 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01275
BindingDB Entry DOI: 10.7270/Q2H41VGN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50363167
(CHEMBL1945559)Show SMILES Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12 Show InChI InChI=1S/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) | PDB
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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)) | BDBM2579
((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 | PDB
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| n/a | n/a | 1.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibition of human WNK1 using MBP 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 | |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50595750
(CHEMBL5184443)Show SMILES [O-][N+](=O)c1cc(ccc1NCc1ccco1)S(=O)(=O)C(Cl)(Cl)Br | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00216
BindingDB Entry DOI: 10.7270/Q2G44V97 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM2579
((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 | PDB
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| n/a | n/a | 1.75E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human WNK1 using MBP 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 | |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50595749
(CHEMBL5196892)Show SMILES [O-][N+](=O)c1cc(ccc1Nc1ccccc1)S(=O)(=O)C(Cl)(Cl)Br | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00216
BindingDB Entry DOI: 10.7270/Q2G44V97 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50595751
(CHEMBL5183064)Show SMILES [O-][N+](=O)c1cc(ccc1NCCCCc1ccccc1)S(=O)(=O)C(Cl)(Cl)Br | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00216
BindingDB Entry DOI: 10.7270/Q2G44V97 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50595752
(CHEMBL5186592)Show SMILES [O-][N+](=O)c1cc(ccc1NC1CCCC1)S(=O)(=O)C(Cl)(Cl)Br | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00216
BindingDB Entry DOI: 10.7270/Q2G44V97 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50595756
(CHEMBL5184350)Show SMILES CS(=O)(=O)c1ccc(NC2CCCCC2)c(c1)[N+]([O-])=O | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00216
BindingDB Entry DOI: 10.7270/Q2G44V97 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50595747
(CHEMBL5178944)Show SMILES [O-][N+](=O)c1cc(ccc1NC1CCCCC1)S(=O)(=O)C(F)(F)F | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00216
BindingDB Entry DOI: 10.7270/Q2G44V97 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50595753
(CHEMBL5199090)Show SMILES CN1CCN(CC1)c1ccc(cc1[N+]([O-])=O)S(=O)(=O)C(Cl)(Cl)Br | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00216
BindingDB Entry DOI: 10.7270/Q2G44V97 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50595747
(CHEMBL5178944)Show SMILES [O-][N+](=O)c1cc(ccc1NC1CCCCC1)S(=O)(=O)C(F)(F)F | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00216
BindingDB Entry DOI: 10.7270/Q2G44V97 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50595746
(CHEMBL5194331) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00216
BindingDB Entry DOI: 10.7270/Q2G44V97 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50595745
(CHEMBL5170849)Show SMILES CCS(=O)(=O)c1ccc(NC2CCCCC2)c(c1)[N+]([O-])=O | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00216
BindingDB Entry DOI: 10.7270/Q2G44V97 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50595755
(CHEMBL5182658)Show SMILES [O-][N+](=O)c1cc(ccc1NC1CCCCC1)S(=O)(=O)C(Cl)(Cl)Cl | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00216
BindingDB Entry DOI: 10.7270/Q2G44V97 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50595754
(CHEMBL5184821) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00216
BindingDB Entry DOI: 10.7270/Q2G44V97 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase WNK1
(Homo sapiens (Human)) | BDBM50595748
(CHEMBL5175351)Show SMILES [O-][N+](=O)c1cc(ccc1NC1CCCCC1)S(=O)(=O)C(Cl)Cl | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00216
BindingDB Entry DOI: 10.7270/Q2G44V97 |
More data for this
Ligand-Target Pair | |
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