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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase WNK1' and Ligand = 'BDBM50258581'   
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))
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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MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 95n/an/an/an/an/an/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
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.39E+3n/an/an/an/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