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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Solute carrier family 12 member 5' and Ligand = 'BDBM50387289'   
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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM50387289
PNG
(CHEMBL2048854)
Show SMILES CCC(Sc1ccc(nn1)-c1ccccc1)C(=O)N(C1CC1)c1nc(C)cs1
Show InChI InChI=1S/C21H22N4OS2/c1-3-18(20(26)25(16-9-10-16)21-22-14(2)13-27-21)28-19-12-11-17(23-24-19)15-7-5-4-6-8-15/h4-8,11-13,16,18H,3,9-10H2,1-2H3
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PC cid
PC sid
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Article
PubMed
n/an/a 756n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at KCC2 expressed in human HEK293 cells assessed as decrease in Tl-stimulated fluorescence increase after 8 mins by fluorescence ...


Bioorg Med Chem Lett 22: 4532-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.126
BindingDB Entry DOI: 10.7270/Q26T0NQ1
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM50387289
PNG
(CHEMBL2048854)
Show SMILES CCC(Sc1ccc(nn1)-c1ccccc1)C(=O)N(C1CC1)c1nc(C)cs1
Show InChI InChI=1S/C21H22N4OS2/c1-3-18(20(26)25(16-9-10-16)21-22-14(2)13-27-21)28-19-12-11-17(23-24-19)15-7-5-4-6-8-15/h4-8,11-13,16,18H,3,9-10H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 756n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at KCC2 expressed in human HEK293 cells assessed as decrease in Tl-stimulated fluorescence increase after 8 mins by fluorescence ...


Bioorg Med Chem Lett 22: 4532-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.126
BindingDB Entry DOI: 10.7270/Q26T0NQ1
More data for this
Ligand-Target Pair