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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 = 'BDBM43961'   
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))
BDBM43961
PNG
(MLS000051858 | N-(2-cyanophenyl)-2-[(1-phenethylim...)
Show SMILES O=C(CSc1nccn1CCc1ccccc1)Nc1ccccc1C#N
Show InChI InChI=1S/C20H18N4OS/c21-14-17-8-4-5-9-18(17)23-19(25)15-26-20-22-11-13-24(20)12-10-16-6-2-1-3-7-16/h1-9,11,13H,10,12,15H2,(H,23,25)
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 3.24E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TX3CSC
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43961
PNG
(MLS000051858 | N-(2-cyanophenyl)-2-[(1-phenethylim...)
Show SMILES O=C(CSc1nccn1CCc1ccccc1)Nc1ccccc1C#N
Show InChI InChI=1S/C20H18N4OS/c21-14-17-8-4-5-9-18(17)23-19(25)15-26-20-22-11-13-24(20)12-10-16-6-2-1-3-7-16/h1-9,11,13H,10,12,15H2,(H,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.25E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2Q52N1X
More data for this
Ligand-Target Pair