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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 = 'BDBM43913'   
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))
BDBM43913
PNG
(MLS000076090 | N-[2-(2-Fluoro-phenyl)-ethyl]-3-(mo...)
Show SMILES Fc1ccccc1CCNS(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H21FN2O5S2/c19-18-7-2-1-4-15(18)8-9-20-27(22,23)16-5-3-6-17(14-16)28(24,25)21-10-12-26-13-11-21/h1-7,14,20H,8-13H2
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PC cid
PC sid
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PCBioAssay
n/an/an/an/a 4.04E+6n/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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43913
PNG
(MLS000076090 | N-[2-(2-Fluoro-phenyl)-ethyl]-3-(mo...)
Show SMILES Fc1ccccc1CCNS(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H21FN2O5S2/c19-18-7-2-1-4-15(18)8-9-20-27(22,23)16-5-3-6-17(14-16)28(24,25)21-10-12-26-13-11-21/h1-7,14,20H,8-13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/an/an/a 1.65E+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