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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Solute carrier family 12 member 5' and Ligand = 'BDBM43926'   
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))
BDBM43926
PNG
(2-[6-(4-Fluoro-phenyl)-pyridazin-3-ylsulfanyl]-1-(...)
Show SMILES CC1CCN(CC1)C(=O)CSc1ccc(nn1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H20FN3OS/c1-13-8-10-22(11-9-13)18(23)12-24-17-7-6-16(20-21-17)14-2-4-15(19)5-3-14/h2-7,13H,8-12H2,1H3
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PCBioAssay
n/an/an/an/a 2.66E+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))
BDBM43926
PNG
(2-[6-(4-Fluoro-phenyl)-pyridazin-3-ylsulfanyl]-1-(...)
Show SMILES CC1CCN(CC1)C(=O)CSc1ccc(nn1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H20FN3OS/c1-13-8-10-22(11-9-13)18(23)12-24-17-7-6-16(20-21-17)14-2-4-15(19)5-3-14/h2-7,13H,8-12H2,1H3
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n/an/an/an/a 4.35E+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/Q2M32T6M
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43926
PNG
(2-[6-(4-Fluoro-phenyl)-pyridazin-3-ylsulfanyl]-1-(...)
Show SMILES CC1CCN(CC1)C(=O)CSc1ccc(nn1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H20FN3OS/c1-13-8-10-22(11-9-13)18(23)12-24-17-7-6-16(20-21-17)14-2-4-15(19)5-3-14/h2-7,13H,8-12H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 3.08E+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/Q2Q52N1X
More data for this
Ligand-Target Pair