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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 = 'BDBM44172'   
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))
BDBM44172
PNG
(3-(4-Fluoro-benzyl)-7-hydroxy-3H-[1,2,3]triazolo[4...)
Show SMILES Fc1ccc(Cn2nnc3c2nc([nH]c3=O)C(=O)NCc2cccs2)cc1
Show InChI InChI=1S/C17H13FN6O2S/c18-11-5-3-10(4-6-11)9-24-15-13(22-23-24)16(25)21-14(20-15)17(26)19-8-12-2-1-7-27-12/h1-7H,8-9H2,(H,19,26)(H,20,21,25)
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.11E+7n/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))
BDBM44172
PNG
(3-(4-Fluoro-benzyl)-7-hydroxy-3H-[1,2,3]triazolo[4...)
Show SMILES Fc1ccc(Cn2nnc3c2nc([nH]c3=O)C(=O)NCc2cccs2)cc1
Show InChI InChI=1S/C17H13FN6O2S/c18-11-5-3-10(4-6-11)9-24-15-13(22-23-24)16(25)21-14(20-15)17(26)19-8-12-2-1-7-27-12/h1-7H,8-9H2,(H,19,26)(H,20,21,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 9.90E+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