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SMILES: Cc1cc(NC(=O)CSc2ccc(nn2)-c2ccc(F)cc2)no1

InChI Key: InChIKey=CTBXTABAKUKLBE-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 44116   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM44116
PNG
(2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(5-...)
Show SMILES Cc1cc(NC(=O)CSc2ccc(nn2)-c2ccc(F)cc2)no1
Show InChI InChI=1S/C16H13FN4O2S/c1-10-8-14(21-23-10)18-15(22)9-24-16-7-6-13(19-20-16)11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H,18,21,22)
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PC cid
PC sid
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n/an/an/an/a 171n/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))
BDBM44116
PNG
(2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(5-...)
Show SMILES Cc1cc(NC(=O)CSc2ccc(nn2)-c2ccc(F)cc2)no1
Show InChI InChI=1S/C16H13FN4O2S/c1-10-8-14(21-23-10)18-15(22)9-24-16-7-6-13(19-20-16)11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H,18,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 182n/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