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SMILES: Fc1ccc(cc1)-c1nnc(SCC(=O)N2CCN(CC2)C(=O)c2ccco2)o1

InChI Key: InChIKey=WHYQNPZEPIOWEF-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 43924   
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))
BDBM43924
PNG
(2-[5-(4-Fluoro-phenyl)-[1,3,4]oxadiazol-2-ylsulfan...)
Show SMILES Fc1ccc(cc1)-c1nnc(SCC(=O)N2CCN(CC2)C(=O)c2ccco2)o1
Show InChI InChI=1S/C19H17FN4O4S/c20-14-5-3-13(4-6-14)17-21-22-19(28-17)29-12-16(25)23-7-9-24(10-8-23)18(26)15-2-1-11-27-15/h1-6,11H,7-10,12H2
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 7.01E+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))
BDBM43924
PNG
(2-[5-(4-Fluoro-phenyl)-[1,3,4]oxadiazol-2-ylsulfan...)
Show SMILES Fc1ccc(cc1)-c1nnc(SCC(=O)N2CCN(CC2)C(=O)c2ccco2)o1
Show InChI InChI=1S/C19H17FN4O4S/c20-14-5-3-13(4-6-14)17-21-22-19(28-17)29-12-16(25)23-7-9-24(10-8-23)18(26)15-2-1-11-27-15/h1-6,11H,7-10,12H2
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 5.32E+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))
BDBM43924
PNG
(2-[5-(4-Fluoro-phenyl)-[1,3,4]oxadiazol-2-ylsulfan...)
Show SMILES Fc1ccc(cc1)-c1nnc(SCC(=O)N2CCN(CC2)C(=O)c2ccco2)o1
Show InChI InChI=1S/C19H17FN4O4S/c20-14-5-3-13(4-6-14)17-21-22-19(28-17)29-12-16(25)23-7-9-24(10-8-23)18(26)15-2-1-11-27-15/h1-6,11H,7-10,12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.77E+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