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BDBM43939 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone::2-[[1-(4-chlorophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone::2-[[1-(4-chlorophenyl)-5-tetrazolyl]thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone::2-[[1-(4-chlorophenyl)tetrazol-5-yl]thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone::MLS000058253::SMR000064893::cid_2610393

SMILES: Clc1ccc(cc1)-n1nnnc1SCC(=O)N1CCc2ccccc2C1

InChI Key: InChIKey=GDKVRVQEYQJEEM-UHFFFAOYSA-N

Data: 3 EC50

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 = 43939   
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
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43939
PNG
(2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(3,4...)
Show SMILES Clc1ccc(cc1)-n1nnnc1SCC(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C18H16ClN5OS/c19-15-5-7-16(8-6-15)24-18(20-21-22-24)26-12-17(25)23-10-9-13-3-1-2-4-14(13)11-23/h1-8H,9-12H2
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PC cid
PC sid
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Similars

PCBioAssay
n/an/an/an/a 4.09E+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
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43939
PNG
(2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(3,4...)
Show SMILES Clc1ccc(cc1)-n1nnnc1SCC(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C18H16ClN5OS/c19-15-5-7-16(8-6-15)24-18(20-21-22-24)26-12-17(25)23-10-9-13-3-1-2-4-14(13)11-23/h1-8H,9-12H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.42E+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
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43939
PNG
(2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(3,4...)
Show SMILES Clc1ccc(cc1)-n1nnnc1SCC(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C18H16ClN5OS/c19-15-5-7-16(8-6-15)24-18(20-21-22-24)26-12-17(25)23-10-9-13-3-1-2-4-14(13)11-23/h1-8H,9-12H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.26E+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