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BDBM64107 MLS001165687::SMR000466313::TORASEMIDE::TORSEMIDE::cid_41781

SMILES: CC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(C)c1

InChI Key: InChIKey=NGBFQHCMQULJNZ-UHFFFAOYSA-N

Data: 1 IC50  1 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 2 hits for monomerid = 64107   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bile salt export pump


(Homo sapiens (Human))
BDBM64107
PNG
(MLS001165687 | SMR000466313 | TORASEMIDE | TORSEMI...)
Show SMILES CC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(C)c1
Show InChI InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21)
PDB

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UniProtKB/SwissProt

antibodypedia
GoogleScholar
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DrugBank
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.31E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...


Drug Metab Dispos 40: 2332-41 (2012)


Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM64107
PNG
(MLS001165687 | SMR000466313 | TORASEMIDE | TORSEMI...)
Show SMILES CC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(C)c1
Show InChI InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21)
PDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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DrugBank
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>1.95E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair