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BDBM73211 1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea::1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-[1,1,1-tris(fluoranyl)-2-(trifluoromethyl)butan-2-yl]urea::1-[1,1-bis(trifluoromethyl)propyl]-3-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]urea::1-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea::MLS000038682::SMR000040744::cid_659754

SMILES: CCSc1nnc(NC(=O)NC(CC)(C(F)(F)F)C(F)(F)F)s1

InChI Key: InChIKey=XKAHKUXGIWVCPM-UHFFFAOYSA-N

Data: 1 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 73211   
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
G protein-activated inward rectifier potassium channel 1


(Rattus norvegicus)
BDBM73211
PNG
(1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-[1,1,1...)
Show SMILES CCSc1nnc(NC(=O)NC(CC)(C(F)(F)F)C(F)(F)F)s1
Show InChI InChI=1S/C10H12F6N4OS2/c1-3-8(9(11,12)13,10(14,15)16)18-5(21)17-6-19-20-7(23-6)22-4-2/h3-4H2,1-2H3,(H2,17,18,19,21)
PDB
MMDB

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PC cid
PC sid
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Similars

PCBioAssay
n/an/an/an/a 2.29E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affliation: Vanderbilt University Grant Title: Measurement of GPCR-mediated thallium flux through GI...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2WQ028B
More data for this
Ligand-Target Pair