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BDBM50431988 CHEMBL2348526

SMILES: COc1cc(Br)c(cc1OC)S(=O)(=O)Nc1ccc(c(OCCN2CCOCC2)c1)C(F)(F)F

InChI Key: InChIKey=ODXBMOBSHUFPEA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50431988   
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
Urotensin II receptor


(Homo sapiens (Human))
BDBM50431988
PNG
(CHEMBL2348526)
Show SMILES COc1cc(Br)c(cc1OC)S(=O)(=O)Nc1ccc(c(OCCN2CCOCC2)c1)C(F)(F)F
Show InChI InChI=1S/C21H24BrF3N2O6S/c1-30-18-12-16(22)20(13-19(18)31-2)34(28,29)26-14-3-4-15(21(23,24)25)17(11-14)33-10-7-27-5-8-32-9-6-27/h3-4,11-13,26H,5-10H2,1-2H3
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PC sid
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Article
PubMed
n/an/a 6.20E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]-U2 from human recombinant urotensin2 receptor expressed in human Chem-2 cells after 4 hrs by scintillation proximity assay


Bioorg Med Chem Lett 23: 2177-80 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.105
BindingDB Entry DOI: 10.7270/Q2XS5WSW
More data for this
Ligand-Target Pair