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BDBM50532592 FANDOSENTAN::Fandosentan

SMILES: CCc1cc(cc2OCOc12)C1=C(N(c2ccccc2C(F)(F)F)S(=O)(=O)c2ccccc12)C(O)=O

InChI Key: InChIKey=YMGQBWRXNCAABF-UHFFFAOYSA-N

Data: 2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50532592   
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
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50532592
PNG
(FANDOSENTAN | Fandosentan)
Show SMILES CCc1cc(cc2OCOc12)C1=C(N(c2ccccc2C(F)(F)F)S(=O)(=O)c2ccccc12)C(O)=O
Show InChI InChI=1S/C25H18F3NO6S/c1-2-14-11-15(12-19-23(14)35-13-34-19)21-16-7-3-6-10-20(16)36(32,33)29(22(21)24(30)31)18-9-5-4-8-17(18)25(26,27)28/h3-12H,2,13H2,1H3,(H,30,31)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-ET-1 from human ETA receptor expressed in CHO cell membranes after 2 hrs by scintillation counting


Bioorg Med Chem Lett 26: 3381-94 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.014
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50532592
PNG
(FANDOSENTAN | Fandosentan)
Show SMILES CCc1cc(cc2OCOc12)C1=C(N(c2ccccc2C(F)(F)F)S(=O)(=O)c2ccccc12)C(O)=O
Show InChI InChI=1S/C25H18F3NO6S/c1-2-14-11-15(12-19-23(14)35-13-34-19)21-16-7-3-6-10-20(16)36(32,33)29(22(21)24(30)31)18-9-5-4-8-17(18)25(26,27)28/h3-12H,2,13H2,1H3,(H,30,31)
Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-ET-1 from human ETA receptor expressed in CHO cell membranes after 2 hrs by scintillation counting


Bioorg Med Chem Lett 26: 3381-94 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.014
More data for this
Ligand-Target Pair