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BDBM50291478 2-p-Tolyloxymethyl-thiophene-3-sulfonic acid (4-bromo-3-methyl-isoxazol-5-yl)-amide::CHEMBL172538

SMILES: Cc1noc(NS(=O)(=O)c2ccsc2COc2ccc(C)cc2)c1Br

InChI Key: InChIKey=IEKGKMVSJIMMRX-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50291478   
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
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50291478
PNG
(2-p-Tolyloxymethyl-thiophene-3-sulfonic acid (4-br...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2COc2ccc(C)cc2)c1Br
Show InChI InChI=1S/C16H15BrN2O4S2/c1-10-3-5-12(6-4-10)22-9-13-14(7-8-24-13)25(20,21)19-16-15(17)11(2)18-23-16/h3-8,19H,9H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of I-ET-1 binding to human Endothelin A receptor


Bioorg Med Chem Lett 7: 933-938 (1997)


Article DOI: 10.1016/S0960-894X(97)00132-7
BindingDB Entry DOI: 10.7270/Q2DV1JWM
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50291478
PNG
(2-p-Tolyloxymethyl-thiophene-3-sulfonic acid (4-br...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2COc2ccc(C)cc2)c1Br
Show InChI InChI=1S/C16H15BrN2O4S2/c1-10-3-5-12(6-4-10)22-9-13-14(7-8-24-13)25(20,21)19-16-15(17)11(2)18-23-16/h3-8,19H,9H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 1.56E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of I-ET-1 binding to human Endothelin B receptor


Bioorg Med Chem Lett 7: 933-938 (1997)


Article DOI: 10.1016/S0960-894X(97)00132-7
BindingDB Entry DOI: 10.7270/Q2DV1JWM
More data for this
Ligand-Target Pair