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BDBM50291499 2-[2-(2,4-Dimethyl-phenyl)-ethyl]-thiophene-3-sulfonic acid (4-bromo-3-methyl-isoxazol-5-yl)-amide::CHEMBL175045

SMILES: Cc1noc(NS(=O)(=O)c2ccsc2CCc2ccc(C)cc2C)c1Br

InChI Key: InChIKey=JLFJTRSJCFZVGY-UHFFFAOYSA-N

Data: 2 IC50

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 = 50291499   
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
EDNRB


(Homo sapiens (Human))
BDBM50291499
PNG
(2-[2-(2,4-Dimethyl-phenyl)-ethyl]-thiophene-3-sulf...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2CCc2ccc(C)cc2C)c1Br
Show InChI InChI=1S/C18H19BrN2O3S2/c1-11-4-5-14(12(2)10-11)6-7-15-16(8-9-25-15)26(22,23)21-18-17(19)13(3)20-24-18/h4-5,8-10,21H,6-7H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 3.48E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Endothelin B receptor using I-ET-1 as radioligand in a competitive radioligand assay


Bioorg Med Chem Lett 7: 939-944 (1997)


Article DOI: 10.1016/S0960-894X(97)00133-9
BindingDB Entry DOI: 10.7270/Q2959HKC
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50291499
PNG
(2-[2-(2,4-Dimethyl-phenyl)-ethyl]-thiophene-3-sulf...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2CCc2ccc(C)cc2C)c1Br
Show InChI InChI=1S/C18H19BrN2O3S2/c1-11-4-5-14(12(2)10-11)6-7-15-16(8-9-25-15)26(22,23)21-18-17(19)13(3)20-24-18/h4-5,8-10,21H,6-7H2,1-3H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 55n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory of human Endothelin A receptor by using I-ET-1 as radioligand in a competitive radioligand assay


Bioorg Med Chem Lett 7: 939-944 (1997)


Article DOI: 10.1016/S0960-894X(97)00133-9
BindingDB Entry DOI: 10.7270/Q2959HKC
More data for this
Ligand-Target Pair