BindingDB logo
myBDB logout

BDBM50098772 3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carboxylic acid (2,4,6-trimethyl-phenyl)-amide::CHEMBL277595

SMILES: Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(C)cc2C)c1Cl

InChI Key: InChIKey=VMRGBLIETYGKNV-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50098772   
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))
BDBM50098772
PNG
(3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiop...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(C)cc2C)c1Cl
Show InChI InChI=1S/C18H18ClN3O4S2/c1-9-7-10(2)15(11(3)8-9)20-17(23)16-13(5-6-27-16)28(24,25)22-18-14(19)12(4)21-26-18/h5-8,22H,1-4H3,(H,20,23)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 0.170n/an/an/an/an/an/a



Texas Biotechnology Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against selective Endothelin A receptor


J Med Chem 44: 1211-6 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BN4
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50098772
PNG
(3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiop...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(C)cc2C)c1Cl
Show InChI InChI=1S/C18H18ClN3O4S2/c1-9-7-10(2)15(11(3)8-9)20-17(23)16-13(5-6-27-16)28(24,25)22-18-14(19)12(4)21-26-18/h5-8,22H,1-4H3,(H,20,23)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 0.630n/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
EDNRA


(RAT)
BDBM50098772
PNG
(3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiop...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(C)cc2C)c1Cl
Show InChI InChI=1S/C18H18ClN3O4S2/c1-9-7-10(2)15(11(3)8-9)20-17(23)16-13(5-6-27-16)28(24,25)22-18-14(19)12(4)21-26-18/h5-8,22H,1-4H3,(H,20,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.150n/an/an/an/an/an/a



Encysive Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration towards endothelin A receptor in rat.


J Med Chem 47: 1969-86 (2004)


Article DOI: 10.1021/jm030528p
BindingDB Entry DOI: 10.7270/Q2HD7WD6
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50098772
PNG
(3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiop...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(C)cc2C)c1Cl
Show InChI InChI=1S/C18H18ClN3O4S2/c1-9-7-10(2)15(11(3)8-9)20-17(23)16-13(5-6-27-16)28(24,25)22-18-14(19)12(4)21-26-18/h5-8,22H,1-4H3,(H,20,23)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 630n/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
EDNRB


(Homo sapiens (Human))
BDBM50098772
PNG
(3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiop...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(C)cc2C)c1Cl
Show InChI InChI=1S/C18H18ClN3O4S2/c1-9-7-10(2)15(11(3)8-9)20-17(23)16-13(5-6-27-16)28(24,25)22-18-14(19)12(4)21-26-18/h5-8,22H,1-4H3,(H,20,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 8.27E+3n/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