BDBM50395633 CHEMBL2165332

SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)NCc2ccccc2)ncnc1OCCOc1ncc(Br)cn1

InChI Key InChIKey=BIHSQJMJRJBBHK-UHFFFAOYSA-N

Data  6 IC50

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50395633   

TargetEndothelin-1 receptor(Homo sapiens (Human))
Actelion Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50395633(CHEMBL2165332)
Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)NCc2ccccc2)ncnc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C24H23BrN6O4S/c1-17-7-9-19(10-8-17)21-22(31-36(32,33)30-13-18-5-3-2-4-6-18)28-16-29-23(21)34-11-12-35-24-26-14-20(25)15-27-24/h2-10,14-16,30H,11-13H2,1H3,(H,28,29,31)
Affinity DataIC50: 0.700nMAssay Description:Displacement of [I125]ET1 from recombinant ETA receptor expressed in CHO cells after 2 hrs by TopCount analysisMore data for this Ligand-Target Pair
TargetEndothelin receptor type B(Homo sapiens (Human))
Actelion Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50395633(CHEMBL2165332)
Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)NCc2ccccc2)ncnc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C24H23BrN6O4S/c1-17-7-9-19(10-8-17)21-22(31-36(32,33)30-13-18-5-3-2-4-6-18)28-16-29-23(21)34-11-12-35-24-26-14-20(25)15-27-24/h2-10,14-16,30H,11-13H2,1H3,(H,28,29,31)
Affinity DataIC50: 441nMAssay Description:Displacement of [I125]ET1 from recombinant ETB receptor expressed in CHO cells after 2 hrs by TopCount analysisMore data for this Ligand-Target Pair
TargetEndothelin-1 receptor(Homo sapiens (Human))
Actelion Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50395633(CHEMBL2165332)
Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)NCc2ccccc2)ncnc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C24H23BrN6O4S/c1-17-7-9-19(10-8-17)21-22(31-36(32,33)30-13-18-5-3-2-4-6-18)28-16-29-23(21)34-11-12-35-24-26-14-20(25)15-27-24/h2-10,14-16,30H,11-13H2,1H3,(H,28,29,31)
Affinity DataIC50: 0.700nMAssay Description:Antagonist activity at ETA receptor (unknown origin)More data for this Ligand-Target Pair
TargetEndothelin receptor type B(Homo sapiens (Human))
Actelion Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50395633(CHEMBL2165332)
Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)NCc2ccccc2)ncnc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C24H23BrN6O4S/c1-17-7-9-19(10-8-17)21-22(31-36(32,33)30-13-18-5-3-2-4-6-18)28-16-29-23(21)34-11-12-35-24-26-14-20(25)15-27-24/h2-10,14-16,30H,11-13H2,1H3,(H,28,29,31)
Affinity DataIC50: 441nMAssay Description:Antagonist activity at ETB receptor (unknown origin)More data for this Ligand-Target Pair
TargetEndothelin-1 receptor(Homo sapiens (Human))
Actelion Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50395633(CHEMBL2165332)
Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)NCc2ccccc2)ncnc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C24H23BrN6O4S/c1-17-7-9-19(10-8-17)21-22(31-36(32,33)30-13-18-5-3-2-4-6-18)28-16-29-23(21)34-11-12-35-24-26-14-20(25)15-27-24/h2-10,14-16,30H,11-13H2,1H3,(H,28,29,31)
Affinity DataIC50: 0.700nMAssay Description:Antagonist activity at ETA receptor (unknown origin)More data for this Ligand-Target Pair
TargetEndothelin receptor type B(Homo sapiens (Human))
Actelion Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50395633(CHEMBL2165332)
Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)NCc2ccccc2)ncnc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C24H23BrN6O4S/c1-17-7-9-19(10-8-17)21-22(31-36(32,33)30-13-18-5-3-2-4-6-18)28-16-29-23(21)34-11-12-35-24-26-14-20(25)15-27-24/h2-10,14-16,30H,11-13H2,1H3,(H,28,29,31)
Affinity DataIC50: 441nMAssay Description:Antagonist activity at ETB receptor (unknown origin)More data for this Ligand-Target Pair