BDBM50289945 3-(4-Bromo-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carboxylic acid benzo[1,3]dioxol-5-yl ester::CHEMBL292802

SMILES: Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2ccc3OCOc3c2)c1Br

InChI Key: InChIKey=JQBUPYPWHBIMNX-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 = 50289945   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
EDNRB (Homo sapiens (Human))	BDBM50289945 (3-(4-Bromo-3-methyl-isoxazol-5-ylsulfamoyl)-thioph...) Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2ccc3OCOc3c2)c1Br Show InChI InChI=1S/C16H11BrN2O7S2/c1-8-13(17)15(26-18-8)19-28(21,22)12-4-5-27-14(12)16(20)25-9-2-3-10-11(6-9)24-7-23-10/h2-6,19H,7H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	5.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity in a radioligand binding experiment by competition with [125I]-labeled endothelin-1 for ETB receptor				Bioorg Med Chem Lett 7: 2093-2098 (1997) Article DOI: 10.1016/S0960-894X(97)00367-3 BindingDB Entry DOI: 10.7270/Q2WH2PZF
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50289945 (3-(4-Bromo-3-methyl-isoxazol-5-ylsulfamoyl)-thioph...) Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2ccc3OCOc3c2)c1Br Show InChI InChI=1S/C16H11BrN2O7S2/c1-8-13(17)15(26-18-8)19-28(21,22)12-4-5-27-14(12)16(20)25-9-2-3-10-11(6-9)24-7-23-10/h2-6,19H,7H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity in a radioligand binding experiment by competition with [125I]-labeled endothelin-1 for ETA receptor				Bioorg Med Chem Lett 7: 2093-2098 (1997) Article DOI: 10.1016/S0960-894X(97)00367-3 BindingDB Entry DOI: 10.7270/Q2WH2PZF
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50289945 (3-(4-Bromo-3-methyl-isoxazol-5-ylsulfamoyl)-thioph...) Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2ccc3OCOc3c2)c1Br Show InChI InChI=1S/C16H11BrN2O7S2/c1-8-13(17)15(26-18-8)19-28(21,22)12-4-5-27-14(12)16(20)25-9-2-3-10-11(6-9)24-7-23-10/h2-6,19H,7H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50289945 (3-(4-Bromo-3-methyl-isoxazol-5-ylsulfamoyl)-thioph...) Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2ccc3OCOc3c2)c1Br Show InChI InChI=1S/C16H11BrN2O7S2/c1-8-13(17)15(26-18-8)19-28(21,22)12-4-5-27-14(12)16(20)25-9-2-3-10-11(6-9)24-7-23-10/h2-6,19H,7H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/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
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50289945 (3-(4-Bromo-3-methyl-isoxazol-5-ylsulfamoyl)-thioph...) Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2ccc3OCOc3c2)c1Br Show InChI InChI=1S/C16H11BrN2O7S2/c1-8-13(17)15(26-18-8)19-28(21,22)12-4-5-27-14(12)16(20)25-9-2-3-10-11(6-9)24-7-23-10/h2-6,19H,7H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/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