BDBM50291498 3-{2-[6-(Tetrahydro-pyran-4-yloxymethyl)-benzo[1,3]dioxol-5-yl]-vinyl}-thiophene-2-sulfonic acid (4-bromo-3-methyl-isoxazol-5-yl)-amide::CHEMBL176675

SMILES: Cc1noc(NS(=O)(=O)c2sccc2\C=C\c2cc3OCOc3cc2COC2CCOCC2)c1Br

InChI Key: InChIKey=MLYKYTSBWJXONL-NSCUHMNNSA-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 = 50291498   

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))	BDBM50291498 (3-{2-[6-(Tetrahydro-pyran-4-yloxymethyl)-benzo[1,3...) Show SMILES Cc1noc(NS(=O)(=O)c2sccc2\C=C\c2cc3OCOc3cc2COC2CCOCC2)c1Br Show InChI InChI=1S/C23H23BrN2O7S2/c1-14-21(24)22(33-25-14)26-35(27,28)23-15(6-9-34-23)2-3-16-10-19-20(32-13-31-19)11-17(16)12-30-18-4-7-29-8-5-18/h2-3,6,9-11,18,26H,4-5,7-8,12-13H2,1H3/b3-2+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.14E+3	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50291498 (3-{2-[6-(Tetrahydro-pyran-4-yloxymethyl)-benzo[1,3...) Show SMILES Cc1noc(NS(=O)(=O)c2sccc2\C=C\c2cc3OCOc3cc2COC2CCOCC2)c1Br Show InChI InChI=1S/C23H23BrN2O7S2/c1-14-21(24)22(33-25-14)26-35(27,28)23-15(6-9-34-23)2-3-16-10-19-20(32-13-31-19)11-17(16)12-30-18-4-7-29-8-5-18/h2-3,6,9-11,18,26H,4-5,7-8,12-13H2,1H3/b3-2+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	73	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