BDBM50070890 CHEMBL51890::Sodium; (Z)-2-benzo[1,2,5]thiadiazol-5-yl-3-(3-methoxy-benzyl)-4-(4-methoxy-phenyl)-4-oxo-but-2-enoate

SMILES: COc1ccc(cc1)C(=O)C(\Cc1cccc(OC)c1)=C(/C([O-])=O)c1ccc2nsnc2c1

InChI Key: InChIKey=NYLPOSGITCOOBC-ATJXCDBQSA-M

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 = 50070890   

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
EDNRA (RAT)	BDBM50070890 (CHEMBL51890 | Sodium; (Z)-2-benzo[1,2,5]thiadiazol...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1cccc(OC)c1)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C25H20N2O5S/c1-31-18-9-6-16(7-10-18)24(28)20(13-15-4-3-5-19(12-15)32-2)23(25(29)30)17-8-11-21-22(14-17)27-33-26-21/h3-12,14H,13H2,1-2H3,(H,29,30)/p-1/b23-20-	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin receptor ET-B (Sus scrofa)	BDBM50070890 (CHEMBL51890 | Sodium; (Z)-2-benzo[1,2,5]thiadiazol...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1cccc(OC)c1)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C25H20N2O5S/c1-31-18-9-6-16(7-10-18)24(28)20(13-15-4-3-5-19(12-15)32-2)23(25(29)30)17-8-11-21-22(14-17)27-33-26-21/h3-12,14H,13H2,1-2H3,(H,29,30)/p-1/b23-20-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to porcine kidney (inner medulla) membranes Endothelin B receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair