BDBM50070881 CHEMBL295483::Sodium; (Z)-2-benzo[1,2,5]thiadiazol-5-yl-4-(4-methoxy-3-methyl-phenyl)-4-oxo-3-(3,4,5-trimethoxy-benzyl)-but-2-enoate

SMILES: COc1ccc(cc1C)C(=O)C(\Cc1cc(OC)c(OC)c(OC)c1)=C(/C([O-])=O)c1ccc2nsnc2c1

InChI Key: InChIKey=VPKUTWDKTKEOSB-PLRJNAJWSA-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 = 50070881   

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)	BDBM50070881 (CHEMBL295483 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...) Show SMILES COc1ccc(cc1C)C(=O)C(\Cc1cc(OC)c(OC)c(OC)c1)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C28H26N2O7S/c1-15-10-18(7-9-22(15)34-2)26(31)19(11-16-12-23(35-3)27(37-5)24(13-16)36-4)25(28(32)33)17-6-8-20-21(14-17)30-38-29-20/h6-10,12-14H,11H2,1-5H3,(H,32,33)/p-1/b25-19-	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	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)	BDBM50070881 (CHEMBL295483 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...) Show SMILES COc1ccc(cc1C)C(=O)C(\Cc1cc(OC)c(OC)c(OC)c1)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C28H26N2O7S/c1-15-10-18(7-9-22(15)34-2)26(31)19(11-16-12-23(35-3)27(37-5)24(13-16)36-4)25(28(32)33)17-6-8-20-21(14-17)30-38-29-20/h6-10,12-14H,11H2,1-5H3,(H,32,33)/p-1/b25-19-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	260	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