BDBM50070872 CHEMBL276362::Sodium; (Z)-2-benzo[1,2,5]thiadiazol-5-yl-4-(4-methoxy-phenyl)-4-oxo-3-(3,4,5-triisopropoxy-benzyl)-but-2-enoate

SMILES: COc1ccc(cc1)C(=O)C(\Cc1cc(OC(C)C)c(OC(C)C)c(OC(C)C)c1)=C(/C([O-])=O)c1ccc2nsnc2c1

InChI Key: InChIKey=OHFVFYLNMSFSGC-JVCXMKTPSA-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 = 50070872   

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)	BDBM50070872 (CHEMBL276362 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1cc(OC(C)C)c(OC(C)C)c(OC(C)C)c1)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C33H36N2O7S/c1-18(2)40-28-15-21(16-29(41-19(3)4)32(28)42-20(5)6)14-25(31(36)22-8-11-24(39-7)12-9-22)30(33(37)38)23-10-13-26-27(17-23)35-43-34-26/h8-13,15-20H,14H2,1-7H3,(H,37,38)/p-1/b30-25-	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	57	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)	BDBM50070872 (CHEMBL276362 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1cc(OC(C)C)c(OC(C)C)c(OC(C)C)c1)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C33H36N2O7S/c1-18(2)40-28-15-21(16-29(41-19(3)4)32(28)42-20(5)6)14-25(31(36)22-8-11-24(39-7)12-9-22)30(33(37)38)23-10-13-26-27(17-23)35-43-34-26/h8-13,15-20H,14H2,1-7H3,(H,37,38)/p-1/b30-25-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	220	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