BDBM50070868 CHEMBL49675::Sodium; (Z)-2-benzo[1,2,5]thiadiazol-5-yl-4-(2,3-dihydro-benzofuran-5-yl)-4-oxo-3-(3,4,5-trimethoxy-benzyl)-but-2-enoate

SMILES: COc1cc(C\C(C(=O)c2ccc3OCCc3c2)=C(\C([O-])=O)c2ccc3nsnc3c2)cc(OC)c1OC

InChI Key: InChIKey=QDDAAKKJENZVTJ-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 = 50070868   

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)	BDBM50070868 (CHEMBL49675 | Sodium; (Z)-2-benzo[1,2,5]thiadiazol...) Show SMILES COc1cc(C\C(C(=O)c2ccc3OCCc3c2)=C(\C([O-])=O)c2ccc3nsnc3c2)cc(OC)c1OC Show InChI InChI=1S/C28H24N2O7S/c1-34-23-11-15(12-24(35-2)27(23)36-3)10-19(26(31)18-5-7-22-16(13-18)8-9-37-22)25(28(32)33)17-4-6-20-21(14-17)30-38-29-20/h4-7,11-14H,8-10H2,1-3H3,(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	28	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)	BDBM50070868 (CHEMBL49675 | Sodium; (Z)-2-benzo[1,2,5]thiadiazol...) Show SMILES COc1cc(C\C(C(=O)c2ccc3OCCc3c2)=C(\C([O-])=O)c2ccc3nsnc3c2)cc(OC)c1OC Show InChI InChI=1S/C28H24N2O7S/c1-34-23-11-15(12-24(35-2)27(23)36-3)10-19(26(31)18-5-7-22-16(13-18)8-9-37-22)25(28(32)33)17-4-6-20-21(14-17)30-38-29-20/h4-7,11-14H,8-10H2,1-3H3,(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	460	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