BDBM50057196 3-Benzo[1,3]dioxol-5-yl-4-ethyl-5-hydroxy-5-(4-methoxy-phenyl)-5H-furan-2-one::CHEMBL273951

SMILES: CCC1=C(C(=O)OC1(O)c1ccc(OC)cc1)c1ccc2OCOc2c1

InChI Key: InChIKey=ZIQBXJIFQHHELM-UHFFFAOYSA-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 = 50057196   

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
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50057196 (3-Benzo[1,3]dioxol-5-yl-4-ethyl-5-hydroxy-5-(4-met...) Show SMILES CCC1=C(C(=O)OC1(O)c1ccc(OC)cc1)c1ccc2OCOc2c1 |t:2| Show InChI InChI=1S/C20H18O6/c1-3-15-18(12-4-9-16-17(10-12)25-11-24-16)19(21)26-20(15,22)13-5-7-14(23-2)8-6-13/h4-10,22H,3,11H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against human cloned endothelin A receptor expressed in LTK-cells				J Med Chem 40: 1063-74 (1997) Article DOI: 10.1021/jm9606507 BindingDB Entry DOI: 10.7270/Q27P8XG5
					More data for this Ligand-Target Pair
EDNRB (Homo sapiens (Human))	BDBM50057196 (3-Benzo[1,3]dioxol-5-yl-4-ethyl-5-hydroxy-5-(4-met...) Show SMILES CCC1=C(C(=O)OC1(O)c1ccc(OC)cc1)c1ccc2OCOc2c1 |t:2| Show InChI InChI=1S/C20H18O6/c1-3-15-18(12-4-9-16-17(10-12)25-11-24-16)19(21)26-20(15,22)13-5-7-14(23-2)8-6-13/h4-10,22H,3,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 cells				J Med Chem 40: 1063-74 (1997) Article DOI: 10.1021/jm9606507 BindingDB Entry DOI: 10.7270/Q27P8XG5
					More data for this Ligand-Target Pair