BDBM50057212 3,5-Bis-benzo[1,3]dioxol-5-yl-4-benzyl-5-hydroxy-5H-furan-2-one::CHEMBL417978

SMILES: OC1(OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1)c1ccc2OCOc2c1

InChI Key: InChIKey=XRNWLGYOIPZNLV-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 = 50057212   

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))	BDBM50057212 (3,5-Bis-benzo[1,3]dioxol-5-yl-4-benzyl-5-hydroxy-5...) Show SMILES OC1(OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1)c1ccc2OCOc2c1 |c:5| Show InChI InChI=1S/C25H18O7/c26-24-23(16-6-8-19-21(11-16)30-13-28-19)18(10-15-4-2-1-3-5-15)25(27,32-24)17-7-9-20-22(12-17)31-14-29-20/h1-9,11-12,27H,10,13-14H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	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))	BDBM50057212 (3,5-Bis-benzo[1,3]dioxol-5-yl-4-benzyl-5-hydroxy-5...) Show SMILES OC1(OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1)c1ccc2OCOc2c1 |c:5| Show InChI InChI=1S/C25H18O7/c26-24-23(16-6-8-19-21(11-16)30-13-28-19)18(10-15-4-2-1-3-5-15)25(27,32-24)17-7-9-20-22(12-17)31-14-29-20/h1-9,11-12,27H,10,13-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	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