BDBM50304498 3-Benzo[1,3]dioxol-5-yl-5-[4-(2-fluoroethoxy)phenyl]-5-hydroxy-4-(3,4,5-trimethoxybenzyl)-5H-furan-2-one::CHEMBL604286

SMILES: COc1cc(CC2=C(C(=O)OC2(O)c2ccc(OCCF)cc2)c2ccc3OCOc3c2)cc(OC)c1OC

InChI Key: InChIKey=UOCWQSCYEUUPBJ-UHFFFAOYSA-N

Data: 2 KI

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 = 50304498   

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 receptor ET-A (Mus musculus)	BDBM50304498 (3-Benzo[1,3]dioxol-5-yl-5-[4-(2-fluoroethoxy)pheny...) Show SMILES COc1cc(CC2=C(C(=O)OC2(O)c2ccc(OCCF)cc2)c2ccc3OCOc3c2)cc(OC)c1OC |t:6| Show InChI InChI=1S/C29H27FO9/c1-33-24-13-17(14-25(34-2)27(24)35-3)12-21-26(18-4-9-22-23(15-18)38-16-37-22)28(31)39-29(21,32)19-5-7-20(8-6-19)36-11-10-30/h4-9,13-15,32H,10-12,16H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital M£nster Curated by ChEMBL					Assay Description Displacement of [125I]ET1 from endothelin A receptor in DBA mouse microsomes				Bioorg Med Chem 17: 7197-208 (2009) Article DOI: 10.1016/j.bmc.2009.08.058 BindingDB Entry DOI: 10.7270/Q27S7NVF
					More data for this Ligand-Target Pair
Endothelin B receptor (Mus musculus)	BDBM50304498 (3-Benzo[1,3]dioxol-5-yl-5-[4-(2-fluoroethoxy)pheny...) Show SMILES COc1cc(CC2=C(C(=O)OC2(O)c2ccc(OCCF)cc2)c2ccc3OCOc3c2)cc(OC)c1OC |t:6| Show InChI InChI=1S/C29H27FO9/c1-33-24-13-17(14-25(34-2)27(24)35-3)12-21-26(18-4-9-22-23(15-18)38-16-37-22)28(31)39-29(21,32)19-5-7-20(8-6-19)36-11-10-30/h4-9,13-15,32H,10-12,16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital M£nster Curated by ChEMBL					Assay Description Displacement of [125I]ET1 from endothelin B receptor in DBA mouse microsomes				Bioorg Med Chem 17: 7197-208 (2009) Article DOI: 10.1016/j.bmc.2009.08.058 BindingDB Entry DOI: 10.7270/Q27S7NVF
					More data for this Ligand-Target Pair