BDBM50112751 2-Benzo[1,3]dioxol-5-yl-6-isopropoxy-4-pentyloxy-2H-chromene-3-carboxylic acid::CHEMBL62762

SMILES: CCCCCOC1=C(C(Oc2ccc(OC(C)C)cc12)c1ccc2OCOc2c1)C(O)=O

InChI Key: InChIKey=FQYGJVMROUFQER-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 = 50112751   

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-B (Sus scrofa)	BDBM50112751 (2-Benzo[1,3]dioxol-5-yl-6-isopropoxy-4-pentyloxy-2...) Show SMILES CCCCCOC1=C(C(Oc2ccc(OC(C)C)cc12)c1ccc2OCOc2c1)C(O)=O |t:6| Show InChI InChI=1S/C25H28O7/c1-4-5-6-11-28-24-18-13-17(31-15(2)3)8-10-19(18)32-23(22(24)25(26)27)16-7-9-20-21(12-16)30-14-29-20/h7-10,12-13,15,23H,4-6,11,14H2,1-3H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to endothelin B receptor measured by inhibition of [125I]-ET-3 binding recombinant pig ET-B receptor expressed in COS-7 cells				J Med Chem 45: 2041-55 (2002) BindingDB Entry DOI: 10.7270/Q24J0DGM
					More data for this Ligand-Target Pair
EDNRA (RAT)	BDBM50112751 (2-Benzo[1,3]dioxol-5-yl-6-isopropoxy-4-pentyloxy-2...) Show SMILES CCCCCOC1=C(C(Oc2ccc(OC(C)C)cc12)c1ccc2OCOc2c1)C(O)=O |t:6| Show InChI InChI=1S/C25H28O7/c1-4-5-6-11-28-24-18-13-17(31-15(2)3)8-10-19(18)32-23(22(24)25(26)27)16-7-9-20-21(12-16)30-14-29-20/h7-10,12-13,15,23H,4-6,11,14H2,1-3H3,(H,26,27)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity for endothelin A receptor by inhibition of [125I]-ET-1 binding in rat aorta smooth muscle cells				J Med Chem 45: 2041-55 (2002) BindingDB Entry DOI: 10.7270/Q24J0DGM
					More data for this Ligand-Target Pair