BDBM50112727 2-Benzo[1,3]dioxol-5-yl-6-isopropoxy-4-(3-methoxy-propyl)-2H-chromene-3-carboxylic acid::CHEMBL63057

SMILES: COCCCC1=C(C(Oc2ccc(OC(C)C)cc12)c1ccc2OCOc2c1)C(O)=O

InChI Key: InChIKey=ILXGDKSIYZRHDA-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 = 50112727   

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)	BDBM50112727 (2-Benzo[1,3]dioxol-5-yl-6-isopropoxy-4-(3-methoxy-...) Show SMILES COCCCC1=C(C(Oc2ccc(OC(C)C)cc12)c1ccc2OCOc2c1)C(O)=O |t:5| Show InChI InChI=1S/C24H26O7/c1-14(2)30-16-7-9-19-18(12-16)17(5-4-10-27-3)22(24(25)26)23(31-19)15-6-8-20-21(11-15)29-13-28-20/h6-9,11-12,14,23H,4-5,10,13H2,1-3H3,(H,25,26)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	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
Endothelin receptor ET-B (Sus scrofa)	BDBM50112727 (2-Benzo[1,3]dioxol-5-yl-6-isopropoxy-4-(3-methoxy-...) Show SMILES COCCCC1=C(C(Oc2ccc(OC(C)C)cc12)c1ccc2OCOc2c1)C(O)=O |t:5| Show InChI InChI=1S/C24H26O7/c1-14(2)30-16-7-9-19-18(12-16)17(5-4-10-27-3)22(24(25)26)23(31-19)15-6-8-20-21(11-15)29-13-28-20/h6-9,11-12,14,23H,4-5,10,13H2,1-3H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	710	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