BDBM50034265 3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phenyl)-4-(4-methyl-benzyl)-5H-furan-2-one::CHEMBL10374

SMILES: COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(C)cc1)c1ccc2OCOc2c1

InChI Key: InChIKey=SGMHXYMWOLAIMX-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50034265   

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))	BDBM50034265 (3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(C)cc1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C26H22O6/c1-16-3-5-17(6-4-16)13-21-24(18-7-12-22-23(14-18)31-15-30-22)25(27)32-26(21,28)19-8-10-20(29-2)11-9-19/h3-12,14,28H,13,15H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Antagonistic activity against human Endothelin A receptor expressed in LtK				J Med Chem 38: 1259-63 (1995) BindingDB Entry DOI: 10.7270/Q2WH2P1B
					More data for this Ligand-Target Pair
EDNRB (Homo sapiens (Human))	BDBM50034265 (3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(C)cc1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C26H22O6/c1-16-3-5-17(6-4-16)13-21-24(18-7-12-22-23(14-18)31-15-30-22)25(27)32-26(21,28)19-8-10-20(29-2)11-9-19/h3-12,14,28H,13,15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Tested for antagonistic activity against Endothelin B receptor in the humans (CHO expressed).				J Med Chem 38: 1259-63 (1995) BindingDB Entry DOI: 10.7270/Q2WH2P1B
					More data for this Ligand-Target Pair
EDNRB (Homo sapiens (Human))	BDBM50034265 (3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(C)cc1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C26H22O6/c1-16-3-5-17(6-4-16)13-21-24(18-7-12-22-23(14-18)31-15-30-22)25(27)32-26(21,28)19-8-10-20(29-2)11-9-19/h3-12,14,28H,13,15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+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
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50034265 (3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(C)cc1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C26H22O6/c1-16-3-5-17(6-4-16)13-21-24(18-7-12-22-23(14-18)31-15-30-22)25(27)32-26(21,28)19-8-10-20(29-2)11-9-19/h3-12,14,28H,13,15H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Tested for antagonistic activity against Endothelin A receptor in the rabbit renal artery vascular smooth muscle cells.				J Med Chem 38: 1259-63 (1995) BindingDB Entry DOI: 10.7270/Q2WH2P1B
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50034265 (3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(C)cc1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C26H22O6/c1-16-3-5-17(6-4-16)13-21-24(18-7-12-22-23(14-18)31-15-30-22)25(27)32-26(21,28)19-8-10-20(29-2)11-9-19/h3-12,14,28H,13,15H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	51	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 (RAT)	BDBM50034265 (3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(C)cc1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C26H22O6/c1-16-3-5-17(6-4-16)13-21-24(18-7-12-22-23(14-18)31-15-30-22)25(27)32-26(21,28)19-8-10-20(29-2)11-9-19/h3-12,14,28H,13,15H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Tested for antagonistic activity against Endothelin B receptor in the rat cerebellum.				J Med Chem 38: 1259-63 (1995) BindingDB Entry DOI: 10.7270/Q2WH2P1B
					More data for this Ligand-Target Pair