null

SMILES: COc1ccc(cc1)C1=C(C(Oc2ccc(cc12)C(C)C)c1ccc2OCOc2c1)C(O)=O

InChI Key: InChIKey=ILKOXQHPEWLJQB-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50112701   

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 type B (Sus scrofa)	BDBM50112701 (2-Benzo[1,3]dioxol-5-yl-6-isopropyl-4-(4-methoxy-p...) Show SMILES COc1ccc(cc1)C1=C(C(Oc2ccc(cc12)C(C)C)c1ccc2OCOc2c1)C(O)=O |t:9| Show InChI InChI=1S/C27H24O6/c1-15(2)17-6-10-21-20(12-17)24(16-4-8-19(30-3)9-5-16)25(27(28)29)26(33-21)18-7-11-22-23(13-18)32-14-31-22/h4-13,15,26H,14H2,1-3H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	190	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
Endothelin-1 receptor (RAT)	BDBM50112701 (2-Benzo[1,3]dioxol-5-yl-6-isopropyl-4-(4-methoxy-p...) Show SMILES COc1ccc(cc1)C1=C(C(Oc2ccc(cc12)C(C)C)c1ccc2OCOc2c1)C(O)=O |t:9| Show InChI InChI=1S/C27H24O6/c1-15(2)17-6-10-21-20(12-17)24(16-4-8-19(30-3)9-5-16)25(27(28)29)26(33-21)18-7-11-22-23(13-18)32-14-31-22/h4-13,15,26H,14H2,1-3H3,(H,28,29)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50112701 (2-Benzo[1,3]dioxol-5-yl-6-isopropyl-4-(4-methoxy-p...) Show SMILES COc1ccc(cc1)C1=C(C(Oc2ccc(cc12)C(C)C)c1ccc2OCOc2c1)C(O)=O |t:9| Show InChI InChI=1S/C27H24O6/c1-15(2)17-6-10-21-20(12-17)24(16-4-8-19(30-3)9-5-16)25(27(28)29)26(33-21)18-7-11-22-23(13-18)32-14-31-22/h4-13,15,26H,14H2,1-3H3,(H,28,29)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	110	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