null

SMILES: CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1OCC(O)=O)c1ccc2OCOc2c1

InChI Key: InChIKey=IJOSJBQROXKMOT-VSGBNLITSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50101258   

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 (RAT)	BDBM50101258 (CHEMBL295440 | [(1R,3S)-1-Benzo[1,3]dioxol-5-yl-3-...) Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1OCC(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H27NO9/c1-3-35-18-6-7-19-21(11-18)28(20-8-5-17(34-2)12-23(20)36-14-26(32)33)29(13-25(30)31)27(19)16-4-9-22-24(10-16)38-15-37-22/h4-12,27-28H,3,13-15H2,1-2H3,(H,30,31)(H,32,33)/t27-,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	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 (Homo sapiens (Human))	BDBM50101258 (CHEMBL295440 | [(1R,3S)-1-Benzo[1,3]dioxol-5-yl-3-...) Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1OCC(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H27NO9/c1-3-35-18-6-7-19-21(11-18)28(20-8-5-17(34-2)12-23(20)36-14-26(32)33)29(13-25(30)31)27(19)16-4-9-22-24(10-16)38-15-37-22/h4-12,27-28H,3,13-15H2,1-2H3,(H,30,31)(H,32,33)/t27-,28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor				Bioorg Med Chem Lett 11: 1737-40 (2001) BindingDB Entry DOI: 10.7270/Q2B27TJ5
					More data for this Ligand-Target Pair