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BDBM50101275 4-[2-((1S,3R)-3-Benzo[1,3]dioxol-5-yl-2-carboxymethyl-6-ethoxy-2,3-dihydro-1H-isoindol-1-yl)-5-methoxy-phenoxy]-butyric acid::CHEMBL440853

SMILES: CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1OCCCC(O)=O)c1ccc2OCOc2c1

InChI Key: InChIKey=LHIXARGYJZGGRY-LOYHVIPDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50101275   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50101275
PNG
(4-[2-((1S,3R)-3-Benzo[1,3]dioxol-5-yl-2-carboxymet...)
Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1OCCCC(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C30H31NO9/c1-3-37-20-8-9-21-23(14-20)30(22-10-7-19(36-2)15-25(22)38-12-4-5-27(32)33)31(16-28(34)35)29(21)18-6-11-24-26(13-18)40-17-39-24/h6-11,13-15,29-30H,3-5,12,16-17H2,1-2H3,(H,32,33)(H,34,35)/t29-,30-/m1/s1
UniProtKB/SwissProt

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Similars
PubMed
n/an/a 22n/an/an/an/an/an/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