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BDBM50101265 CHEMBL298569::{(1R,3S)-1-Benzo[1,3]dioxol-5-yl-5-ethoxy-3-[2-(2-hydroxy-ethoxy)-4-methoxy-phenyl]-1,3-dihydro-isoindol-2-yl}-acetic acid

SMILES: CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1OCCO)c1ccc2OCOc2c1

InChI Key: InChIKey=SIKCHHQFRMPLOK-VSGBNLITSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50101265   
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))		BDBM50101265
PNG
(CHEMBL298569 | {(1R,3S)-1-Benzo[1,3]dioxol-5-yl-5-...)
Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1OCCO)c1ccc2OCOc2c1
Show InChI InChI=1S/C28H29NO8/c1-3-34-19-6-7-20-22(13-19)28(21-8-5-18(33-2)14-24(21)35-11-10-30)29(15-26(31)32)27(20)17-4-9-23-25(12-17)37-16-36-23/h4-9,12-14,27-28,30H,3,10-11,15-16H2,1-2H3,(H,31,32)/t27-,28-/m1/s1
UniProtKB/SwissProt

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Similars
PubMed
n/an/a>1.00E+4n/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