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BDBM50101253 CHEMBL417903::[(1R,3R)-1-Benzo[1,3]dioxol-5-yl-3-(2-carboxymethoxy-3-methoxy-phenyl)-5-ethoxy-1,3-dihydro-isoindol-2-yl]-acetic acid

SMILES: CCOc1ccc2[C@H](N(CC(O)=O)[C@H](c2c1)c1cccc(OC)c1OCC(O)=O)c1ccc2OCOc2c1

InChI Key: InChIKey=PBTQECKJFWIROQ-SXOMAYOGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50101253   
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))		BDBM50101253
PNG
(CHEMBL417903 | [(1R,3R)-1-Benzo[1,3]dioxol-5-yl-3-...)
Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@H](c2c1)c1cccc(OC)c1OCC(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C28H27NO9/c1-3-35-17-8-9-18-20(12-17)27(19-5-4-6-22(34-2)28(19)36-14-25(32)33)29(13-24(30)31)26(18)16-7-10-21-23(11-16)38-15-37-21/h4-12,26-27H,3,13-15H2,1-2H3,(H,30,31)(H,32,33)/t26-,27+/m1/s1
UniProtKB/SwissProt

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PC sid
UniChem

Similars
PubMed
n/an/a 110n/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