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BDBM50101262 3-[2-((1R,3R)-3-Benzo[1,3]dioxol-5-yl-2-carboxymethyl-6-ethoxy-2,3-dihydro-1H-isoindol-1-yl)-5-methoxy-phenoxy]-2,2-dimethyl-propionic acid::CHEMBL49312

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

InChI Key: InChIKey=QALLWMCSGPPNCJ-WDYNHAJCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50101262   
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))
BDBM50101262
PNG
(3-[2-((1R,3R)-3-Benzo[1,3]dioxol-5-yl-2-carboxymet...)
Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@H](c2c1)c1ccc(OC)cc1OCC(C)(C)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H33NO9/c1-5-38-20-8-9-21-23(13-20)29(22-10-7-19(37-4)14-25(22)39-16-31(2,3)30(35)36)32(15-27(33)34)28(21)18-6-11-24-26(12-18)41-17-40-24/h6-14,28-29H,5,15-17H2,1-4H3,(H,33,34)(H,35,36)/t28-,29+/m1/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14n/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)


Article DOI: 10.1016/s0960-894x(01)00273-6
BindingDB Entry DOI: 10.7270/Q2B27TJ5
More data for this
Ligand-Target Pair