BindingDB logo
myBDB logout

BDBM50101250 3-[2-((1S,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::CHEMBL296974

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

InChI Key: InChIKey=QALLWMCSGPPNCJ-FQLXRVMXSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50101250   
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))		BDBM50101250
PNG
(3-[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)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

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 68n/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