new BindingDB logo
myBDB logout

BDBM50101269 CHEMBL298922::[(1R,3R)-1-Benzo[1,3]dioxol-5-yl-3-(4-methoxy-phenyl)-5-propoxy-1,3-dihydro-isoindol-2-yl]-acetic acid

SMILES: CCCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1)c1ccc2OCOc2c1

InChI Key: InChIKey=QEYNQJBCFCUMCK-KAYWLYCHSA-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 = 50101269   
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))
BDBM50101269
PNG
(CHEMBL298922 | [(1R,3R)-1-Benzo[1,3]dioxol-5-yl-3-...)
Show SMILES CCCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H27NO6/c1-3-12-32-20-9-10-21-22(14-20)26(17-4-7-19(31-2)8-5-17)28(15-25(29)30)27(21)18-6-11-23-24(13-18)34-16-33-23/h4-11,13-14,26-27H,3,12,15-16H2,1-2H3,(H,29,30)/t26-,27-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 120n/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