BindingDB logo
myBDB logout

BDBM50101254 CHEMBL301723::[(1R,3R)-1-Benzo[1,3]dioxol-5-yl-5-ethoxy-3-(3,4,5-trimethoxy-phenyl)-1,3-dihydro-isoindol-2-yl]-acetic acid

SMILES: CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1

InChI Key: InChIKey=JBMMQCZBDFDLEC-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 = 50101254   
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))
BDBM50101254
PNG
(CHEMBL301723 | [(1R,3R)-1-Benzo[1,3]dioxol-5-yl-5-...)
Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C28H29NO8/c1-5-35-18-7-8-19-20(13-18)27(17-11-23(32-2)28(34-4)24(12-17)33-3)29(14-25(30)31)26(19)16-6-9-21-22(10-16)37-15-36-21/h6-13,26-27H,5,14-15H2,1-4H3,(H,30,31)/t26-,27-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 66n/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