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BDBM50101248 CHEMBL297353::[(1R,3R)-1-Benzo[1,3]dioxol-5-yl-5-methoxy-3-(4-methoxy-phenyl)-1,3-dihydro-isoindol-2-yl]-acetic acid

SMILES: COc1ccc(cc1)[C@H]1N(CC(O)=O)[C@@H](c2ccc(OC)cc12)c1ccc2OCOc2c1

InChI Key: InChIKey=RVYMZVMEZQKWSA-JWQCQUIFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50101248   
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))		BDBM50101248
PNG
(CHEMBL297353 | [(1R,3R)-1-Benzo[1,3]dioxol-5-yl-5-...)
Show SMILES COc1ccc(cc1)[C@H]1N(CC(O)=O)[C@@H](c2ccc(OC)cc12)c1ccc2OCOc2c1
Show InChI InChI=1S/C25H23NO6/c1-29-17-6-3-15(4-7-17)24-20-12-18(30-2)8-9-19(20)25(26(24)13-23(27)28)16-5-10-21-22(11-16)32-14-31-21/h3-12,24-25H,13-14H2,1-2H3,(H,27,28)/t24-,25-/m1/s1
UniProtKB/SwissProt

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PubMed
n/an/a 3.30E+3n/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