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BDBM50101266 CHEMBL47563::[(1S,3R)-1-(2-Carboxymethoxy-4-methoxy-phenyl)-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)c1ccc(OC)cc1OCC(O)=O

InChI Key: InChIKey=WOLXOYFHGNIFKF-WDYNHAJCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50101266   
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))		BDBM50101266
PNG
(CHEMBL47563 | [(1S,3R)-1-(2-Carboxymethoxy-4-metho...)
Show SMILES CCCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1)c1ccc(OC)cc1OCC(O)=O
Show InChI InChI=1S/C29H31NO8/c1-4-13-37-21-10-11-22-24(14-21)28(18-5-7-19(35-2)8-6-18)30(16-26(31)32)29(22)23-12-9-20(36-3)15-25(23)38-17-27(33)34/h5-12,14-15,28-29H,4,13,16-17H2,1-3H3,(H,31,32)(H,33,34)/t28-,29+/m1/s1
UniProtKB/SwissProt

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PC cid
PC sid
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Similars
PubMed
n/an/a>1.00E+4n/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