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BDBM50101249 CHEMBL301371::{2-[(1S,3R)-3-Benzo[1,3]dioxol-5-yl-6-ethoxy-2-(1H-tetrazol-5-yl)-2,3-dihydro-1H-isoindol-1-yl]-5-methoxy-phenoxy}-acetic acid

SMILES: CCOc1ccc2[C@H](N([C@@H](c2c1)c1ccc(OC)cc1OCC(O)=O)c1nnn[nH]1)c1ccc2OCOc2c1

InChI Key: InChIKey=XSIBVUPCSKPMMH-CLJLJLNGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50101249   
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))		BDBM50101249
PNG
(CHEMBL301371 | {2-[(1S,3R)-3-Benzo[1,3]dioxol-5-yl...)
Show SMILES CCOc1ccc2[C@H](N([C@@H](c2c1)c1ccc(OC)cc1OCC(O)=O)c1nnn[nH]1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H25N5O7/c1-3-36-17-6-7-18-20(11-17)26(19-8-5-16(35-2)12-22(19)37-13-24(33)34)32(27-28-30-31-29-27)25(18)15-4-9-21-23(10-15)39-14-38-21/h4-12,25-26H,3,13-14H2,1-2H3,(H,33,34)(H,28,29,30,31)/t25-,26-/m1/s1
UniProtKB/SwissProt

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PC cid
PC sid
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PubMed
n/an/a 31n/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