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BDBM50070882 (Z)-2-Benzo[1,2,5]thiadiazol-5-yl-4-(2-fluoro-4-methoxy-phenyl)-4-oxo-3-(3,4,5-trimethoxy-benzyl)-but-2-enoic acid anion

SMILES: COc1ccc(C(=O)C(\Cc2cc(OC)c(OC)c(OC)c2)=C(/C([O-])=O)c2ccc3nsnc3c2)c(F)c1

InChI Key: InChIKey=SWMGWRSYZXMCEK-MOHJPFBDSA-M

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50070882   
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
EDNRA


(RAT)		BDBM50070882
PNG
((Z)-2-Benzo[1,2,5]thiadiazol-5-yl-4-(2-fluoro-4-me...)
Show SMILES COc1ccc(C(=O)C(\Cc2cc(OC)c(OC)c(OC)c2)=C(/C([O-])=O)c2ccc3nsnc3c2)c(F)c1
Show InChI InChI=1S/C27H23FN2O7S/c1-34-16-6-7-17(19(28)13-16)25(31)18(9-14-10-22(35-2)26(37-4)23(11-14)36-3)24(27(32)33)15-5-8-20-21(12-15)30-38-29-20/h5-8,10-13H,9H2,1-4H3,(H,32,33)/p-1/b24-18-
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Similars
PubMed
n/an/a 3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor

Bioorg Med Chem Lett 8: 1771-6 (1999)


BindingDB Entry DOI: 10.7270/Q2TM7BM4
More data for this
Ligand-Target Pair