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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50070887'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Endothelin-1 receptor


(RAT)		BDBM50070887
PNG
(CHEMBL52338 | Sodium; (Z)-2-benzo[1,2,5]thiadiazol...)
Show SMILES COc1ccc(cc1)C(=O)C(\Cc1ccc(OC(C)(C)C)cc1)=C(/C([O-])=O)c1ccc2nsnc2c1
Show InChI InChI=1S/C28H26N2O5S/c1-28(2,3)35-21-10-5-17(6-11-21)15-22(26(31)18-7-12-20(34-4)13-8-18)25(27(32)33)19-9-14-23-24(16-19)30-36-29-23/h5-14,16H,15H2,1-4H3,(H,32,33)/p-1/b25-22-
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Similars
PubMed
n/an/a 580n/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