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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 = 'BDBM50104999'   
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


(Sus scrofa)		BDBM50104999
PNG
(CHEMBL114683 | Thiophene-2-sulfonic acid {6-[2-(5-...)
Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2cccs2)ncnc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C21H18BrN5O4S2/c1-14-4-6-15(7-5-14)18-19(27-33(28,29)17-3-2-10-32-17)25-13-26-20(18)30-8-9-31-21-23-11-16(22)12-24-21/h2-7,10-13H,8-9H2,1H3,(H,25,26,27)
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PubMed
n/an/a 3.10n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells

J Med Chem 44: 3355-68 (2001)


BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair