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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 = 'BDBM50105019'   
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)		BDBM50105019
PNG
(CHEMBL111934 | N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(C)cc1
Show InChI InChI=1S/C24H22BrN5O5S/c1-16-3-5-17(6-4-16)21-22(30-36(31,32)20-9-7-19(33-2)8-10-20)28-15-29-23(21)34-11-12-35-24-26-13-18(25)14-27-24/h3-10,13-15H,11-12H2,1-2H3,(H,28,29,30)
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PubMed
n/an/a 0.760n/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