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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 = 'BDBM50101274'   
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


(Homo sapiens (Human))		BDBM50101274
PNG
(CHEMBL430572 | [(1R,3R)-1-Benzo[1,3]dioxol-5-yl-5-...)
Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@H](c2c1)c1ccc(OC)cc1O)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H25NO7/c1-3-32-17-6-7-18-20(11-17)26(19-8-5-16(31-2)12-21(19)28)27(13-24(29)30)25(18)15-4-9-22-23(10-15)34-14-33-22/h4-12,25-26,28H,3,13-14H2,1-2H3,(H,29,30)/t25-,26+/m1/s1
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PubMed
n/an/a 58n/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