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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 = 'BDBM50101254'   
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))		BDBM50101254
PNG
(CHEMBL301723 | [(1R,3R)-1-Benzo[1,3]dioxol-5-yl-5-...)
Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C28H29NO8/c1-5-35-18-7-8-19-20(13-18)27(17-11-23(32-2)28(34-4)24(12-17)33-3)29(14-25(30)31)26(19)16-6-9-21-22(10-16)37-15-36-21/h6-13,26-27H,5,14-15H2,1-4H3,(H,30,31)/t26-,27-/m1/s1
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PubMed
n/an/a 66n/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