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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 = 'BDBM50050973'   
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)		BDBM50050973
PNG
((2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-(isobutylcarb...)
Show SMILES COc1ccc(cc1)[C@@H]1[C@H]([C@@H](CN1CC(=O)NCC(C)C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C25H30N2O6/c1-15(2)11-26-22(28)13-27-12-19(17-6-9-20-21(10-17)33-14-32-20)23(25(29)30)24(27)16-4-7-18(31-3)8-5-16/h4-10,15,19,23-24H,11-14H2,1-3H3,(H,26,28)(H,29,30)/t19-,23-,24+/m0/s1
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Article
PubMed
n/an/a 8.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against the Endothelin A receptor of rat MMQ cells

J Med Chem 39: 1039-48 (1996)


Article DOI: 10.1021/jm9505369
BindingDB Entry DOI: 10.7270/Q29G5KWT
More data for this
Ligand-Target Pair