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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 = 'BDBM50061103'   
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)		BDBM50061103
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-{2-[(hexane-1...)
Show SMILES CCCCCCS(=O)(=O)N(CCC)CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C30H42N2O7S/c1-4-6-7-8-18-40(35,36)32(15-5-2)17-16-31-20-25(23-11-14-26-27(19-23)39-21-38-26)28(30(33)34)29(31)22-9-12-24(37-3)13-10-22/h9-14,19,25,28-29H,4-8,15-18,20-21H2,1-3H3,(H,33,34)/t25-,28-,29+/m1/s1
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Similars
Article
PubMed
n/an/a 0.430n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to displace endothelin ([125I]-ET-1) from endothelin A receptor derived from MMQ cells of rodent.

J Med Chem 40: 3217-27 (1997)


Article DOI: 10.1021/jm970101g
BindingDB Entry DOI: 10.7270/Q2C24VJR
More data for this
Ligand-Target Pair