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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 = 'BDBM50061088'   
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)		BDBM50061088
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...)
Show SMILES CCCCCS(=O)(=O)N(CCC)CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H40N2O7S/c1-4-6-7-17-39(34,35)31(14-5-2)16-15-30-19-24(22-10-13-25-26(18-22)38-20-37-25)27(29(32)33)28(30)21-8-11-23(36-3)12-9-21/h8-13,18,24,27-28H,4-7,14-17,19-20H2,1-3H3,(H,32,33)/t24-,27-,28+/m1/s1
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Similars
Article
PubMed
n/an/a 0.570n/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