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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 = 'BDBM50093994'   
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)		BDBM50093994
PNG
(2-(4-Carboxy-benzyl)-4-(6-chloro-benzo[1,3]dioxol-...)
Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1Cc1ccc(cc1)C(O)=O)-c1ccccc1
Show InChI InChI=1S/C26H19ClN2O6/c27-20-12-22-21(34-14-35-22)11-18(20)10-19-23(16-4-2-1-3-5-16)28-29(24(19)26(32)33)13-15-6-8-17(9-7-15)25(30)31/h1-9,11-12H,10,13-14H2,(H,30,31)(H,32,33)
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PubMed
n/an/a 11n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin A receptor in rat heart ventricles

Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair