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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin receptor type B' and Ligand = 'BDBM50093982'   
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 receptor type B


(RAT)		BDBM50093982
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...)
Show SMILES COc1ccc(cc1)-c1nn(CC2CCCCC2)c(C(O)=O)c1Cc1cc2OCOc2cc1Cl
Show InChI InChI=1S/C26H27ClN2O5/c1-32-19-9-7-17(8-10-19)24-20(11-18-12-22-23(13-21(18)27)34-15-33-22)25(26(30)31)29(28-24)14-16-5-3-2-4-6-16/h7-10,12-13,16H,2-6,11,14-15H2,1H3,(H,30,31)
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Similars
PubMed
n/an/a 178n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum

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


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