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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 = 'BDBM50119675'   
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


(Homo sapiens (Human))		BDBM50119675
PNG
((R)-5-Benzo[1,3]dioxol-5-yl-2-ethylaminomethyl-7-(...)
Show SMILES CCNCc1ccc2[C@@H]([C@H]([C@@H](c2n1)c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H26N2O5/c1-3-27-13-17-7-10-19-22(16-6-11-20-21(12-16)33-14-32-20)24(26(29)30)23(25(19)28-17)15-4-8-18(31-2)9-5-15/h4-12,22-24,27H,3,13-14H2,1-2H3,(H,29,30)/t22-,23-,24+/m0/s1
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PubMed
n/an/a 940n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against I-labeled ET-1 binding to Endothelin B receptor

Bioorg Med Chem Lett 12: 3041-5 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9B3N
More data for this
Ligand-Target Pair