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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 = 'BDBM50119668'   
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))		BDBM50119668
PNG
((R)-5-Benzo[1,3]dioxol-5-yl-7-(4-methoxy-phenyl)-2...)
Show SMILES CCCSc1ccc2[C@@H]([C@H]([C@@H](c2n1)c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H25NO5S/c1-3-12-33-21-11-9-18-22(16-6-10-19-20(13-16)32-14-31-19)24(26(28)29)23(25(18)27-21)15-4-7-17(30-2)8-5-15/h4-11,13,22-24H,3,12,14H2,1-2H3,(H,28,29)/t22-,23-,24+/m0/s1
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PC sid
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n/an/a 53n/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