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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 = 'BDBM50119667'   
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))		BDBM50119667
PNG
((R)-5-Benzo[1,3]dioxol-5-yl-2-(isopropyl-methyl-am...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](c2ccc(nc12)N(C)C(C)C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C27H28N2O5/c1-15(2)29(3)22-12-10-19-23(17-7-11-20-21(13-17)34-14-33-20)25(27(30)31)24(26(19)28-22)16-5-8-18(32-4)9-6-16/h5-13,15,23-25H,14H2,1-4H3,(H,30,31)/t23-,24-,25+/m0/s1
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n/an/a 14n/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