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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 = 'BDBM50080587'   
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))		BDBM50080587
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2-isopropyl...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1c(C)cccc1C(C)C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C31H34N2O6/c1-18(2)23-7-5-6-19(3)29(23)32-27(34)16-33-15-24(21-10-13-25-26(14-21)39-17-38-25)28(31(35)36)30(33)20-8-11-22(37-4)12-9-20/h5-14,18,24,28,30H,15-17H2,1-4H3,(H,32,34)(H,35,36)/t24-,28-,30+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)

J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair