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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50119677'   
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-1 receptor


(Homo sapiens (Human))		BDBM50119677
PNG
((R)-5-Benzo[1,3]dioxol-5-yl-2-(2-carboxy-ethyl)-7-...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](c2ccc(CCC(O)=O)nc12)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C26H23NO7/c1-32-17-7-2-14(3-8-17)23-24(26(30)31)22(15-4-10-19-20(12-15)34-13-33-19)18-9-5-16(27-25(18)23)6-11-21(28)29/h2-5,7-10,12,22-24H,6,11,13H2,1H3,(H,28,29)(H,30,31)/t22-,23-,24+/m0/s1
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PC sid
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PubMed
n/an/a 150n/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 A receptor

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


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