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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 = 'BDBM50146627'   
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


(RAT)		BDBM50146627
PNG
((Z)-3-Cyclohexylmethyl-4-(2,3-dihydro-benzo[1,4]di...)
Show SMILES COc1cc(cc2OCOc12)C(\C(O)=O)=C(/CC1CCCCC1)C(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C27H28O8/c1-31-22-13-18(14-23-26(22)35-15-34-23)24(27(29)30)19(11-16-5-3-2-4-6-16)25(28)17-7-8-20-21(12-17)33-10-9-32-20/h7-8,12-14,16H,2-6,9-11,15H2,1H3,(H,29,30)/b24-19-
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.

J Med Chem 47: 2750-60 (2004)


Article DOI: 10.1021/jm031041j
BindingDB Entry DOI: 10.7270/Q26T0M3J
More data for this
Ligand-Target Pair