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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 = 'BDBM50069564'   
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)		BDBM50069564
PNG
(5-Dimethylamino-naphthalene-1-sulfonic acid benzo[...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C19H18N2O4S/c1-21(2)16-7-3-6-15-14(16)5-4-8-19(15)26(22,23)20-13-9-10-17-18(11-13)25-12-24-17/h3-11,20H,12H2,1-2H3
PDB

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PC cid
PC sid
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n/an/a 370n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to rat aorta membrane Endothelin A receptor

Bioorg Med Chem Lett 8: 17-22 (1999)


BindingDB Entry DOI: 10.7270/Q23B5Z9H
More data for this
Ligand-Target Pair