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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50006558   
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))		BDBM50050807
PNG
(3-Methoxy-2-(4-methoxy-6-methyl-pyrimidin-2-yloxy)...)
Show SMILES COc1cc(C)nc(OC(C(O)=O)C(OC)(c2ccccc2)c2ccccc2)n1
Show InChI InChI=1S/C22H22N2O5/c1-15-14-18(27-2)24-21(23-15)29-19(20(25)26)22(28-3,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-14,19H,1-3H3,(H,25,26)
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Article
PubMed
 20n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Endothelin B receptor by measuring its ability to displace [125I]-ET-3 from CHO cells

J Med Chem 39: 2123-8 (1996)


Article DOI: 10.1021/jm960274q
BindingDB Entry DOI: 10.7270/Q2G44PDH
More data for this
Ligand-Target Pair