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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 = 'BDBM50124496'   
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))		BDBM50124496
PNG
(CHEMBL368996 | Pyrazin-2-yl-carbamic acid 4-[6-(5-...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#CCOC(=O)Nc1cnccn1)N1CCOCC1
Show InChI InChI=1S/C32H34N8O8S/c1-22(2)23-10-11-27(35-20-23)49(42,43)39-29-28(48-25-9-5-4-8-24(25)44-3)30(38-31(37-29)40-14-18-45-19-15-40)46-16-6-7-17-47-32(41)36-26-21-33-12-13-34-26/h4-5,8-13,20-22H,14-19H2,1-3H3,(H,34,36,41)(H,37,38,39)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor

Bioorg Med Chem Lett 13: 955-9 (2003)


BindingDB Entry DOI: 10.7270/Q28C9VK8
More data for this
Ligand-Target Pair