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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 = 'BDBM50395624'   
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))		BDBM50395624
PNG
(CHEMBL2165340)
Show SMILES Brc1ccc(cc1)-c1c(NS(=O)(=O)NC2CC2)ncnc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C19H18Br2N6O4S/c20-13-3-1-12(2-4-13)16-17(27-32(28,29)26-15-5-6-15)24-11-25-18(16)30-7-8-31-19-22-9-14(21)10-23-19/h1-4,9-11,15,26H,5-8H2,(H,24,25,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.40n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [I125]ET1 from recombinant ETA receptor expressed in CHO cells after 2 hrs by TopCount analysis

J Med Chem 55: 7849-61 (2012)


Article DOI: 10.1021/jm3009103
BindingDB Entry DOI: 10.7270/Q21C1XZT
More data for this
Ligand-Target Pair