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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 = 'BDBM50101256'   
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))		BDBM50101256
PNG
((1R,3S)-1-Benzo[1,3]dioxol-5-yl-5-ethoxy-2-(1H-tet...)
Show SMILES CCOc1ccc2[C@H](N([C@H](c2c1)c1cc(OC)c(OC)c(OC)c1)c1nnn[nH]1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H27N5O6/c1-5-36-17-7-8-18-19(13-17)25(16-11-22(33-2)26(35-4)23(12-16)34-3)32(27-28-30-31-29-27)24(18)15-6-9-20-21(10-15)38-14-37-20/h6-13,24-25H,5,14H2,1-4H3,(H,28,29,30,31)/t24-,25+/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor

Bioorg Med Chem Lett 11: 1737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TJ5
More data for this
Ligand-Target Pair