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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 = 'BDBM50101265'   
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))
BDBM50101265
PNG
(CHEMBL298569 | {(1R,3S)-1-Benzo[1,3]dioxol-5-yl-5-...)
Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1OCCO)c1ccc2OCOc2c1
Show InChI InChI=1S/C28H29NO8/c1-3-34-19-6-7-20-22(13-19)28(21-8-5-18(33-2)14-24(21)35-11-10-30)29(15-26(31)32)27(20)17-4-9-23-25(12-17)37-16-36-23/h4-9,12-14,27-28,30H,3,10-11,15-16H2,1-2H3,(H,31,32)/t27-,28-/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

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