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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin receptor ET-A' and Monomerid = 50281582   
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 ET-A


(Mus musculus)
BDBM50281582
PNG
((S)-3-[(S)-2-((R)-2-Acetylamino-3-phenyl-propionyl...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C42H56N8O11/c1-6-22(3)35(40(58)48-32(42(60)61)18-26-21-44-28-16-12-11-15-27(26)28)50-41(59)36(23(4)7-2)49-39(57)31(20-34(53)54)47-38(56)30(19-33(43)52)46-37(55)29(45-24(5)51)17-25-13-9-8-10-14-25/h8-16,21-23,29-32,35-36,44H,6-7,17-20H2,1-5H3,(H2,43,52)(H,45,51)(H,46,55)(H,47,56)(H,48,58)(H,49,57)(H,50,59)(H,53,54)(H,60,61)/t22-,23-,29-,30+,31+,32+,35+,36+/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
n/an/a 75n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to Endothelin A receptor of murine 3T3 cells


Bioorg Med Chem Lett 3: 519-524 (1993)


Article DOI: 10.1016/S0960-894X(01)81219-1
BindingDB Entry DOI: 10.7270/Q27081C5
More data for this
Ligand-Target Pair