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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 = 50281577   
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)
BDBM50281577
PNG
((S)-3-{(S)-2-[(R)-2-Acetylamino-3-(4-hydroxy-pheny...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc1ccc(O)cc1)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/C43H60N8O11/c1-6-23(3)36(41(59)49-34(43(61)62)20-27-22-45-30-12-9-8-11-29(27)30)51-42(60)37(24(4)7-2)50-40(58)33(21-35(54)55)48-38(56)31(13-10-18-44)47-39(57)32(46-25(5)52)19-26-14-16-28(53)17-15-26/h8-9,11-12,14-17,22-24,31-34,36-37,45,53H,6-7,10,13,18-21,44H2,1-5H3,(H,46,52)(H,47,57)(H,48,56)(H,49,59)(H,50,58)(H,51,60)(H,54,55)(H,61,62)/t23-,24-,31+,32-,33+,34+,36+,37+/m1/s1
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PC cid
PC sid
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Similars

Article
n/an/a 26n/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