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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 = 50281911   
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)
BDBM50281911
PNG
((R)-3-[(R)-5-((S)-2-Acetylamino-3-phenyl-propionyl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](N)CCCNC(=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/C43H60N8O10/c1-6-24(3)36(41(58)49-34(43(60)61)21-28-23-46-31-18-12-11-16-29(28)31)51-42(59)37(25(4)7-2)50-40(57)33(22-35(53)54)48-38(55)30(44)17-13-19-45-39(56)32(47-26(5)52)20-27-14-9-8-10-15-27/h8-12,14-16,18,23-25,30,32-34,36-37,46H,6-7,13,17,19-22,44H2,1-5H3,(H,45,56)(H,47,52)(H,48,55)(H,49,58)(H,50,57)(H,51,59)(H,53,54)(H,60,61)/t24-,25-,30+,32-,33+,34-,36-,37-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
n/an/a 250n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound for Endothelin A receptor was determined in murine 3T3 cells


Bioorg Med Chem Lett 3: 1253-1256 (1993)


Article DOI: 10.1016/S0960-894X(00)80326-1
BindingDB Entry DOI: 10.7270/Q2ZC82S8
More data for this
Ligand-Target Pair