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BDBM17339 (2S)-2-{[(2S)-1-({2-[(1S)-1-aminoethyl]-1,3-oxazol-4-yl}carbonyl)pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanoic acid::AoxSPY

SMILES: C[C@H](N)c1nc(co1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O

InChI Key: InChIKey=BODQOOUNYXVFCW-PJODQICGSA-N

Data: 1 Kd

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Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 17339   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))
BDBM17339
PNG
((2S)-2-{[(2S)-1-({2-[(1S)-1-aminoethyl]-1,3-oxazol...)
Show SMILES C[C@H](N)c1nc(co1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C20H24N4O6/c1-11(21)18-23-15(10-30-18)19(27)24-8-2-3-16(24)17(26)22-14(20(28)29)9-12-4-6-13(25)7-5-12/h4-7,10-11,14,16,25H,2-3,8-9,21H2,1H3,(H,22,26)(H,28,29)/t11-,14-,16-/m0/s1
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/an/a 1.20E+5n/an/an/a7.022



Princeton University



Assay Description
AVPC-badan can be displaced from the binding pocket of the protein by test compounds. As the dye is displaced from the binding pocket, the emission i...


Bioorg Med Chem 15: 2935-43 (2007)


Article DOI: 10.1016/j.bmc.2007.02.010
BindingDB Entry DOI: 10.7270/Q2KS6PT4
More data for this
Ligand-Target Pair