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BDBM50185624 (S)-4-((S)-1-carboxy-2-(4-hydroxyphenyl)ethylamino)-3-((S)-2-((2S,3R)-3-hydroxy-2-((2S,3S)-2-((2S,3R)-3-hydroxy-2-tetradecanamidobutanamido)-3-methylpentanamido)butanamido)-3-phenylpropanamido)-4-oxobutanoic acid::CHEMBL209196

SMILES: CCCCCCCCCCCCCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O

InChI Key: InChIKey=RWQWKVVYXHQQLE-UMHICCRTSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50185624   
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
Proteasome Macropain subunit


(Saccharomyces cerevisiae)
BDBM50185624
PNG
((S)-4-((S)-1-carboxy-2-(4-hydroxyphenyl)ethylamino...)
Show SMILES CCCCCCCCCCCCCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C50H76N6O13/c1-6-8-9-10-11-12-13-14-15-16-20-23-40(60)54-43(32(4)57)49(67)55-42(31(3)7-2)47(65)56-44(33(5)58)48(66)52-37(28-34-21-18-17-19-22-34)45(63)51-38(30-41(61)62)46(64)53-39(50(68)69)29-35-24-26-36(59)27-25-35/h17-19,21-22,24-27,31-33,37-39,42-44,57-59H,6-16,20,23,28-30H2,1-5H3,(H,51,63)(H,52,66)(H,53,64)(H,54,60)(H,55,67)(H,56,65)(H,61,62)(H,68,69)/t31-,32+,33+,37-,38-,39-,42-,43-,44-/m0/s1
PDB
MMDB

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PC sid
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Similars

Article
PubMed
7.80E+4n/an/an/an/an/an/an/an/a



CNRS-Université Paris VI

Curated by ChEMBL


Assay Description
Inhibition of trypsin like activity of yeast 20S proteasome


Bioorg Med Chem Lett 16: 3277-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.033
BindingDB Entry DOI: 10.7270/Q280527Z
More data for this
Ligand-Target Pair