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BDBM50099949 CHEMBL3319600

SMILES: CCCC[C@H](NC(=O)[C@@H]1CC(F)(F)CN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1

InChI Key: InChIKey=ZQHIIXSUNOIOEL-XKLXJRETNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50099949   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50099949
PNG
(CHEMBL3319600)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CC(F)(F)CN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
Show InChI InChI=1/C25H39F2N7O6/c1-6-7-8-16(21(37)32-17(9-14(2)3)20(36)24(5)13-40-24)31-22(38)18-10-25(26,27)12-34(18)23(39)15(4)30-19(35)11-29-33-28/h14-18H,6-13H2,1-5H3,(H,30,35)(H,31,38)(H,32,37)/t15-,16-,17-,18-,24+/s2
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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair