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BDBM50538159 CHEMBL4633656

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(cc1)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1

InChI Key: InChIKey=GMAPURXACZABHQ-QNBZCSHPSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50538159   
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))
BDBM50538159
PNG
(CHEMBL4633656)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(cc1)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C31H46N4O6/c1-19(2)15-23(27(38)31(7)18-41-31)33-28(39)24(16-21-10-12-22(13-11-21)30(4,5)6)34-29(40)25-9-8-14-35(25)26(37)17-32-20(3)36/h10-13,19,23-25H,8-9,14-18H2,1-7H3,(H,32,36)(H,33,39)(H,34,40)/t23-,24-,25-,31+/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 121n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis


J Med Chem 63: 3763-3783 (2020)

More data for this
Ligand-Target Pair