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BDBM50538158 CHEMBL4632784

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1

InChI Key: InChIKey=RSKRENNUSOLYKR-ZPBGSLHZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50538158   
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))
BDBM50538158
PNG
(CHEMBL4632784)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C33H42N4O6/c1-21(2)17-26(30(40)33(4)20-43-33)35-31(41)27(18-23-12-14-25(15-13-23)24-9-6-5-7-10-24)36-32(42)28-11-8-16-37(28)29(39)19-34-22(3)38/h5-7,9-10,12-15,21,26-28H,8,11,16-20H2,1-4H3,(H,34,38)(H,35,41)(H,36,42)/t26-,27-,28-,33+/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 22n/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