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BDBM50538166 CHEMBL4638678

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

InChI Key: InChIKey=SDJAVOAMERALAG-GHIUXRNCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50538166   
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))
BDBM50538166
PNG
(CHEMBL4638678)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C27H37FN4O6/c1-16(2)12-20(24(35)27(4)15-38-27)30-25(36)21(13-18-7-9-19(28)10-8-18)31-26(37)22-6-5-11-32(22)23(34)14-29-17(3)33/h7-10,16,20-22H,5-6,11-15H2,1-4H3,(H,29,33)(H,30,36)(H,31,37)/t20-,21-,22-,27+/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 82n/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