BindingDB logo
myBDB logout

BDBM50538154 CHEMBL4646714

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1

InChI Key: InChIKey=NVFPGPPZTSVFJJ-HJJDGDTKSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50538154   
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))
BDBM50538154
PNG
(CHEMBL4646714)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C26H36N4O6/c1-16(2)12-19(23(33)26(4)15-36-26)28-24(34)20(13-18-8-6-5-7-9-18)29-25(35)21-10-11-30(21)22(32)14-27-17(3)31/h5-9,16,19-21H,10-15H2,1-4H3,(H,27,31)(H,28,34)(H,29,35)/t19-,20-,21-,26+/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 100n/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