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BDBM50531807 CHEMBL4541038

SMILES: CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1cccnc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1

InChI Key: InChIKey=ZFHRVGHVLJZHCW-VUXROXARSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50531807   
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
20S proteasome


(Homo sapiens (Human))
BDBM50531807
PNG
(CHEMBL4541038)
Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1cccnc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C36H50N6O6/c1-23(2)18-28(31(43)36(5)22-48-36)39-34(46)30(20-25-10-7-6-8-11-25)40-33(45)29(19-24(3)4)41-35(47)42-16-13-26(14-17-42)32(44)38-27-12-9-15-37-21-27/h6-12,15,21,23-24,26,28-30H,13-14,16-20,22H2,1-5H3,(H,38,44)(H,39,46)(H,40,45)(H,41,47)/t28-,29-,30-,36+/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Hangzhou Institute of Innovative Medicine

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition


Eur J Med Chem 164: 602-614 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.064
More data for this
Ligand-Target Pair