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BDBM50514366 CHEMBL4447701

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C=O

InChI Key: InChIKey=AEAFOESGPVOKBP-AMEOFWRWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50514366   
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))
BDBM50514366
PNG
(CHEMBL4447701)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C=O |r|
Show InChI InChI=1S/C32H44N4O6/c1-20(2)15-25(19-37)34-30(40)29(17-23-9-7-6-8-10-23)36-31(41)27(16-21(3)4)35-32(42)28(33-22(5)38)18-24-11-13-26(39)14-12-24/h6-14,19-21,25,27-29,39H,15-18H2,1-5H3,(H,33,38)(H,34,40)(H,35,42)(H,36,41)/t25-,27-,28-,29-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
antibodypedia
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GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.40n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome using Suc-LLVY-AMC as substrate measured every 5 mins for 120 mins by fluorescence based assay


J Med Chem 63: 334-348 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01694
More data for this
Ligand-Target Pair