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BDBM50526814 CHEMBL4473920

SMILES: C[C@@H](CC(=O)NCc1cccc2ccccc12)NC(=O)[C@H](CC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1

InChI Key: InChIKey=NILMOKKCRYNYKK-CUNXSJBXSA-N

Data: 2 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 2 hits for monomerid = 50526814   
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-1/beta type-5


(Homo sapiens (Human))
BDBM50526814
PNG
(CHEMBL4473920)
Show SMILES C[C@@H](CC(=O)NCc1cccc2ccccc12)NC(=O)[C@H](CC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1 |r|
Show InChI InChI=1S/C32H40N4O4/c1-22(19-29(38)33-21-25-15-10-14-24-13-8-9-16-26(24)25)34-31(40)27(20-30(39)36-32(2,3)4)35-28(37)18-17-23-11-6-5-7-12-23/h5-16,22,27H,17-21H2,1-4H3,(H,33,38)(H,34,40)(H,35,37)(H,36,39)/t22-,27-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.60E+4n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta 5c (unknown origin) after 1 hr by cell based assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111646
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM50526814
PNG
(CHEMBL4473920)
Show SMILES C[C@@H](CC(=O)NCc1cccc2ccccc12)NC(=O)[C@H](CC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1 |r|
Show InChI InChI=1S/C32H40N4O4/c1-22(19-29(38)33-21-25-15-10-14-24-13-8-9-16-26(24)25)34-31(40)27(20-30(39)36-32(2,3)4)35-28(37)18-17-23-11-6-5-7-12-23/h5-16,22,27H,17-21H2,1-4H3,(H,33,38)(H,34,40)(H,35,37)(H,36,39)/t22-,27-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 57n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta 5i (unknown origin) after 1 hr by cell based assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111646
More data for this
Ligand-Target Pair