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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proteasome subunit beta type-5' and Ligand = 'BDBM50234977'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50234977
PNG
(CHEMBL4102973)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1cnccn1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C38H48N8O7/c1-38(2,3)23-42-33(47)20-29(44-37(51)46-17-13-27(14-18-46)34(48)45-32-22-39-15-16-40-32)36(50)43-28(11-9-25-7-5-4-6-8-25)35(49)41-21-26-10-12-30-31(19-26)53-24-52-30/h4-8,10,12,15-16,19,22,27-29H,9,11,13-14,17-18,20-21,23-24H2,1-3H3,(H,41,49)(H,42,47)(H,43,50)(H,44,51)(H,40,45,48)/t28-,29-/m0/s1
PDB
MMDB

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Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome pretreated for 15 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substrate addition by flu...


Eur J Med Chem 126: 1056-1070 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.034
BindingDB Entry DOI: 10.7270/Q2MK6G4X
More data for this
Ligand-Target Pair