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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proteasome subunit beta type-8' and Ligand = 'BDBM50516231'   
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-8


(Homo sapiens (Human))
BDBM50516231
PNG
(CHEMBL4536963)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1cc(Cl)ccn1 |r|
Show InChI InChI=1S/C23H30ClN5O5S/c1-15-5-7-17(8-6-15)35(33,34)29-19(14-20(30)28-23(2,3)4)22(32)27-12-11-26-21(31)18-13-16(24)9-10-25-18/h5-10,13,19,29H,11-12,14H2,1-4H3,(H,26,31)(H,27,32)(H,28,30)/t19-/m0/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 3.56E+3n/an/an/an/an/an/a



Weill Cornell Medicine

Curated by ChEMBL


Assay Description
Inhibition of human beta5 20S immunoproteasome using Ac-ANW-AMC as substrate


J Med Chem 62: 6137-6145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ
More data for this
Ligand-Target Pair