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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436' and Ligand = 'BDBM50531825'   
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
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))		BDBM50531825
PNG
(CHEMBL4435814)
Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1ccon1)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/C34H48N6O7/c1-21(2)17-25(29(41)34(5)20-46-34)35-32(44)27(19-23-9-7-6-8-10-23)36-31(43)26(18-22(3)4)37-33(45)40-14-11-24(12-15-40)30(42)38-28-13-16-47-39-28/h6-10,13,16,21-22,24-27H,11-12,14-15,17-20H2,1-5H3,(H,35,44)(H,36,43)(H,37,45)(H,38,39,42)/t25-,26-,27-,34+/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.40n/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
BindingDB Entry DOI: 10.7270/Q2JM2F38
More data for this
Ligand-Target Pair