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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 = 'BDBM50531826'   
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))		BDBM50531826
PNG
(CHEMBL4558648)
Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1ccc(Cl)cc1)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/C37H50ClN5O6/c1-23(2)19-29(32(44)37(5)22-49-37)40-35(47)31(21-25-9-7-6-8-10-25)41-34(46)30(20-24(3)4)42-36(48)43-17-15-26(16-18-43)33(45)39-28-13-11-27(38)12-14-28/h6-14,23-24,26,29-31H,15-22H2,1-5H3,(H,39,45)(H,40,47)(H,41,46)(H,42,48)/t29-,30-,31-,37+/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.60n/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