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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 = 'BDBM50531808'   
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))		BDBM50531808
PNG
(CHEMBL4467618)
Show SMILES COc1ccc(NC(=O)C2CCN(CC2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)cc1 |r|
Show InChI InChI=1S/C38H53N5O7/c1-24(2)20-30(33(44)38(5)23-50-38)40-36(47)32(22-26-10-8-7-9-11-26)41-35(46)31(21-25(3)4)42-37(48)43-18-16-27(17-19-43)34(45)39-28-12-14-29(49-6)15-13-28/h7-15,24-25,27,30-32H,16-23H2,1-6H3,(H,39,45)(H,40,47)(H,41,46)(H,42,48)/t30-,31-,32-,38+/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.80n/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