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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 = 'BDBM50514366'   
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))		BDBM50514366
PNG
(CHEMBL4447701)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C=O |r|
Show InChI InChI=1S/C32H44N4O6/c1-20(2)15-25(19-37)34-30(40)29(17-23-9-7-6-8-10-23)36-31(41)27(16-21(3)4)35-32(42)28(33-22(5)38)18-24-11-13-26(39)14-12-24/h6-14,19-21,25,27-29,39H,15-18H2,1-5H3,(H,33,38)(H,34,40)(H,35,42)(H,36,41)/t25-,27-,28-,29-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.40n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome using Suc-LLVY-AMC as substrate measured every 5 mins for 120 mins by fluorescence based assay

J Med Chem 63: 334-348 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01694
BindingDB Entry DOI: 10.7270/Q2XG9VGV
More data for this
Ligand-Target Pair