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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 = 'BDBM50469762'   
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))		BDBM50469762
PNG
(CHEMBL432281)
Show SMILES COc1ccc(CNC(=O)[C@@H](NC(=O)[C@H](NCc2cc(OC)c(OC)c(OC)c2)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)Cc2cccc3ccccc23)C(C)(C)C)C(C)C)c(O)c1
Show InChI InChI=1S/C52H65N5O10/c1-31(2)44(49(61)54-30-36-22-23-37(64-6)28-40(36)58)57-50(62)45(53-29-33-25-41(65-7)47(67-9)42(26-33)66-8)46(60)39(24-32-16-11-10-12-17-32)55-51(63)48(52(3,4)5)56-43(59)27-35-20-15-19-34-18-13-14-21-38(34)35/h10-23,25-26,28,31,39,44-46,48,53,58,60H,24,27,29-30H2,1-9H3,(H,54,61)(H,55,63)(H,56,59)(H,57,62)/t39-,44-,45+,46+,48+/m0/s1
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PC cid
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UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Novartis Pharma Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of chymotrypsin like activity of purified human 20S proteasome

Bioorg Med Chem Lett 12: 1331-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00178-6
BindingDB Entry DOI: 10.7270/Q27D2XV2
More data for this
Ligand-Target Pair