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Compile Data Set for Download or QSAR

Found 3 hits 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 = 'BDBM50475039'   
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))
BDBM50475039
PNG
(CHEMBL181025 | TP-103)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cc1ccc2ccccc2c1)C(=O)NC(Cc1ccc(O)cc1)C=O
Show InChI InChI=1S/C35H37N3O6/c1-22(2)33(35(44)36-28(21-39)18-23-8-13-29(40)14-9-23)38-34(43)31(19-24-10-15-30(41)16-11-24)37-32(42)20-25-7-12-26-5-3-4-6-27(26)17-25/h3-17,21-22,28,31,33,40-41H,18-20H2,1-2H3,(H,36,44)(H,37,42)(H,38,43)/t28?,31-,33-/m0/s1
PDB

UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Numazu Bio-Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit chymotrypsin-like activity of 20S proteasome prepared from human leukemia HL-60 cells was determined


Bioorg Med Chem Lett 15: 1867-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.013
BindingDB Entry DOI: 10.7270/Q2CF9SVN
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50475039
PNG
(CHEMBL181025 | TP-103)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cc1ccc2ccccc2c1)C(=O)NC(Cc1ccc(O)cc1)C=O
Show InChI InChI=1S/C35H37N3O6/c1-22(2)33(35(44)36-28(21-39)18-23-8-13-29(40)14-9-23)38-34(43)31(19-24-10-15-30(41)16-11-24)37-32(42)20-25-7-12-26-5-3-4-6-27(26)17-25/h3-17,21-22,28,31,33,40-41H,18-20H2,1-2H3,(H,36,44)(H,37,42)(H,38,43)/t28?,31-,33-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Numazu Bio-Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit trypsin-like activity of 20S proteasome from human leukemia HL-60 cells was determined


Bioorg Med Chem Lett 15: 1867-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.013
BindingDB Entry DOI: 10.7270/Q2CF9SVN
More data for this
Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436


(Homo sapiens (Human))
BDBM50475039
PNG
(CHEMBL181025 | TP-103)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cc1ccc2ccccc2c1)C(=O)NC(Cc1ccc(O)cc1)C=O
Show InChI InChI=1S/C35H37N3O6/c1-22(2)33(35(44)36-28(21-39)18-23-8-13-29(40)14-9-23)38-34(43)31(19-24-10-15-30(41)16-11-24)37-32(42)20-25-7-12-26-5-3-4-6-27(26)17-25/h3-17,21-22,28,31,33,40-41H,18-20H2,1-2H3,(H,36,44)(H,37,42)(H,38,43)/t28?,31-,33-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



Numazu Bio-Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit the PGPH activity of 20S proteasome prepared from human leukemia HL-60 cells was determined


Bioorg Med Chem Lett 15: 1867-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.013
BindingDB Entry DOI: 10.7270/Q2CF9SVN
More data for this
Ligand-Target Pair