Found 2 hits Enz. Inhib. hit(s) with Target = 'Proteasome subunit beta type-5' and Ligand = 'BDBM50536442' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50536442
(CHEMBL4570216)Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C[C@H]1CC[C@@H](CC1)c1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r,wU:16.32,1.0,33.44,18.18,wD:5.5,46.50,21.25,(48.13,-36.86,;48.13,-38.19,;46.79,-38.97,;45.46,-38.19,;45.46,-36.65,;44.12,-38.97,;44.12,-40.51,;45.46,-41.29,;45.45,-42.83,;46.78,-43.6,;48.12,-42.83,;48.12,-41.28,;46.78,-40.51,;42.79,-38.19,;41.45,-38.97,;41.45,-40.51,;40.11,-38.2,;40.11,-36.65,;41.44,-35.88,;41.43,-34.35,;42.77,-33.58,;44.1,-34.35,;44.09,-35.89,;42.76,-36.65,;45.42,-33.59,;46.75,-34.37,;48.08,-33.61,;48.09,-32.07,;46.75,-31.3,;45.43,-32.06,;38.78,-38.97,;37.44,-38.19,;37.44,-36.65,;36.11,-38.97,;34.77,-38.19,;33.43,-38.97,;32.1,-38.2,;30.77,-38.97,;30.76,-40.51,;32.11,-41.29,;33.43,-40.51,;36.11,-40.51,;37.39,-41.37,;38.67,-42.22,;49.47,-38.97,;49.47,-40.51,;50.8,-38.19,;51.89,-39.28,;50.79,-36.64,;52.13,-37.41,)| Show InChI InChI=1S/C39H46N6O5/c1-26(35(46)39(2)25-50-39)41-36(47)32(22-27-12-6-3-7-13-27)42-37(48)33(23-29-18-20-31(21-19-29)30-16-10-5-11-17-30)43-38(49)34(44-45-40)24-28-14-8-4-9-15-28/h3-17,26,29,31-34H,18-25H2,1-2H3,(H,41,47)(H,42,48)(H,43,49)/t26-,29-,31-,32-,33-,34-,39+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden Institute of Chemistry
Curated by ChEMBL
| Assay Description
Inhibition of catalytic activity of constitutive proteasome 20s subunit beta5 in human Raji cells incubated for 1 hr by BODIPY(TMR)-NC-005-VS probe b... |
J Med Chem 59: 7177-87 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00705
BindingDB Entry DOI: 10.7270/Q2Z60SJ2 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50536442
(CHEMBL4570216)Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C[C@H]1CC[C@@H](CC1)c1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r,wU:16.32,1.0,33.44,18.18,wD:5.5,46.50,21.25,(48.13,-36.86,;48.13,-38.19,;46.79,-38.97,;45.46,-38.19,;45.46,-36.65,;44.12,-38.97,;44.12,-40.51,;45.46,-41.29,;45.45,-42.83,;46.78,-43.6,;48.12,-42.83,;48.12,-41.28,;46.78,-40.51,;42.79,-38.19,;41.45,-38.97,;41.45,-40.51,;40.11,-38.2,;40.11,-36.65,;41.44,-35.88,;41.43,-34.35,;42.77,-33.58,;44.1,-34.35,;44.09,-35.89,;42.76,-36.65,;45.42,-33.59,;46.75,-34.37,;48.08,-33.61,;48.09,-32.07,;46.75,-31.3,;45.43,-32.06,;38.78,-38.97,;37.44,-38.19,;37.44,-36.65,;36.11,-38.97,;34.77,-38.19,;33.43,-38.97,;32.1,-38.2,;30.77,-38.97,;30.76,-40.51,;32.11,-41.29,;33.43,-40.51,;36.11,-40.51,;37.39,-41.37,;38.67,-42.22,;49.47,-38.97,;49.47,-40.51,;50.8,-38.19,;51.89,-39.28,;50.79,-36.64,;52.13,-37.41,)| Show InChI InChI=1S/C39H46N6O5/c1-26(35(46)39(2)25-50-39)41-36(47)32(22-27-12-6-3-7-13-27)42-37(48)33(23-29-18-20-31(21-19-29)30-16-10-5-11-17-30)43-38(49)34(44-45-40)24-28-14-8-4-9-15-28/h3-17,26,29,31-34H,18-25H2,1-2H3,(H,41,47)(H,42,48)(H,43,49)/t26-,29-,31-,32-,33-,34-,39+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden Institute of Chemistry
Curated by ChEMBL
| Assay Description
Inhibition of catalytic activity of immunoproteasome 20s subunit beta5 in human Raji cells incubated for 1 hr by BODIPY(TMR)-NC-005-VS probe based co... |
J Med Chem 59: 7177-87 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00705
BindingDB Entry DOI: 10.7270/Q2Z60SJ2 |
More data for this
Ligand-Target Pair | |
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