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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for entry = 50046697   
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
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50126170
PNG
(CHEMBL3629678)
Show SMILES CCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1\C=C\CCNC(=O)\C=C\[C@@H](NC1=O)C(C)C
Show InChI InChI=1S/C32H48N4O4/c1-4-5-6-7-8-9-13-19-30(38)34-28(23-25-16-11-10-12-17-25)32(40)36-27-18-14-15-22-33-29(37)21-20-26(24(2)3)35-31(27)39/h10-12,14,16-18,20-21,24,26-28H,4-9,13,15,19,22-23H2,1-3H3,(H,33,37)(H,34,38)(H,35,39)(H,36,40)/b18-14+,21-20+/t26-,27+,28+/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
0.140n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of proteasome beta-5 (unknown origin)


Bioorg Med Chem Lett 25: 4872-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.015
BindingDB Entry DOI: 10.7270/Q2028TBR
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50126171
PNG
(CHEBI:80033 | CHEMBL1236043)
Show SMILES CC(C)[C@H](NC(=O)N[C@@H](C(C)C)C(=O)N[C@H]1\C=C\CCNC(=O)\C=C\[C@@H](NC1=O)C(C)C)C(O)=O
Show InChI InChI=1S/C24H39N5O6/c1-13(2)16-10-11-18(30)25-12-8-7-9-17(21(31)26-16)27-22(32)19(14(3)4)28-24(35)29-20(15(5)6)23(33)34/h7,9-11,13-17,19-20H,8,12H2,1-6H3,(H,25,30)(H,26,31)(H,27,32)(H,33,34)(H2,28,29,35)/b9-7+,11-10+/t16-,17+,19+,20+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
843n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of proteasome beta-5 (unknown origin)


Bioorg Med Chem Lett 25: 4872-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.015
BindingDB Entry DOI: 10.7270/Q2028TBR
More data for this
Ligand-Target Pair