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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Proteasome subunit beta type-9' and Ligand = 'BDBM50526813'   
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
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50526813
PNG
(CHEMBL4465456)
Show SMILES CC(C)C[C@H](NC(=O)CN1CCCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C35H48N4O5/c1-25(2)20-29(36-31(40)23-39-18-12-4-5-13-19-39)33(42)38-30(22-27-16-10-7-11-17-27)34(43)37-28(32(41)35(3)24-44-35)21-26-14-8-6-9-15-26/h6-11,14-17,25,28-30H,4-5,12-13,18-24H2,1-3H3,(H,36,40)(H,37,43)(H,38,42)/t28-,29-,30-,35+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 415n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human MOLT4 cells by ELISA


J Med Chem 61: 11127-11143 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01201
BindingDB Entry DOI: 10.7270/Q2M61PQB
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Mus musculus)
BDBM50526813
PNG
(CHEMBL4465456)
Show SMILES CC(C)C[C@H](NC(=O)CN1CCCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C35H48N4O5/c1-25(2)20-29(36-31(40)23-39-18-12-4-5-13-19-39)33(42)38-30(22-27-16-10-7-11-17-27)34(43)37-28(32(41)35(3)24-44-35)21-26-14-8-6-9-15-26/h6-11,14-17,25,28-30H,4-5,12-13,18-24H2,1-3H3,(H,36,40)(H,37,43)(H,38,42)/t28-,29-,30-,35+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 415n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in mouse A20 cells by ELISA


J Med Chem 61: 11127-11143 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01201
BindingDB Entry DOI: 10.7270/Q2M61PQB
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Mus musculus)
BDBM50526813
PNG
(CHEMBL4465456)
Show SMILES CC(C)C[C@H](NC(=O)CN1CCCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C35H48N4O5/c1-25(2)20-29(36-31(40)23-39-18-12-4-5-13-19-39)33(42)38-30(22-27-16-10-7-11-17-27)34(43)37-28(32(41)35(3)24-44-35)21-26-14-8-6-9-15-26/h6-11,14-17,25,28-30H,4-5,12-13,18-24H2,1-3H3,(H,36,40)(H,37,43)(H,38,42)/t28-,29-,30-,35+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 415n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in mouse A20 cells by ELISA


J Med Chem 61: 11127-11143 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01201
BindingDB Entry DOI: 10.7270/Q2M61PQB
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50526813
PNG
(CHEMBL4465456)
Show SMILES CC(C)C[C@H](NC(=O)CN1CCCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C35H48N4O5/c1-25(2)20-29(36-31(40)23-39-18-12-4-5-13-19-39)33(42)38-30(22-27-16-10-7-11-17-27)34(43)37-28(32(41)35(3)24-44-35)21-26-14-8-6-9-15-26/h6-11,14-17,25,28-30H,4-5,12-13,18-24H2,1-3H3,(H,36,40)(H,37,43)(H,38,42)/t28-,29-,30-,35+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 415n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human MOLT4 cells by ELISA


J Med Chem 61: 11127-11143 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01201
BindingDB Entry DOI: 10.7270/Q2M61PQB
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50526813
PNG
(CHEMBL4465456)
Show SMILES CC(C)C[C@H](NC(=O)CN1CCCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C35H48N4O5/c1-25(2)20-29(36-31(40)23-39-18-12-4-5-13-19-39)33(42)38-30(22-27-16-10-7-11-17-27)34(43)37-28(32(41)35(3)24-44-35)21-26-14-8-6-9-15-26/h6-11,14-17,25,28-30H,4-5,12-13,18-24H2,1-3H3,(H,36,40)(H,37,43)(H,38,42)/t28-,29-,30-,35+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 425n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta 1i (unknown origin)


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111646
BindingDB Entry DOI: 10.7270/Q2154MHB
More data for this
Ligand-Target Pair