Found 4 hits Enz. Inhib. hit(s) with Target = 'Proteasome subunit beta type-5' and Ligand = 'BDBM50536434' 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)) | BDBM50536434
(CHEMBL4531811)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC1CCC(CC1)C1CCCCC1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r,wU:4.3,19.20,36.47,wD:8.8,49.53,(21,-19.62,;21.32,-21.04,;22.71,-21.26,;20.24,-22.03,;20.56,-23.45,;19.22,-24.22,;17.9,-23.45,;17.9,-21.91,;16.56,-24.22,;16.56,-25.76,;17.9,-26.54,;17.89,-28.08,;19.21,-28.84,;20.55,-28.08,;20.54,-26.53,;19.21,-25.76,;15.23,-23.45,;13.89,-24.22,;13.89,-25.76,;12.56,-23.46,;12.56,-21.91,;13.89,-21.14,;15.23,-21.91,;16.56,-21.15,;16.56,-19.61,;15.22,-18.83,;13.89,-19.61,;17.89,-18.83,;19.22,-19.61,;20.55,-18.83,;20.55,-17.29,;19.2,-16.53,;17.88,-17.3,;11.22,-24.22,;9.89,-23.45,;9.89,-21.91,;8.56,-24.22,;7.23,-23.45,;5.89,-24.22,;4.56,-23.46,;3.23,-24.22,;3.22,-25.76,;4.57,-26.54,;5.89,-25.76,;8.56,-25.76,;9.84,-26.62,;11.12,-27.47,;21.89,-24.22,;21.89,-25.76,;23.22,-23.44,;24.32,-24.53,;23.22,-21.9,;24.56,-22.67,)| Show InChI InChI=1S/C42H58N6O5/c1-28(2)23-34(38(49)42(3)27-53-42)44-39(50)35(24-29-13-7-4-8-14-29)45-40(51)36(25-31-19-21-33(22-20-31)32-17-11-6-12-18-32)46-41(52)37(47-48-43)26-30-15-9-5-10-16-30/h4-5,7-10,13-16,28,31-37H,6,11-12,17-27H2,1-3H3,(H,44,50)(H,45,51)(H,46,52)/t31?,33?,34-,35-,36-,37-,42+/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 | 17 | 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)) | BDBM50536434
(CHEMBL4531811)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC1CCC(CC1)C1CCCCC1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r,wU:4.3,19.20,36.47,wD:8.8,49.53,(21,-19.62,;21.32,-21.04,;22.71,-21.26,;20.24,-22.03,;20.56,-23.45,;19.22,-24.22,;17.9,-23.45,;17.9,-21.91,;16.56,-24.22,;16.56,-25.76,;17.9,-26.54,;17.89,-28.08,;19.21,-28.84,;20.55,-28.08,;20.54,-26.53,;19.21,-25.76,;15.23,-23.45,;13.89,-24.22,;13.89,-25.76,;12.56,-23.46,;12.56,-21.91,;13.89,-21.14,;15.23,-21.91,;16.56,-21.15,;16.56,-19.61,;15.22,-18.83,;13.89,-19.61,;17.89,-18.83,;19.22,-19.61,;20.55,-18.83,;20.55,-17.29,;19.2,-16.53,;17.88,-17.3,;11.22,-24.22,;9.89,-23.45,;9.89,-21.91,;8.56,-24.22,;7.23,-23.45,;5.89,-24.22,;4.56,-23.46,;3.23,-24.22,;3.22,-25.76,;4.57,-26.54,;5.89,-25.76,;8.56,-25.76,;9.84,-26.62,;11.12,-27.47,;21.89,-24.22,;21.89,-25.76,;23.22,-23.44,;24.32,-24.53,;23.22,-21.9,;24.56,-22.67,)| Show InChI InChI=1S/C42H58N6O5/c1-28(2)23-34(38(49)42(3)27-53-42)44-39(50)35(24-29-13-7-4-8-14-29)45-40(51)36(25-31-19-21-33(22-20-31)32-17-11-6-12-18-32)46-41(52)37(47-48-43)26-30-15-9-5-10-16-30/h4-5,7-10,13-16,28,31-37H,6,11-12,17-27H2,1-3H3,(H,44,50)(H,45,51)(H,46,52)/t31?,33?,34-,35-,36-,37-,42+/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 | 17 | 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)) | BDBM50536434
(CHEMBL4531811)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC1CCC(CC1)C1CCCCC1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r,wU:4.3,19.20,36.47,wD:8.8,49.53,(21,-19.62,;21.32,-21.04,;22.71,-21.26,;20.24,-22.03,;20.56,-23.45,;19.22,-24.22,;17.9,-23.45,;17.9,-21.91,;16.56,-24.22,;16.56,-25.76,;17.9,-26.54,;17.89,-28.08,;19.21,-28.84,;20.55,-28.08,;20.54,-26.53,;19.21,-25.76,;15.23,-23.45,;13.89,-24.22,;13.89,-25.76,;12.56,-23.46,;12.56,-21.91,;13.89,-21.14,;15.23,-21.91,;16.56,-21.15,;16.56,-19.61,;15.22,-18.83,;13.89,-19.61,;17.89,-18.83,;19.22,-19.61,;20.55,-18.83,;20.55,-17.29,;19.2,-16.53,;17.88,-17.3,;11.22,-24.22,;9.89,-23.45,;9.89,-21.91,;8.56,-24.22,;7.23,-23.45,;5.89,-24.22,;4.56,-23.46,;3.23,-24.22,;3.22,-25.76,;4.57,-26.54,;5.89,-25.76,;8.56,-25.76,;9.84,-26.62,;11.12,-27.47,;21.89,-24.22,;21.89,-25.76,;23.22,-23.44,;24.32,-24.53,;23.22,-21.9,;24.56,-22.67,)| Show InChI InChI=1S/C42H58N6O5/c1-28(2)23-34(38(49)42(3)27-53-42)44-39(50)35(24-29-13-7-4-8-14-29)45-40(51)36(25-31-19-21-33(22-20-31)32-17-11-6-12-18-32)46-41(52)37(47-48-43)26-30-15-9-5-10-16-30/h4-5,7-10,13-16,28,31-37H,6,11-12,17-27H2,1-3H3,(H,44,50)(H,45,51)(H,46,52)/t31?,33?,34-,35-,36-,37-,42+/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 | 437 | 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 | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50536434
(CHEMBL4531811)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC1CCC(CC1)C1CCCCC1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r,wU:4.3,19.20,36.47,wD:8.8,49.53,(21,-19.62,;21.32,-21.04,;22.71,-21.26,;20.24,-22.03,;20.56,-23.45,;19.22,-24.22,;17.9,-23.45,;17.9,-21.91,;16.56,-24.22,;16.56,-25.76,;17.9,-26.54,;17.89,-28.08,;19.21,-28.84,;20.55,-28.08,;20.54,-26.53,;19.21,-25.76,;15.23,-23.45,;13.89,-24.22,;13.89,-25.76,;12.56,-23.46,;12.56,-21.91,;13.89,-21.14,;15.23,-21.91,;16.56,-21.15,;16.56,-19.61,;15.22,-18.83,;13.89,-19.61,;17.89,-18.83,;19.22,-19.61,;20.55,-18.83,;20.55,-17.29,;19.2,-16.53,;17.88,-17.3,;11.22,-24.22,;9.89,-23.45,;9.89,-21.91,;8.56,-24.22,;7.23,-23.45,;5.89,-24.22,;4.56,-23.46,;3.23,-24.22,;3.22,-25.76,;4.57,-26.54,;5.89,-25.76,;8.56,-25.76,;9.84,-26.62,;11.12,-27.47,;21.89,-24.22,;21.89,-25.76,;23.22,-23.44,;24.32,-24.53,;23.22,-21.9,;24.56,-22.67,)| Show InChI InChI=1S/C42H58N6O5/c1-28(2)23-34(38(49)42(3)27-53-42)44-39(50)35(24-29-13-7-4-8-14-29)45-40(51)36(25-31-19-21-33(22-20-31)32-17-11-6-12-18-32)46-41(52)37(47-48-43)26-30-15-9-5-10-16-30/h4-5,7-10,13-16,28,31-37H,6,11-12,17-27H2,1-3H3,(H,44,50)(H,45,51)(H,46,52)/t31?,33?,34-,35-,36-,37-,42+/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 | 439 | 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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