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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Proteasome subunit beta type-7' and Ligand = 'BDBM50007206'   
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-7


(Homo sapiens (Human))
BDBM50007206
PNG
(CHEMBL3237867)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)NCCCC(COCc1ccccc1)COCc1ccccc1)NC(C)=O |r|
Show InChI InChI=1S/C42H62BN3O7/c1-29(2)22-38(43-52-37-24-34-23-36(41(34,4)5)42(37,6)53-43)46-40(49)35(45-30(3)47)19-20-39(48)44-21-13-18-33(27-50-25-31-14-9-7-10-15-31)28-51-26-32-16-11-8-12-17-32/h7-12,14-17,29,33-38H,13,18-28H2,1-6H3,(H,44,48)(H,45,47)(H,46,49)/t34-,35-,36-,37+,38-,42-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.10n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007206
PNG
(CHEMBL3237867)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)NCCCC(COCc1ccccc1)COCc1ccccc1)NC(C)=O |r|
Show InChI InChI=1S/C42H62BN3O7/c1-29(2)22-38(43-52-37-24-34-23-36(41(34,4)5)42(37,6)53-43)46-40(49)35(45-30(3)47)19-20-39(48)44-21-13-18-33(27-50-25-31-14-9-7-10-15-31)28-51-26-32-16-11-8-12-17-32/h7-12,14-17,29,33-38H,13,18-28H2,1-6H3,(H,44,48)(H,45,47)(H,46,49)/t34-,35-,36-,37+,38-,42-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 46n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of caspase-like activity of human 20S proteasome using Ac-nLPnLD-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007206
PNG
(CHEMBL3237867)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)NCCCC(COCc1ccccc1)COCc1ccccc1)NC(C)=O |r|
Show InChI InChI=1S/C42H62BN3O7/c1-29(2)22-38(43-52-37-24-34-23-36(41(34,4)5)42(37,6)53-43)46-40(49)35(45-30(3)47)19-20-39(48)44-21-13-18-33(27-50-25-31-14-9-7-10-15-31)28-51-26-32-16-11-8-12-17-32/h7-12,14-17,29,33-38H,13,18-28H2,1-6H3,(H,44,48)(H,45,47)(H,46,49)/t34-,35-,36-,37+,38-,42-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of human 20S proteasome using Ac-RLR-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair