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BDBM50430990 BELACTOSIN A

SMILES: CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(O)=O

InChI Key: InChIKey=ZSYIAUXMQLVKIL-BLTCOFLISA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50430990   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50430990
PNG
(BELACTOSIN A)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(O)=O |r|
Show InChI InChI=1S/C17H27N3O6/c1-4-7(2)12-13(26-17(12)25)15(22)19-10-5-9(10)6-11(16(23)24)20-14(21)8(3)18/h7-13H,4-6,18H2,1-3H3,(H,19,22)(H,20,21)(H,23,24)/t7-,8-,9-,10-,11-,12-,13+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 1.40E+3n/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-5


(Homo sapiens (Human))
BDBM50430990
PNG
(BELACTOSIN A)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(O)=O |r|
Show InChI InChI=1S/C17H27N3O6/c1-4-7(2)12-13(26-17(12)25)15(22)19-10-5-9(10)6-11(16(23)24)20-14(21)8(3)18/h7-13H,4-6,18H2,1-3H3,(H,19,22)(H,20,21)(H,23,24)/t7-,8-,9-,10-,11-,12-,13+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.44E+3n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50430990
PNG
(BELACTOSIN A)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(O)=O |r|
Show InChI InChI=1S/C17H27N3O6/c1-4-7(2)12-13(26-17(12)25)15(22)19-10-5-9(10)6-11(16(23)24)20-14(21)8(3)18/h7-13H,4-6,18H2,1-3H3,(H,19,22)(H,20,21)(H,23,24)/t7-,8-,9-,10-,11-,12-,13+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 1.44E+3n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


Bioorg Med Chem 22: 3091-5 (2014)


Article DOI: 10.1016/j.bmc.2014.04.032
BindingDB Entry DOI: 10.7270/Q26T0P6Q
More data for this
Ligand-Target Pair