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BDBM50410896 CHEMBL383122

SMILES: CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)N(C)C)C(=O)c1nnc(o1)C(C)C

InChI Key: InChIKey=JBZDCVVFKJXPNQ-BZSNNMDCSA-N

Data: 3 KI

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 = 50410896   
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
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50410896
PNG
(CHEMBL383122)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)N(C)C)C(=O)c1nnc(o1)C(C)C
Show InChI InChI=1S/C25H45N7O7S/c1-14(2)11-17(20(34)24-30-29-23(39-24)15(3)4)28-21(35)16(5)27-22(36)18(31-40(37,38)32(9)10)12-19(33)26-13-25(6,7)8/h14-18,31H,11-13H2,1-10H3,(H,26,33)(H,27,36)(H,28,35)/t16-,17-,18-/m0/s1
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PC cid
PC sid
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Article
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38n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50410896
PNG
(CHEMBL383122)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)N(C)C)C(=O)c1nnc(o1)C(C)C
Show InChI InChI=1S/C25H45N7O7S/c1-14(2)11-17(20(34)24-30-29-23(39-24)15(3)4)28-21(35)16(5)27-22(36)18(31-40(37,38)32(9)10)12-19(33)26-13-25(6,7)8/h14-18,31H,11-13H2,1-10H3,(H,26,33)(H,27,36)(H,28,35)/t16-,17-,18-/m0/s1
PDB
MMDB

Reactome pathway
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UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>9.00E+5n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of post glutamyl peptide hydrolase-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens (Human))
BDBM50410896
PNG
(CHEMBL383122)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)N(C)C)C(=O)c1nnc(o1)C(C)C
Show InChI InChI=1S/C25H45N7O7S/c1-14(2)11-17(20(34)24-30-29-23(39-24)15(3)4)28-21(35)16(5)27-22(36)18(31-40(37,38)32(9)10)12-19(33)26-13-25(6,7)8/h14-18,31H,11-13H2,1-10H3,(H,26,33)(H,27,36)(H,28,35)/t16-,17-,18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>9.00E+5n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like proteasome activity of human 20S proteasome


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair