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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = '20S proteasome'   
Target
(Institution)
LigandTarget
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
20S proteasome


(Saccharomyces cerevisiae s288c (Yeast))
BDBM154579
PNG
((2S)-2-[(2S)-2-hexanamido-3-methylbutanamido]-N,N-...)
Show SMILES CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
Show InChI InChI=1/C27H48N4O6/c1-9-10-11-12-21(32)30-23(18(4)5)26(36)28-19(13-14-22(33)31(7)8)25(35)29-20(15-17(2)3)24(34)27(6)16-37-27/h17-20,23H,9-16H2,1-8H3,(H,28,36)(H,29,35)(H,30,32)/t19-,20-,23-,27+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



University of California at San Diego; University of Campinas



Assay Description
One nanomolar of proteasome was incubated with different inhibitor concentrations in Tris 25 mM pH 7.5; SDS 0.03%; EDTA 0.5 mM for 15 min at 37 C in...


Chem Biol 21: 782-91 (2014)

More data for this
Ligand-Target Pair
20S proteasome


(Saccharomyces cerevisiae s288c (Yeast))
BDBM154578
PNG
(Carmaphycin A (1))
Show SMILES CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCS(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
Show InChI InChI=1/C25H45N3O6S/c1-8-9-10-11-20(29)28-21(17(4)5)24(32)26-18(12-13-35(7)33)23(31)27-19(14-16(2)3)22(30)25(6)15-34-25/h16-19,21H,8-15H2,1-7H3,(H,26,32)(H,27,31)(H,28,29)/t18-,19-,21-,25+,35?/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



University of California at San Diego; University of Campinas



Assay Description
One nanomolar of proteasome was incubated with different inhibitor concentrations in Tris 25 mM pH 7.5; SDS 0.03%; EDTA 0.5 mM for 15 min at 37 C in...


Chem Biol 21: 782-91 (2014)

More data for this
Ligand-Target Pair
20S proteasome


(Saccharomyces cerevisiae s288c (Yeast))
BDBM154578
PNG
(Carmaphycin A (1))
Show SMILES CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCS(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
Show InChI InChI=1/C25H45N3O6S/c1-8-9-10-11-20(29)28-21(17(4)5)24(32)26-18(12-13-35(7)33)23(31)27-19(14-16(2)3)22(30)25(6)15-34-25/h16-19,21H,8-15H2,1-7H3,(H,26,32)(H,27,31)(H,28,29)/t18-,19-,21-,25+,35?/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 46.2n/an/an/an/an/an/a



University of California at San Diego; University of Campinas



Assay Description
One nanomolar of proteasome was incubated with different inhibitor concentrations in Tris 25 mM pH 7.5; SDS 0.03%; EDTA 0.5 mM for 15 min at 37 C in...


Chem Biol 21: 782-91 (2014)

More data for this
Ligand-Target Pair
20S proteasome


(Saccharomyces cerevisiae s288c (Yeast))
BDBM154579
PNG
((2S)-2-[(2S)-2-hexanamido-3-methylbutanamido]-N,N-...)
Show SMILES CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
Show InChI InChI=1/C27H48N4O6/c1-9-10-11-12-21(32)30-23(18(4)5)26(36)28-19(13-14-22(33)31(7)8)25(35)29-20(15-17(2)3)24(34)27(6)16-37-27/h17-20,23H,9-16H2,1-8H3,(H,28,36)(H,29,35)(H,30,32)/t19-,20-,23-,27+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 112n/an/an/an/an/an/a



University of California at San Diego; University of Campinas



Assay Description
One nanomolar of proteasome was incubated with different inhibitor concentrations in Tris 25 mM pH 7.5; SDS 0.03%; EDTA 0.5 mM for 15 min at 37 C in...


Chem Biol 21: 782-91 (2014)

More data for this
Ligand-Target Pair
20S proteasome


(Saccharomyces cerevisiae s288c (Yeast))
BDBM154579
PNG
((2S)-2-[(2S)-2-hexanamido-3-methylbutanamido]-N,N-...)
Show SMILES CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
Show InChI InChI=1/C27H48N4O6/c1-9-10-11-12-21(32)30-23(18(4)5)26(36)28-19(13-14-22(33)31(7)8)25(35)29-20(15-17(2)3)24(34)27(6)16-37-27/h17-20,23H,9-16H2,1-8H3,(H,28,36)(H,29,35)(H,30,32)/t19-,20-,23-,27+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 165n/an/an/an/an/an/a



University of California at San Diego; University of Campinas



Assay Description
One nanomolar of proteasome was incubated with different inhibitor concentrations in Tris 25 mM pH 7.5; SDS 0.03%; EDTA 0.5 mM for 15 min at 37 C in...


Chem Biol 21: 782-91 (2014)

More data for this
Ligand-Target Pair
20S proteasome


(Saccharomyces cerevisiae s288c (Yeast))
BDBM154579
PNG
((2S)-2-[(2S)-2-hexanamido-3-methylbutanamido]-N,N-...)
Show SMILES CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
Show InChI InChI=1/C27H48N4O6/c1-9-10-11-12-21(32)30-23(18(4)5)26(36)28-19(13-14-22(33)31(7)8)25(35)29-20(15-17(2)3)24(34)27(6)16-37-27/h17-20,23H,9-16H2,1-8H3,(H,28,36)(H,29,35)(H,30,32)/t19-,20-,23-,27+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of California at San Diego; University of Campinas



Assay Description
One nanomolar of proteasome was incubated with different inhibitor concentrations in Tris 25 mM pH 7.5; SDS 0.03%; EDTA 0.5 mM for 15 min at 37 C in...


Chem Biol 21: 782-91 (2014)

More data for this
Ligand-Target Pair