Found 115 hits Enz. Inhib. hit(s) with all data for entry = 50002386 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)) | BDBM50069989
((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r| Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Proteasome subunit beta type-1
(Homo sapiens (Human)) | BDBM50069989
((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r| Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of PGPH activity of human 26S proteasome using Z-LLE-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50432548
(LACTACYSTIN)Show SMILES CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@@H]1O)C(=O)SC[C@H](NC(C)=O)C(O)=O |r| Show InChI InChI=1S/C15H24N2O7S/c1-6(2)10(19)15(11(20)7(3)12(21)17-15)14(24)25-5-9(13(22)23)16-8(4)18/h6-7,9-11,19-20H,5H2,1-4H3,(H,16,18)(H,17,21)(H,22,23)/t7-,9+,10+,11+,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-2
(Homo sapiens (Human)) | BDBM50458013
(CHEMBL4215864)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C77H126N28O10/c1-2-56(64(50-26-30-54(31-27-50)114-46-44-104-40-7-3-4-8-41-104)51-28-32-55(33-29-51)115-47-45-105-42-9-5-6-10-43-105)52-18-11-19-53(48-52)66(108)97-49-63(106)98-58(21-13-35-92-73(81)82)67(109)100-60(23-15-37-94-75(85)86)69(111)102-62(25-17-39-96-77(89)90)71(113)103-61(24-16-38-95-76(87)88)70(112)101-59(22-14-36-93-74(83)84)68(110)99-57(65(78)107)20-12-34-91-72(79)80/h11,18-19,26-33,48,57-62H,2-10,12-17,20-25,34-47,49H2,1H3,(H2,78,107)(H,97,108)(H,98,106)(H,99,110)(H,100,109)(H,101,112)(H,102,111)(H,103,113)(H4,79,80,91)(H4,81,82,92)(H4,83,84,93)(H4,85,86,94)(H4,87,88,95)(H4,89,90,96)/t57-,58-,59-,60-,61-,62-/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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of trypsin-like activity of human 20S proteasome using Boc-LRR-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-1
(Homo sapiens (Human)) | BDBM50458009
(CHEMBL4205518)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6](-[#6])=O)c1 |r| Show InChI InChI=1S/C69H98N8O9/c1-9-59(64(53-23-29-57(30-24-53)85-39-37-76-33-14-10-11-15-34-76)54-25-31-58(32-26-54)86-40-38-77-35-16-12-13-17-36-77)55-20-18-19-52(43-55)45-71-63(80)46-70-60(41-47(2)3)66(81)73-61(42-48(4)5)68(83)75-65(49(6)7)69(84)74-62(67(82)72-50(8)78)44-51-21-27-56(79)28-22-51/h18-32,43,47-49,60-62,65,70,79H,9-17,33-42,44-46H2,1-8H3,(H,71,80)(H,73,81)(H,74,84)(H,75,83)(H,72,78,82)/t60-,61-,62-,65-/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 | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of PGPH activity of human 20S proteasome using Z-LLE-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-2
(Homo sapiens (Human)) | BDBM50458008
(CHEMBL4204198)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C65H102N20O8/c1-2-50(56(44-22-26-48(27-23-44)92-40-38-84-34-7-3-4-8-35-84)45-24-28-49(29-25-45)93-41-39-85-36-9-5-6-10-37-85)46-16-11-17-47(42-46)58(88)79-43-55(86)80-52(19-13-31-76-63(69)70)59(89)82-54(21-15-33-78-65(73)74)61(91)83-53(20-14-32-77-64(71)72)60(90)81-51(57(66)87)18-12-30-75-62(67)68/h11,16-17,22-29,42,51-54H,2-10,12-15,18-21,30-41,43H2,1H3,(H2,66,87)(H,79,88)(H,80,86)(H,81,90)(H,82,89)(H,83,91)(H4,67,68,75)(H4,69,70,76)(H4,71,72,77)(H4,73,74,78)/t51-,52-,53-,54-/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 | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of trypsin-like activity of human 20S proteasome using Boc-LRR-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50458009
(CHEMBL4205518)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6](-[#6])=O)c1 |r| Show InChI InChI=1S/C69H98N8O9/c1-9-59(64(53-23-29-57(30-24-53)85-39-37-76-33-14-10-11-15-34-76)54-25-31-58(32-26-54)86-40-38-77-35-16-12-13-17-36-77)55-20-18-19-52(43-55)45-71-63(80)46-70-60(41-47(2)3)66(81)73-61(42-48(4)5)68(83)75-65(49(6)7)69(84)74-62(67(82)72-50(8)78)44-51-21-27-56(79)28-22-51/h18-32,43,47-49,60-62,65,70,79H,9-17,33-42,44-46H2,1-8H3,(H,71,80)(H,73,81)(H,74,84)(H,75,83)(H,72,78,82)/t60-,61-,62-,65-/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 | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-1
(Homo sapiens (Human)) | BDBM50069989
((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r| Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of PGPH activity of human 20S proteasome using Z-LLE-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Proteasome subunit beta type-1
(Homo sapiens (Human)) | BDBM50444909
(CHEMBL3099618)Show SMILES [#6]-[#6]\[#6](=[#6](/c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccccc1 Show InChI InChI=1S/C38H50N2O2/c1-2-37(32-14-8-7-9-15-32)38(33-16-20-35(21-17-33)41-30-28-39-24-10-3-4-11-25-39)34-18-22-36(23-19-34)42-31-29-40-26-12-5-6-13-27-40/h7-9,14-23H,2-6,10-13,24-31H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of PGPH activity of human 20S proteasome using Z-LLE-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50458004
(CHEMBL4210397)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r| Show InChI InChI=1S/C71H100N10O11/c1-8-58(65(51-22-28-56(29-23-51)91-38-36-80-32-13-9-10-14-33-80)52-24-30-57(31-25-52)92-39-37-81-34-15-11-12-16-35-81)53-18-17-19-54(43-53)67(86)74-46-64(85)76-59(40-47(2)3)69(88)77-60(41-48(4)5)70(89)79-66(49(6)7)71(90)78-61(42-50-20-26-55(82)27-21-50)68(87)75-45-63(84)73-44-62(72)83/h17-31,43,47-49,59-61,66,82H,8-16,32-42,44-46H2,1-7H3,(H2,72,83)(H,73,84)(H,74,86)(H,75,87)(H,76,85)(H,77,88)(H,78,90)(H,79,89)/t59-,60-,61-,66-/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 | 890 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-1
(Homo sapiens (Human)) | BDBM50458007
(CHEMBL4209883)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r| Show InChI InChI=1S/C67H99N11O11/c1-8-54(63(48-20-24-52(25-21-48)88-34-32-77-28-13-9-10-14-29-77)49-22-26-53(27-23-49)89-35-33-78-30-15-11-12-16-31-78)50-18-17-19-51(39-50)64(84)72-44-62(83)74-56(37-46(4)5)66(86)76-57(38-47(6)7)67(87)75-55(36-45(2)3)65(85)73-43-61(82)71-42-60(81)70-41-59(80)69-40-58(68)79/h17-27,39,45-47,55-57H,8-16,28-38,40-44H2,1-7H3,(H2,68,79)(H,69,80)(H,70,81)(H,71,82)(H,72,84)(H,73,85)(H,74,83)(H,75,87)(H,76,86)/t55-,56-,57-/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 | 890 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of PGPH activity of human 20S proteasome using Z-LLE-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-1
(Homo sapiens (Human)) | BDBM50458014
(CHEMBL4206039)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O |r| Show InChI InChI=1S/C67H94N8O9/c1-8-56(61(49-22-28-54(29-23-49)83-38-36-74-32-13-9-10-14-33-74)50-24-30-55(31-25-50)84-39-37-75-34-15-11-12-16-35-75)51-18-17-19-52(43-51)64(79)69-44-60(77)70-58(40-45(2)3)65(80)72-59(41-46(4)5)66(81)73-62(47(6)7)67(82)71-57(63(68)78)42-48-20-26-53(76)27-21-48/h17-31,43,45-47,57-59,62,76H,8-16,32-42,44H2,1-7H3,(H2,68,78)(H,69,79)(H,70,77)(H,71,82)(H,72,80)(H,73,81)/t57-,58-,59-,62-/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 | 890 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of PGPH activity of human 20S proteasome using Z-LLE-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50458014
(CHEMBL4206039)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O |r| Show InChI InChI=1S/C67H94N8O9/c1-8-56(61(49-22-28-54(29-23-49)83-38-36-74-32-13-9-10-14-33-74)50-24-30-55(31-25-50)84-39-37-75-34-15-11-12-16-35-75)51-18-17-19-52(43-51)64(79)69-44-60(77)70-58(40-45(2)3)65(80)72-59(41-46(4)5)66(81)73-62(47(6)7)67(82)71-57(63(68)78)42-48-20-26-53(76)27-21-48/h17-31,43,45-47,57-59,62,76H,8-16,32-42,44H2,1-7H3,(H2,68,78)(H,69,79)(H,70,77)(H,71,82)(H,72,80)(H,73,81)/t57-,58-,59-,62-/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 | 890 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-1
(Homo sapiens (Human)) | BDBM50458004
(CHEMBL4210397)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r| Show InChI InChI=1S/C71H100N10O11/c1-8-58(65(51-22-28-56(29-23-51)91-38-36-80-32-13-9-10-14-33-80)52-24-30-57(31-25-52)92-39-37-81-34-15-11-12-16-35-81)53-18-17-19-54(43-53)67(86)74-46-64(85)76-59(40-47(2)3)69(88)77-60(41-48(4)5)70(89)79-66(49(6)7)71(90)78-61(42-50-20-26-55(82)27-21-50)68(87)75-45-63(84)73-44-62(72)83/h17-31,43,47-49,59-61,66,82H,8-16,32-42,44-46H2,1-7H3,(H2,72,83)(H,73,84)(H,74,86)(H,75,87)(H,76,85)(H,77,88)(H,78,90)(H,79,89)/t59-,60-,61-,66-/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 | 990 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of PGPH activity of human 20S proteasome using Z-LLE-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50444909
(CHEMBL3099618)Show SMILES [#6]-[#6]\[#6](=[#6](/c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccccc1 Show InChI InChI=1S/C38H50N2O2/c1-2-37(32-14-8-7-9-15-32)38(33-16-20-35(21-17-33)41-30-28-39-24-10-3-4-11-25-39)34-18-22-36(23-19-34)42-31-29-40-26-12-5-6-13-27-40/h7-9,14-23H,2-6,10-13,24-31H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50458007
(CHEMBL4209883)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r| Show InChI InChI=1S/C67H99N11O11/c1-8-54(63(48-20-24-52(25-21-48)88-34-32-77-28-13-9-10-14-29-77)49-22-26-53(27-23-49)89-35-33-78-30-15-11-12-16-31-78)50-18-17-19-51(39-50)64(84)72-44-62(83)74-56(37-46(4)5)66(86)76-57(38-47(6)7)67(87)75-55(36-45(2)3)65(85)73-43-61(82)71-42-60(81)70-41-59(80)69-40-58(68)79/h17-27,39,45-47,55-57H,8-16,28-38,40-44H2,1-7H3,(H2,68,79)(H,69,80)(H,70,81)(H,71,82)(H,72,84)(H,73,85)(H,74,83)(H,75,87)(H,76,86)/t55-,56-,57-/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 | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-2
(Homo sapiens (Human)) | BDBM50458012
(CHEMBL4212401)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C89H150N36O12/c1-2-62(72(56-30-34-60(35-31-56)136-52-50-124-46-7-3-4-8-47-124)57-32-36-61(37-33-57)137-53-51-125-48-9-5-6-10-49-125)58-20-11-21-59(54-58)74(128)115-55-71(126)116-64(23-13-39-108-83(93)94)75(129)118-66(25-15-41-110-85(97)98)77(131)120-68(27-17-43-112-87(101)102)79(133)122-70(29-19-45-114-89(105)106)81(135)123-69(28-18-44-113-88(103)104)80(134)121-67(26-16-42-111-86(99)100)78(132)119-65(24-14-40-109-84(95)96)76(130)117-63(73(90)127)22-12-38-107-82(91)92/h11,20-21,30-37,54,63-70H,2-10,12-19,22-29,38-53,55H2,1H3,(H2,90,127)(H,115,128)(H,116,126)(H,117,130)(H,118,129)(H,119,132)(H,120,131)(H,121,134)(H,122,133)(H,123,135)(H4,91,92,107)(H4,93,94,108)(H4,95,96,109)(H4,97,98,110)(H4,99,100,111)(H4,101,102,112)(H4,103,104,113)(H4,105,106,114)/t63-,64-,65-,66-,67-,68-,69-,70-/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 | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of trypsin-like activity of human 20S proteasome using Boc-LRR-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-2
(Homo sapiens (Human)) | BDBM50069989
((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r| Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 1.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of trypsin-like activity of human 20S proteasome using Boc-LRR-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50458010
(CHEMBL4217338)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6](-[#6])=O |r| Show InChI InChI=1S/C91H152N36O13/c1-3-64(74(58-31-35-62(36-32-58)139-53-51-126-47-8-4-5-9-48-126)59-33-37-63(38-34-59)140-54-52-127-49-10-6-7-11-50-127)60-21-12-22-61(55-60)75(130)116-56-73(129)118-65(23-13-39-108-84(92)93)77(132)120-67(25-15-41-110-86(96)97)79(134)122-69(27-17-43-112-88(100)101)81(136)124-71(29-19-45-114-90(104)105)83(138)125-72(30-20-46-115-91(106)107)82(137)123-70(28-18-44-113-89(102)103)80(135)121-68(26-16-42-111-87(98)99)78(133)119-66(76(131)117-57(2)128)24-14-40-109-85(94)95/h12,21-22,31-38,55,65-72H,3-11,13-20,23-30,39-54,56H2,1-2H3,(H,116,130)(H,118,129)(H,119,133)(H,120,132)(H,121,135)(H,122,134)(H,123,137)(H,124,136)(H,125,138)(H4,92,93,108)(H4,94,95,109)(H4,96,97,110)(H4,98,99,111)(H4,100,101,112)(H4,102,103,113)(H4,104,105,114)(H4,106,107,115)(H,117,128,131)/t65-,66-,67-,68-,69-,70-,71-,72-/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 | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of chymotrypsin-like activity of 26S proteasome in human KMS11 cells using Suc-LLVY-MCA as substrate after 24 to 48 hrs by luminescence-ba... |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50458010
(CHEMBL4217338)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6](-[#6])=O |r| Show InChI InChI=1S/C91H152N36O13/c1-3-64(74(58-31-35-62(36-32-58)139-53-51-126-47-8-4-5-9-48-126)59-33-37-63(38-34-59)140-54-52-127-49-10-6-7-11-50-127)60-21-12-22-61(55-60)75(130)116-56-73(129)118-65(23-13-39-108-84(92)93)77(132)120-67(25-15-41-110-86(96)97)79(134)122-69(27-17-43-112-88(100)101)81(136)124-71(29-19-45-114-90(104)105)83(138)125-72(30-20-46-115-91(106)107)82(137)123-70(28-18-44-113-89(102)103)80(135)121-68(26-16-42-111-87(98)99)78(133)119-66(76(131)117-57(2)128)24-14-40-109-85(94)95/h12,21-22,31-38,55,65-72H,3-11,13-20,23-30,39-54,56H2,1-2H3,(H,116,130)(H,118,129)(H,119,133)(H,120,132)(H,121,135)(H,122,134)(H,123,137)(H,124,136)(H,125,138)(H4,92,93,108)(H4,94,95,109)(H4,96,97,110)(H4,98,99,111)(H4,100,101,112)(H4,102,103,113)(H4,104,105,114)(H4,106,107,115)(H,117,128,131)/t65-,66-,67-,68-,69-,70-,71-,72-/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 | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of chymotrypsin-like activity of 26S proteasome in human RPMI8226 cells using Suc-LLVY-MCA as substrate after 24 to 48 hrs by luminescence... |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50069989
((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r| Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of chymotrypsin-like activity of human 26S proteasome using Suc-LLVY-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50458012
(CHEMBL4212401)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C89H150N36O12/c1-2-62(72(56-30-34-60(35-31-56)136-52-50-124-46-7-3-4-8-47-124)57-32-36-61(37-33-57)137-53-51-125-48-9-5-6-10-49-125)58-20-11-21-59(54-58)74(128)115-55-71(126)116-64(23-13-39-108-83(93)94)75(129)118-66(25-15-41-110-85(97)98)77(131)120-68(27-17-43-112-87(101)102)79(133)122-70(29-19-45-114-89(105)106)81(135)123-69(28-18-44-113-88(103)104)80(134)121-67(26-16-42-111-86(99)100)78(132)119-65(24-14-40-109-84(95)96)76(130)117-63(73(90)127)22-12-38-107-82(91)92/h11,20-21,30-37,54,63-70H,2-10,12-19,22-29,38-53,55H2,1H3,(H2,90,127)(H,115,128)(H,116,126)(H,117,130)(H,118,129)(H,119,132)(H,120,131)(H,121,134)(H,122,133)(H,123,135)(H4,91,92,107)(H4,93,94,108)(H4,95,96,109)(H4,97,98,110)(H4,99,100,111)(H4,101,102,112)(H4,103,104,113)(H4,105,106,114)/t63-,64-,65-,66-,67-,68-,69-,70-/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 | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of chymotrypsin-like activity of human 26S proteasome using Z-LLE-MCA as substrate measured for 1 hr in presence of ATPgammaS by fluoresce... |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-1
(Homo sapiens (Human)) | BDBM50458010
(CHEMBL4217338)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6](-[#6])=O |r| Show InChI InChI=1S/C91H152N36O13/c1-3-64(74(58-31-35-62(36-32-58)139-53-51-126-47-8-4-5-9-48-126)59-33-37-63(38-34-59)140-54-52-127-49-10-6-7-11-50-127)60-21-12-22-61(55-60)75(130)116-56-73(129)118-65(23-13-39-108-84(92)93)77(132)120-67(25-15-41-110-86(96)97)79(134)122-69(27-17-43-112-88(100)101)81(136)124-71(29-19-45-114-90(104)105)83(138)125-72(30-20-46-115-91(106)107)82(137)123-70(28-18-44-113-89(102)103)80(135)121-68(26-16-42-111-87(98)99)78(133)119-66(76(131)117-57(2)128)24-14-40-109-85(94)95/h12,21-22,31-38,55,65-72H,3-11,13-20,23-30,39-54,56H2,1-2H3,(H,116,130)(H,118,129)(H,119,133)(H,120,132)(H,121,135)(H,122,134)(H,123,137)(H,124,136)(H,125,138)(H4,92,93,108)(H4,94,95,109)(H4,96,97,110)(H4,98,99,111)(H4,100,101,112)(H4,102,103,113)(H4,104,105,114)(H4,106,107,115)(H,117,128,131)/t65-,66-,67-,68-,69-,70-,71-,72-/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 | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of PGPH-like activity of 26S proteasome in human KMS11 cells using Z-LLE-MCA as substrate after 24 to 48 hrs by luminescence-based assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-1
(Homo sapiens (Human)) | BDBM50458010
(CHEMBL4217338)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6](-[#6])=O |r| Show InChI InChI=1S/C91H152N36O13/c1-3-64(74(58-31-35-62(36-32-58)139-53-51-126-47-8-4-5-9-48-126)59-33-37-63(38-34-59)140-54-52-127-49-10-6-7-11-50-127)60-21-12-22-61(55-60)75(130)116-56-73(129)118-65(23-13-39-108-84(92)93)77(132)120-67(25-15-41-110-86(96)97)79(134)122-69(27-17-43-112-88(100)101)81(136)124-71(29-19-45-114-90(104)105)83(138)125-72(30-20-46-115-91(106)107)82(137)123-70(28-18-44-113-89(102)103)80(135)121-68(26-16-42-111-87(98)99)78(133)119-66(76(131)117-57(2)128)24-14-40-109-85(94)95/h12,21-22,31-38,55,65-72H,3-11,13-20,23-30,39-54,56H2,1-2H3,(H,116,130)(H,118,129)(H,119,133)(H,120,132)(H,121,135)(H,122,134)(H,123,137)(H,124,136)(H,125,138)(H4,92,93,108)(H4,94,95,109)(H4,96,97,110)(H4,98,99,111)(H4,100,101,112)(H4,102,103,113)(H4,104,105,114)(H4,106,107,115)(H,117,128,131)/t65-,66-,67-,68-,69-,70-,71-,72-/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 | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of PGPH-like activity of 26S proteasome in human RPMI8226 cells using Z-LLE-MCA as substrate after 24 to 48 hrs by luminescence-based assa... |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-2
(Homo sapiens (Human)) | BDBM50458006
(CHEMBL4213348)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6](-[#6])=O)c1 |r| Show InChI InChI=1S/C79H130N28O10/c1-3-59(67(54-27-31-57(32-28-54)116-47-45-106-41-8-4-5-9-42-106)55-29-33-58(34-30-55)117-48-46-107-43-10-6-7-11-44-107)56-20-12-19-53(49-56)50-99-66(109)51-98-60(21-13-35-92-74(80)81)68(110)101-62(23-15-37-94-76(84)85)70(112)103-64(25-17-39-96-78(88)89)72(114)105-65(26-18-40-97-79(90)91)73(115)104-63(24-16-38-95-77(86)87)71(113)102-61(69(111)100-52(2)108)22-14-36-93-75(82)83/h12,19-20,27-34,49,60-65,98H,3-11,13-18,21-26,35-48,50-51H2,1-2H3,(H,99,109)(H,101,110)(H,102,113)(H,103,112)(H,104,115)(H,105,114)(H4,80,81,92)(H4,82,83,93)(H4,84,85,94)(H4,86,87,95)(H4,88,89,96)(H4,90,91,97)(H,100,108,111)/t60-,61-,62-,63-,64-,65-/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 | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of trypsin-like activity of human 20S proteasome using Boc-LRR-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-2
(Homo sapiens (Human)) | BDBM50432548
(LACTACYSTIN)Show SMILES CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@@H]1O)C(=O)SC[C@H](NC(C)=O)C(O)=O |r| Show InChI InChI=1S/C15H24N2O7S/c1-6(2)10(19)15(11(20)7(3)12(21)17-15)14(24)25-5-9(13(22)23)16-8(4)18/h6-7,9-11,19-20H,5H2,1-4H3,(H,16,18)(H,17,21)(H,22,23)/t7-,9+,10+,11+,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of trypsin-like activity of human 20S proteasome using Boc-LRR-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-1
(Homo sapiens (Human)) | BDBM50458006
(CHEMBL4213348)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6](-[#6])=O)c1 |r| Show InChI InChI=1S/C79H130N28O10/c1-3-59(67(54-27-31-57(32-28-54)116-47-45-106-41-8-4-5-9-42-106)55-29-33-58(34-30-55)117-48-46-107-43-10-6-7-11-44-107)56-20-12-19-53(49-56)50-99-66(109)51-98-60(21-13-35-92-74(80)81)68(110)101-62(23-15-37-94-76(84)85)70(112)103-64(25-17-39-96-78(88)89)72(114)105-65(26-18-40-97-79(90)91)73(115)104-63(24-16-38-95-77(86)87)71(113)102-61(69(111)100-52(2)108)22-14-36-93-75(82)83/h12,19-20,27-34,49,60-65,98H,3-11,13-18,21-26,35-48,50-51H2,1-2H3,(H,99,109)(H,101,110)(H,102,113)(H,103,112)(H,104,115)(H,105,114)(H4,80,81,92)(H4,82,83,93)(H4,84,85,94)(H4,86,87,95)(H4,88,89,96)(H4,90,91,97)(H,100,108,111)/t60-,61-,62-,63-,64-,65-/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 | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of PGPH activity of human 20S proteasome using Z-LLE-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-2
(Homo sapiens (Human)) | BDBM50458010
(CHEMBL4217338)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6](-[#6])=O |r| Show InChI InChI=1S/C91H152N36O13/c1-3-64(74(58-31-35-62(36-32-58)139-53-51-126-47-8-4-5-9-48-126)59-33-37-63(38-34-59)140-54-52-127-49-10-6-7-11-50-127)60-21-12-22-61(55-60)75(130)116-56-73(129)118-65(23-13-39-108-84(92)93)77(132)120-67(25-15-41-110-86(96)97)79(134)122-69(27-17-43-112-88(100)101)81(136)124-71(29-19-45-114-90(104)105)83(138)125-72(30-20-46-115-91(106)107)82(137)123-70(28-18-44-113-89(102)103)80(135)121-68(26-16-42-111-87(98)99)78(133)119-66(76(131)117-57(2)128)24-14-40-109-85(94)95/h12,21-22,31-38,55,65-72H,3-11,13-20,23-30,39-54,56H2,1-2H3,(H,116,130)(H,118,129)(H,119,133)(H,120,132)(H,121,135)(H,122,134)(H,123,137)(H,124,136)(H,125,138)(H4,92,93,108)(H4,94,95,109)(H4,96,97,110)(H4,98,99,111)(H4,100,101,112)(H4,102,103,113)(H4,104,105,114)(H4,106,107,115)(H,117,128,131)/t65-,66-,67-,68-,69-,70-,71-,72-/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 | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of trypsin-like activity of human 20S proteasome using Boc-LRR-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-2
(Homo sapiens (Human)) | BDBM50458003
(CHEMBL4218282)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6](-[#6])=O)c1 |r| Show InChI InChI=1S/C67H106N20O8/c1-3-53(59(48-23-27-51(28-24-48)94-41-39-86-35-8-4-5-9-36-86)49-25-29-52(30-26-49)95-42-40-87-37-10-6-7-11-38-87)50-18-12-17-47(43-50)44-81-58(89)45-80-54(19-13-31-76-64(68)69)60(90)83-56(21-15-33-78-66(72)73)62(92)85-57(22-16-34-79-67(74)75)63(93)84-55(61(91)82-46(2)88)20-14-32-77-65(70)71/h12,17-18,23-30,43,54-57,80H,3-11,13-16,19-22,31-42,44-45H2,1-2H3,(H,81,89)(H,83,90)(H,84,93)(H,85,92)(H4,68,69,76)(H4,70,71,77)(H4,72,73,78)(H4,74,75,79)(H,82,88,91)/t54-,55-,56-,57-/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 | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of trypsin-like activity of human 20S proteasome using Boc-LRR-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-2
(Homo sapiens (Human)) | BDBM50458007
(CHEMBL4209883)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r| Show InChI InChI=1S/C67H99N11O11/c1-8-54(63(48-20-24-52(25-21-48)88-34-32-77-28-13-9-10-14-29-77)49-22-26-53(27-23-49)89-35-33-78-30-15-11-12-16-31-78)50-18-17-19-51(39-50)64(84)72-44-62(83)74-56(37-46(4)5)66(86)76-57(38-47(6)7)67(87)75-55(36-45(2)3)65(85)73-43-61(82)71-42-60(81)70-41-59(80)69-40-58(68)79/h17-27,39,45-47,55-57H,8-16,28-38,40-44H2,1-7H3,(H2,68,79)(H,69,80)(H,70,81)(H,71,82)(H,72,84)(H,73,85)(H,74,83)(H,75,87)(H,76,86)/t55-,56-,57-/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 | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of trypsin-like activity of human 20S proteasome using Boc-LRR-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-2
(Homo sapiens (Human)) | BDBM50458010
(CHEMBL4217338)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6](-[#6])=O |r| Show InChI InChI=1S/C91H152N36O13/c1-3-64(74(58-31-35-62(36-32-58)139-53-51-126-47-8-4-5-9-48-126)59-33-37-63(38-34-59)140-54-52-127-49-10-6-7-11-50-127)60-21-12-22-61(55-60)75(130)116-56-73(129)118-65(23-13-39-108-84(92)93)77(132)120-67(25-15-41-110-86(96)97)79(134)122-69(27-17-43-112-88(100)101)81(136)124-71(29-19-45-114-90(104)105)83(138)125-72(30-20-46-115-91(106)107)82(137)123-70(28-18-44-113-89(102)103)80(135)121-68(26-16-42-111-87(98)99)78(133)119-66(76(131)117-57(2)128)24-14-40-109-85(94)95/h12,21-22,31-38,55,65-72H,3-11,13-20,23-30,39-54,56H2,1-2H3,(H,116,130)(H,118,129)(H,119,133)(H,120,132)(H,121,135)(H,122,134)(H,123,137)(H,124,136)(H,125,138)(H4,92,93,108)(H4,94,95,109)(H4,96,97,110)(H4,98,99,111)(H4,100,101,112)(H4,102,103,113)(H4,104,105,114)(H4,106,107,115)(H,117,128,131)/t65-,66-,67-,68-,69-,70-,71-,72-/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 | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of trypsin-like activity of 26S proteasome in human KMS11 cells using Boc-LRR-MCA as substrate after 24 to 48 hrs by luminescence-based as... |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-1
(Homo sapiens (Human)) | BDBM227643
(Vinblastine)Show SMILES CC[C@]1(O)C[C@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |c:48| Show InChI InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of PGPH activity of human 20S proteasome using Z-LLE-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-1
(Homo sapiens (Human)) | BDBM50458011
(CHEMBL4217753)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](-[#7])=O |r| Show InChI InChI=1S/C58H83N7O9/c1-6-48(54(42-18-22-46(23-19-42)73-34-32-64-28-11-7-8-12-29-64)43-20-24-47(25-21-43)74-35-33-65-30-13-9-10-14-31-65)44-16-15-17-45(38-44)56(70)60-39-52(66)61-50(36-40(2)3)57(71)63-51(37-41(4)5)58(72)62-49(55(59)69)26-27-53(67)68/h15-25,38,40-41,49-51H,6-14,26-37,39H2,1-5H3,(H2,59,69)(H,60,70)(H,61,66)(H,62,72)(H,63,71)(H,67,68)/t49-,50-,51-/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 | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of PGPH activity of human 20S proteasome using Z-LLE-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM227643
(Vinblastine)Show SMILES CC[C@]1(O)C[C@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |c:48| Show InChI InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-1
(Homo sapiens (Human)) | BDBM50458012
(CHEMBL4212401)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C89H150N36O12/c1-2-62(72(56-30-34-60(35-31-56)136-52-50-124-46-7-3-4-8-47-124)57-32-36-61(37-33-57)137-53-51-125-48-9-5-6-10-49-125)58-20-11-21-59(54-58)74(128)115-55-71(126)116-64(23-13-39-108-83(93)94)75(129)118-66(25-15-41-110-85(97)98)77(131)120-68(27-17-43-112-87(101)102)79(133)122-70(29-19-45-114-89(105)106)81(135)123-69(28-18-44-113-88(103)104)80(134)121-67(26-16-42-111-86(99)100)78(132)119-65(24-14-40-109-84(95)96)76(130)117-63(73(90)127)22-12-38-107-82(91)92/h11,20-21,30-37,54,63-70H,2-10,12-19,22-29,38-53,55H2,1H3,(H2,90,127)(H,115,128)(H,116,126)(H,117,130)(H,118,129)(H,119,132)(H,120,131)(H,121,134)(H,122,133)(H,123,135)(H4,91,92,107)(H4,93,94,108)(H4,95,96,109)(H4,97,98,110)(H4,99,100,111)(H4,101,102,112)(H4,103,104,113)(H4,105,106,114)/t63-,64-,65-,66-,67-,68-,69-,70-/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 | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of PGPH-like activity of 26S proteasome in human KMS11 cells using Z-LLE-MCA as substrate after 24 to 48 hrs by luminescence-based assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-2
(Homo sapiens (Human)) | BDBM227643
(Vinblastine)Show SMILES CC[C@]1(O)C[C@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |c:48| Show InChI InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of trypsin-like activity of human 20S proteasome using Boc-LRR-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50432548
(LACTACYSTIN)Show SMILES CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@@H]1O)C(=O)SC[C@H](NC(C)=O)C(O)=O |r| Show InChI InChI=1S/C15H24N2O7S/c1-6(2)10(19)15(11(20)7(3)12(21)17-15)14(24)25-5-9(13(22)23)16-8(4)18/h6-7,9-11,19-20H,5H2,1-4H3,(H,16,18)(H,17,21)(H,22,23)/t7-,9+,10+,11+,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of chymotrypsin-like activity of human 26S proteasome using Suc-LLVY-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50458007
(CHEMBL4209883)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r| Show InChI InChI=1S/C67H99N11O11/c1-8-54(63(48-20-24-52(25-21-48)88-34-32-77-28-13-9-10-14-29-77)49-22-26-53(27-23-49)89-35-33-78-30-15-11-12-16-31-78)50-18-17-19-51(39-50)64(84)72-44-62(83)74-56(37-46(4)5)66(86)76-57(38-47(6)7)67(87)75-55(36-45(2)3)65(85)73-43-61(82)71-42-60(81)70-41-59(80)69-40-58(68)79/h17-27,39,45-47,55-57H,8-16,28-38,40-44H2,1-7H3,(H2,68,79)(H,69,80)(H,70,81)(H,71,82)(H,72,84)(H,73,85)(H,74,83)(H,75,87)(H,76,86)/t55-,56-,57-/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 | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of chymotrypsin-like activity of human 26S proteasome using Suc-LLVY-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50458012
(CHEMBL4212401)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C89H150N36O12/c1-2-62(72(56-30-34-60(35-31-56)136-52-50-124-46-7-3-4-8-47-124)57-32-36-61(37-33-57)137-53-51-125-48-9-5-6-10-49-125)58-20-11-21-59(54-58)74(128)115-55-71(126)116-64(23-13-39-108-83(93)94)75(129)118-66(25-15-41-110-85(97)98)77(131)120-68(27-17-43-112-87(101)102)79(133)122-70(29-19-45-114-89(105)106)81(135)123-69(28-18-44-113-88(103)104)80(134)121-67(26-16-42-111-86(99)100)78(132)119-65(24-14-40-109-84(95)96)76(130)117-63(73(90)127)22-12-38-107-82(91)92/h11,20-21,30-37,54,63-70H,2-10,12-19,22-29,38-53,55H2,1H3,(H2,90,127)(H,115,128)(H,116,126)(H,117,130)(H,118,129)(H,119,132)(H,120,131)(H,121,134)(H,122,133)(H,123,135)(H4,91,92,107)(H4,93,94,108)(H4,95,96,109)(H4,97,98,110)(H4,99,100,111)(H4,101,102,112)(H4,103,104,113)(H4,105,106,114)/t63-,64-,65-,66-,67-,68-,69-,70-/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 | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of chymotrypsin-like activity of human 26S proteasome using Suc-LLVY-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50458012
(CHEMBL4212401)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C89H150N36O12/c1-2-62(72(56-30-34-60(35-31-56)136-52-50-124-46-7-3-4-8-47-124)57-32-36-61(37-33-57)137-53-51-125-48-9-5-6-10-49-125)58-20-11-21-59(54-58)74(128)115-55-71(126)116-64(23-13-39-108-83(93)94)75(129)118-66(25-15-41-110-85(97)98)77(131)120-68(27-17-43-112-87(101)102)79(133)122-70(29-19-45-114-89(105)106)81(135)123-69(28-18-44-113-88(103)104)80(134)121-67(26-16-42-111-86(99)100)78(132)119-65(24-14-40-109-84(95)96)76(130)117-63(73(90)127)22-12-38-107-82(91)92/h11,20-21,30-37,54,63-70H,2-10,12-19,22-29,38-53,55H2,1H3,(H2,90,127)(H,115,128)(H,116,126)(H,117,130)(H,118,129)(H,119,132)(H,120,131)(H,121,134)(H,122,133)(H,123,135)(H4,91,92,107)(H4,93,94,108)(H4,95,96,109)(H4,97,98,110)(H4,99,100,111)(H4,101,102,112)(H4,103,104,113)(H4,105,106,114)/t63-,64-,65-,66-,67-,68-,69-,70-/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 | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of chymotrypsin-like activity of 26S proteasome in human RPMI8226 cells using Suc-LLVY-MCA as substrate after 24 to 48 hrs by luminescence... |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50458010
(CHEMBL4217338)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6](-[#6])=O |r| Show InChI InChI=1S/C91H152N36O13/c1-3-64(74(58-31-35-62(36-32-58)139-53-51-126-47-8-4-5-9-48-126)59-33-37-63(38-34-59)140-54-52-127-49-10-6-7-11-50-127)60-21-12-22-61(55-60)75(130)116-56-73(129)118-65(23-13-39-108-84(92)93)77(132)120-67(25-15-41-110-86(96)97)79(134)122-69(27-17-43-112-88(100)101)81(136)124-71(29-19-45-114-90(104)105)83(138)125-72(30-20-46-115-91(106)107)82(137)123-70(28-18-44-113-89(102)103)80(135)121-68(26-16-42-111-87(98)99)78(133)119-66(76(131)117-57(2)128)24-14-40-109-85(94)95/h12,21-22,31-38,55,65-72H,3-11,13-20,23-30,39-54,56H2,1-2H3,(H,116,130)(H,118,129)(H,119,133)(H,120,132)(H,121,135)(H,122,134)(H,123,137)(H,124,136)(H,125,138)(H4,92,93,108)(H4,94,95,109)(H4,96,97,110)(H4,98,99,111)(H4,100,101,112)(H4,102,103,113)(H4,104,105,114)(H4,106,107,115)(H,117,128,131)/t65-,66-,67-,68-,69-,70-,71-,72-/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 | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of chymotrypsin-like activity of human 26S proteasome using Z-LLE-MCA as substrate measured for 1 hr in presence of ATPgammaS by fluoresce... |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50458011
(CHEMBL4217753)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](-[#7])=O |r| Show InChI InChI=1S/C58H83N7O9/c1-6-48(54(42-18-22-46(23-19-42)73-34-32-64-28-11-7-8-12-29-64)43-20-24-47(25-21-43)74-35-33-65-30-13-9-10-14-31-65)44-16-15-17-45(38-44)56(70)60-39-52(66)61-50(36-40(2)3)57(71)63-51(37-41(4)5)58(72)62-49(55(59)69)26-27-53(67)68/h15-25,38,40-41,49-51H,6-14,26-37,39H2,1-5H3,(H2,59,69)(H,60,70)(H,61,66)(H,62,72)(H,63,71)(H,67,68)/t49-,50-,51-/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 | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50458012
(CHEMBL4212401)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C89H150N36O12/c1-2-62(72(56-30-34-60(35-31-56)136-52-50-124-46-7-3-4-8-47-124)57-32-36-61(37-33-57)137-53-51-125-48-9-5-6-10-49-125)58-20-11-21-59(54-58)74(128)115-55-71(126)116-64(23-13-39-108-83(93)94)75(129)118-66(25-15-41-110-85(97)98)77(131)120-68(27-17-43-112-87(101)102)79(133)122-70(29-19-45-114-89(105)106)81(135)123-69(28-18-44-113-88(103)104)80(134)121-67(26-16-42-111-86(99)100)78(132)119-65(24-14-40-109-84(95)96)76(130)117-63(73(90)127)22-12-38-107-82(91)92/h11,20-21,30-37,54,63-70H,2-10,12-19,22-29,38-53,55H2,1H3,(H2,90,127)(H,115,128)(H,116,126)(H,117,130)(H,118,129)(H,119,132)(H,120,131)(H,121,134)(H,122,133)(H,123,135)(H4,91,92,107)(H4,93,94,108)(H4,95,96,109)(H4,97,98,110)(H4,99,100,111)(H4,101,102,112)(H4,103,104,113)(H4,105,106,114)/t63-,64-,65-,66-,67-,68-,69-,70-/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 | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of chymotrypsin-like activity of 26S proteasome in human KMS11 cells using Suc-LLVY-MCA as substrate after 24 to 48 hrs by luminescence-ba... |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-1
(Homo sapiens (Human)) | BDBM50458012
(CHEMBL4212401)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C89H150N36O12/c1-2-62(72(56-30-34-60(35-31-56)136-52-50-124-46-7-3-4-8-47-124)57-32-36-61(37-33-57)137-53-51-125-48-9-5-6-10-49-125)58-20-11-21-59(54-58)74(128)115-55-71(126)116-64(23-13-39-108-83(93)94)75(129)118-66(25-15-41-110-85(97)98)77(131)120-68(27-17-43-112-87(101)102)79(133)122-70(29-19-45-114-89(105)106)81(135)123-69(28-18-44-113-88(103)104)80(134)121-67(26-16-42-111-86(99)100)78(132)119-65(24-14-40-109-84(95)96)76(130)117-63(73(90)127)22-12-38-107-82(91)92/h11,20-21,30-37,54,63-70H,2-10,12-19,22-29,38-53,55H2,1H3,(H2,90,127)(H,115,128)(H,116,126)(H,117,130)(H,118,129)(H,119,132)(H,120,131)(H,121,134)(H,122,133)(H,123,135)(H4,91,92,107)(H4,93,94,108)(H4,95,96,109)(H4,97,98,110)(H4,99,100,111)(H4,101,102,112)(H4,103,104,113)(H4,105,106,114)/t63-,64-,65-,66-,67-,68-,69-,70-/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 | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of PGPH-like activity of 26S proteasome in human RPMI8226 cells using Z-LLE-MCA as substrate after 24 to 48 hrs by luminescence-based assa... |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-2
(Homo sapiens (Human)) | BDBM50458004
(CHEMBL4210397)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r| Show InChI InChI=1S/C71H100N10O11/c1-8-58(65(51-22-28-56(29-23-51)91-38-36-80-32-13-9-10-14-33-80)52-24-30-57(31-25-52)92-39-37-81-34-15-11-12-16-35-81)53-18-17-19-54(43-53)67(86)74-46-64(85)76-59(40-47(2)3)69(88)77-60(41-48(4)5)70(89)79-66(49(6)7)71(90)78-61(42-50-20-26-55(82)27-21-50)68(87)75-45-63(84)73-44-62(72)83/h17-31,43,47-49,59-61,66,82H,8-16,32-42,44-46H2,1-7H3,(H2,72,83)(H,73,84)(H,74,86)(H,75,87)(H,76,85)(H,77,88)(H,78,90)(H,79,89)/t59-,60-,61-,66-/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 | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of trypsin-like activity of human 20S proteasome using Boc-LRR-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50458013
(CHEMBL4215864)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C77H126N28O10/c1-2-56(64(50-26-30-54(31-27-50)114-46-44-104-40-7-3-4-8-41-104)51-28-32-55(33-29-51)115-47-45-105-42-9-5-6-10-43-105)52-18-11-19-53(48-52)66(108)97-49-63(106)98-58(21-13-35-92-73(81)82)67(109)100-60(23-15-37-94-75(85)86)69(111)102-62(25-17-39-96-77(89)90)71(113)103-61(24-16-38-95-76(87)88)70(112)101-59(22-14-36-93-74(83)84)68(110)99-57(65(78)107)20-12-34-91-72(79)80/h11,18-19,26-33,48,57-62H,2-10,12-17,20-25,34-47,49H2,1H3,(H2,78,107)(H,97,108)(H,98,106)(H,99,110)(H,100,109)(H,101,112)(H,102,111)(H,103,113)(H4,79,80,91)(H4,81,82,92)(H4,83,84,93)(H4,85,86,94)(H4,87,88,95)(H4,89,90,96)/t57-,58-,59-,60-,61-,62-/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 | >8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-1
(Homo sapiens (Human)) | BDBM50458005
(CHEMBL4212383)Show SMILES NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C50H102N34O9/c51-25-34(85)77-27(10-2-18-70-44(55)56)36(87)79-29(12-4-20-72-46(59)60)38(89)81-31(14-6-22-74-48(63)64)40(91)83-33(16-8-24-76-50(67)68)42(93)84-32(15-7-23-75-49(65)66)41(92)82-30(13-5-21-73-47(61)62)39(90)80-28(11-3-19-71-45(57)58)37(88)78-26(35(52)86)9-1-17-69-43(53)54/h26-33H,1-25,51H2,(H2,52,86)(H,77,85)(H,78,88)(H,79,87)(H,80,90)(H,81,89)(H,82,92)(H,83,91)(H,84,93)(H4,53,54,69)(H4,55,56,70)(H4,57,58,71)(H4,59,60,72)(H4,61,62,73)(H4,63,64,74)(H4,65,66,75)(H4,67,68,76)/t26-,27-,28-,29-,30-,31-,32-,33-/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 | >8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of PGPH activity of human 20S proteasome using Z-LLE-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-1
(Homo sapiens (Human)) | BDBM50432548
(LACTACYSTIN)Show SMILES CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@@H]1O)C(=O)SC[C@H](NC(C)=O)C(O)=O |r| Show InChI InChI=1S/C15H24N2O7S/c1-6(2)10(19)15(11(20)7(3)12(21)17-15)14(24)25-5-9(13(22)23)16-8(4)18/h6-7,9-11,19-20H,5H2,1-4H3,(H,16,18)(H,17,21)(H,22,23)/t7-,9+,10+,11+,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of PGPH activity of human 20S proteasome using Z-LLE-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-1
(Homo sapiens (Human)) | BDBM50458008
(CHEMBL4204198)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C65H102N20O8/c1-2-50(56(44-22-26-48(27-23-44)92-40-38-84-34-7-3-4-8-35-84)45-24-28-49(29-25-45)93-41-39-85-36-9-5-6-10-37-85)46-16-11-17-47(42-46)58(88)79-43-55(86)80-52(19-13-31-76-63(69)70)59(89)82-54(21-15-33-78-65(73)74)61(91)83-53(20-14-32-77-64(71)72)60(90)81-51(57(66)87)18-12-30-75-62(67)68/h11,16-17,22-29,42,51-54H,2-10,12-15,18-21,30-41,43H2,1H3,(H2,66,87)(H,79,88)(H,80,86)(H,81,90)(H,82,89)(H,83,91)(H4,67,68,75)(H4,69,70,76)(H4,71,72,77)(H4,73,74,78)/t51-,52-,53-,54-/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 | >8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of PGPH activity of human 20S proteasome using Z-LLE-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-2
(Homo sapiens (Human)) | BDBM50458002
(CHEMBL4212914)Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C52H103N33O11/c1-27(86)78-29(11-3-19-70-46(55)56)38(90)80-31(13-5-21-72-48(59)60)40(92)82-33(15-7-23-74-50(63)64)42(94)84-35(17-9-25-76-52(67)68)44(96)85-34(16-8-24-75-51(65)66)43(95)83-32(14-6-22-73-49(61)62)41(93)81-30(12-4-20-71-47(57)58)39(91)79-28(10-2-18-69-45(53)54)37(89)77-26-36(87)88/h28-35H,2-26H2,1H3,(H,77,89)(H,78,86)(H,79,91)(H,80,90)(H,81,93)(H,82,92)(H,83,95)(H,84,94)(H,85,96)(H,87,88)(H4,53,54,69)(H4,55,56,70)(H4,57,58,71)(H4,59,60,72)(H4,61,62,73)(H4,63,64,74)(H4,65,66,75)(H4,67,68,76)/t28-,29-,30-,31-,32-,33-,34-,35-/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 | >8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagahama Institute of Bio-Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of trypsin-like activity of human 20S proteasome using Boc-LRR-MCA as substrate measured for 1 hr by fluorescence assay |
Eur J Med Chem 146: 636-650 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.045
BindingDB Entry DOI: 10.7270/Q2DF6TV7 |
More data for this
Ligand-Target Pair | |
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