Found 6 hits in this display 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-9
(Homo sapiens (Human)) | BDBM50538188
(CHEMBL4649310)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnccn1)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C30H38N6O6/c1-19(2)14-21(26(38)30(3)18-42-30)34-28(40)22(15-20-8-5-4-6-9-20)35-29(41)24-10-7-13-36(24)25(37)17-33-27(39)23-16-31-11-12-32-23/h4-6,8-9,11-12,16,19,21-22,24H,7,10,13-15,17-18H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)/t21-,22-,24-,30+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by ChEMBL
| Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis |
J Med Chem 63: 3763-3783 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2 |
More data for this Ligand-Target Pair | |
Proteasome subunit beta type-9
(Homo sapiens (Human)) | BDBM50538188
(CHEMBL4649310)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnccn1)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C30H38N6O6/c1-19(2)14-21(26(38)30(3)18-42-30)34-28(40)22(15-20-8-5-4-6-9-20)35-29(41)24-10-7-13-36(24)25(37)17-33-27(39)23-16-31-11-12-32-23/h4-6,8-9,11-12,16,19,21-22,24H,7,10,13-15,17-18H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)/t21-,22-,24-,30+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human 20S proteasome LMP2 using Ac-PAL-AMC as fluorogenic substrate measured every minute for 1 hr by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00291 BindingDB Entry DOI: 10.7270/Q2RX9GWM |
More data for this Ligand-Target Pair | |
Proteasome subunit beta type-1
(Homo sapiens (Human)) | BDBM50538188
(CHEMBL4649310)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnccn1)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C30H38N6O6/c1-19(2)14-21(26(38)30(3)18-42-30)34-28(40)22(15-20-8-5-4-6-9-20)35-29(41)24-10-7-13-36(24)25(37)17-33-27(39)23-16-31-11-12-32-23/h4-6,8-9,11-12,16,19,21-22,24H,7,10,13-15,17-18H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)/t21-,22-,24-,30+/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 | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by ChEMBL
| Assay Description Inhibition of Beta1 subunit in human 20S proteasome using Ac-nLPnLD-AMC as substrate after 1 hr by fluorescence based microplate reader analysis |
J Med Chem 63: 3763-3783 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2 |
More data for this Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50538188
(CHEMBL4649310)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnccn1)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C30H38N6O6/c1-19(2)14-21(26(38)30(3)18-42-30)34-28(40)22(15-20-8-5-4-6-9-20)35-29(41)24-10-7-13-36(24)25(37)17-33-27(39)23-16-31-11-12-32-23/h4-6,8-9,11-12,16,19,21-22,24H,7,10,13-15,17-18H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)/t21-,22-,24-,30+/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by ChEMBL
| Assay Description Inhibition of Beta5 in human 20S immunoproteasome usingAc-WLA-AMC as substrate after 1 hr by fluorescence based microplate reader analysis |
J Med Chem 63: 3763-3783 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2 |
More data for this Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM50538188
(CHEMBL4649310)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnccn1)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C30H38N6O6/c1-19(2)14-21(26(38)30(3)18-42-30)34-28(40)22(15-20-8-5-4-6-9-20)35-29(41)24-10-7-13-36(24)25(37)17-33-27(39)23-16-31-11-12-32-23/h4-6,8-9,11-12,16,19,21-22,24H,7,10,13-15,17-18H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)/t21-,22-,24-,30+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human 20S proteasome LMP7 using Ac-ANW-AMC as fluorogenic substrate measured every minute for 1 hr by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00291 BindingDB Entry DOI: 10.7270/Q2RX9GWM |
More data for this Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM50538188
(CHEMBL4649310)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnccn1)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C30H38N6O6/c1-19(2)14-21(26(38)30(3)18-42-30)34-28(40)22(15-20-8-5-4-6-9-20)35-29(41)24-10-7-13-36(24)25(37)17-33-27(39)23-16-31-11-12-32-23/h4-6,8-9,11-12,16,19,21-22,24H,7,10,13-15,17-18H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)/t21-,22-,24-,30+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by ChEMBL
| Assay Description Inhibition of LMP7 in human 20S immunoproteasome using Ac-ANW-AMC as substrate after 1 hr by fluorescence based microplate reader analysis |
J Med Chem 63: 3763-3783 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2 |
More data for this Ligand-Target Pair | |