Found 2 hits for monomerid = 50517651 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
20S proteasome
(Homo sapiens (Human)) | BDBM50517651
(CHEMBL4539247)Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(CN)cc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](CC1CCC(C)CC1)C(=O)[C@@]1(C)CO1 |r,wU:7.7,34.36,20.29,wD:3.2,45.48,(66.53,-40.02,;65.2,-39.25,;63.87,-40.02,;65.2,-37.71,;63.87,-36.94,;62.53,-37.71,;62.53,-39.25,;61.2,-36.94,;61.2,-35.4,;60.1,-34.32,;60.49,-32.83,;59.39,-31.75,;57.9,-32.16,;56.8,-31.08,;55.32,-31.5,;57.52,-33.66,;58.62,-34.74,;59.87,-37.71,;58.53,-36.94,;58.53,-35.4,;57.2,-37.71,;55.86,-36.94,;54.53,-37.71,;53.2,-36.94,;51.87,-37.71,;51.86,-39.25,;53.21,-40.02,;54.53,-39.25,;57.2,-39.25,;58.53,-40.02,;59.86,-40.79,;66.53,-36.94,;66.53,-35.4,;67.87,-37.71,;69.2,-36.94,;69.2,-35.4,;68,-34.21,;66.57,-34.76,;65.38,-33.8,;65.61,-32.28,;64.41,-31.32,;67.05,-31.71,;68.24,-32.69,;70.53,-37.71,;70.53,-39.25,;71.87,-36.94,;73.2,-37.71,;71.09,-35.6,;72.64,-35.59,)| Show InChI InChI=1S/C37H51N7O5/c1-23(2)32(36(48)40-29(33(45)37(4)22-49-37)18-26-12-10-24(3)11-13-26)42-34(46)30(19-27-14-16-28(21-38)17-15-27)41-35(47)31(43-44-39)20-25-8-6-5-7-9-25/h5-9,14-17,23-24,26,29-32H,10-13,18-22,38H2,1-4H3,(H,40,48)(H,41,47)(H,42,46)/t24?,26?,29-,30-,31-,32-,37+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden Institute of Chemistry and Netherlands Proteomics Centre
Curated by ChEMBL
| Assay Description
Inhibition of 20S constitutive proteasome beta 2 trypsin-like activity (unknown origin) by cell based ABPP assay |
J Med Chem 62: 1626-1642 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01884 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-10
(Homo sapiens (Human)) | BDBM50517651
(CHEMBL4539247)Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(CN)cc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](CC1CCC(C)CC1)C(=O)[C@@]1(C)CO1 |r,wU:7.7,34.36,20.29,wD:3.2,45.48,(66.53,-40.02,;65.2,-39.25,;63.87,-40.02,;65.2,-37.71,;63.87,-36.94,;62.53,-37.71,;62.53,-39.25,;61.2,-36.94,;61.2,-35.4,;60.1,-34.32,;60.49,-32.83,;59.39,-31.75,;57.9,-32.16,;56.8,-31.08,;55.32,-31.5,;57.52,-33.66,;58.62,-34.74,;59.87,-37.71,;58.53,-36.94,;58.53,-35.4,;57.2,-37.71,;55.86,-36.94,;54.53,-37.71,;53.2,-36.94,;51.87,-37.71,;51.86,-39.25,;53.21,-40.02,;54.53,-39.25,;57.2,-39.25,;58.53,-40.02,;59.86,-40.79,;66.53,-36.94,;66.53,-35.4,;67.87,-37.71,;69.2,-36.94,;69.2,-35.4,;68,-34.21,;66.57,-34.76,;65.38,-33.8,;65.61,-32.28,;64.41,-31.32,;67.05,-31.71,;68.24,-32.69,;70.53,-37.71,;70.53,-39.25,;71.87,-36.94,;73.2,-37.71,;71.09,-35.6,;72.64,-35.59,)| Show InChI InChI=1S/C37H51N7O5/c1-23(2)32(36(48)40-29(33(45)37(4)22-49-37)18-26-12-10-24(3)11-13-26)42-34(46)30(19-27-14-16-28(21-38)17-15-27)41-35(47)31(43-44-39)20-25-8-6-5-7-9-25/h5-9,14-17,23-24,26,29-32H,10-13,18-22,38H2,1-4H3,(H,40,48)(H,41,47)(H,42,46)/t24?,26?,29-,30-,31-,32-,37+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden Institute of Chemistry and Netherlands Proteomics Centre
Curated by ChEMBL
| Assay Description
Inhibition of 20S immunoproteasome beta 2 (unknown origin) by cell based ABPP assay |
J Med Chem 62: 1626-1642 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01884 |
More data for this
Ligand-Target Pair | |
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