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SMILES: COc1cccc(c1)C(=O)NCCNC(=O)[C@H](CC(=O)NC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1

InChI Key: InChIKey=QNZCYUOLMJTGKR-NRFANRHFSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50516219   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50516219
PNG
(CHEMBL4461840)
Show SMILES COc1cccc(c1)C(=O)NCCNC(=O)[C@H](CC(=O)NC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C25H34N4O6S/c1-17-9-11-20(12-10-17)36(33,34)29-21(16-22(30)28-25(2,3)4)24(32)27-14-13-26-23(31)18-7-6-8-19(15-18)35-5/h6-12,15,21,29H,13-14,16H2,1-5H3,(H,26,31)(H,27,32)(H,28,30)/t21-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Weill Cornell Medicine

Curated by ChEMBL


Assay Description
Inhibition of human beta5 20S immunoproteasome using Ac-ANW-AMC as substrate


J Med Chem 62: 6137-6145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50516219
PNG
(CHEMBL4461840)
Show SMILES COc1cccc(c1)C(=O)NCCNC(=O)[C@H](CC(=O)NC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C25H34N4O6S/c1-17-9-11-20(12-10-17)36(33,34)29-21(16-22(30)28-25(2,3)4)24(32)27-14-13-26-23(31)18-7-6-8-19(15-18)35-5/h6-12,15,21,29H,13-14,16H2,1-5H3,(H,26,31)(H,27,32)(H,28,30)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 506n/an/an/an/an/an/a



Weill Cornell Medicine

Curated by ChEMBL


Assay Description
Inhibition of human beta5 20S constitutive proteasome using suc-LLVY-AMC as substrate


J Med Chem 62: 6137-6145 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ
More data for this
Ligand-Target Pair