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SMILES: Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1cccc(O)c1

InChI Key: InChIKey=NTJCSTNENNEYCC-FQEVSTJZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50516209   
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))
BDBM50516209
PNG
(CHEMBL4516729)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1cccc(O)c1 |r|
Show InChI InChI=1S/C24H32N4O6S/c1-16-8-10-19(11-9-16)35(33,34)28-20(15-21(30)27-24(2,3)4)23(32)26-13-12-25-22(31)17-6-5-7-18(29)14-17/h5-11,14,20,28-29H,12-13,15H2,1-4H3,(H,25,31)(H,26,32)(H,27,30)/t20-/m0/s1
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 475n/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))
BDBM50516209
PNG
(CHEMBL4516729)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1cccc(O)c1 |r|
Show InChI InChI=1S/C24H32N4O6S/c1-16-8-10-19(11-9-16)35(33,34)28-20(15-21(30)27-24(2,3)4)23(32)26-13-12-25-22(31)17-6-5-7-18(29)14-17/h5-11,14,20,28-29H,12-13,15H2,1-4H3,(H,25,31)(H,26,32)(H,27,30)/t20-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.38E+3n/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