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BDBM50193499 (R)-1-(butylsulfonyl)-N-((R,S)-1-oxo-3-phenylpropan-2-yl)-pyrrolidine-2-carboxamide::CHEMBL212234

SMILES: CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O

InChI Key: InChIKey=QMXJGKCMTOHGDZ-ZYMOGRSISA-N

Data: 2 KI

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

Found 2 hits for monomerid = 50193499   
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
Calpain-1


(Sus scrofa (pig))
BDBM50193499
PNG
((R)-1-(butylsulfonyl)-N-((R,S)-1-oxo-3-phenylpropa...)
Show SMILES CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O
Show InChI InChI=1S/C18H26N2O4S/c1-2-3-12-25(23,24)20-11-7-10-17(20)18(22)19-16(14-21)13-15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,2-3,7,10-13H2,1H3,(H,19,22)/t16?,17-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
313n/an/an/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of porcine erythrocyte mu calpain


J Med Chem 49: 5282-90 (2006)


Article DOI: 10.1021/jm050849w
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50193499
PNG
((R)-1-(butylsulfonyl)-N-((R,S)-1-oxo-3-phenylpropa...)
Show SMILES CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O
Show InChI InChI=1S/C18H26N2O4S/c1-2-3-12-25(23,24)20-11-7-10-17(20)18(22)19-16(14-21)13-15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,2-3,7,10-13H2,1H3,(H,19,22)/t16?,17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.48E+3n/an/an/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B


J Med Chem 49: 5282-90 (2006)


Article DOI: 10.1021/jm050849w
More data for this
Ligand-Target Pair