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BDBM50053793 (1-{1-Benzyl-2-oxo-2-[(quinolin-2-ylmethyl)-carbamoyl]-ethylcarbamoyl}-3-methyl-butyl)-carbamic acid benzyl ester::CHEMBL134283

SMILES: CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccc2ccccc2n1

InChI Key: InChIKey=ABCDOWZVJWRRMY-UHFFFAOYSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50053793   
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-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50053793
PNG
((1-{1-Benzyl-2-oxo-2-[(quinolin-2-ylmethyl)-carbam...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccc2ccccc2n1
Show InChI InChI=1S/C34H36N4O5/c1-23(2)19-30(38-34(42)43-22-25-13-7-4-8-14-25)32(40)37-29(20-24-11-5-3-6-12-24)31(39)33(41)35-21-27-18-17-26-15-9-10-16-28(26)36-27/h3-18,23,29-30H,19-22H2,1-2H3,(H,35,41)(H,37,40)(H,38,42)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0230n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Cysteine protease Calpain 2


J Med Chem 39: 4089-98 (1996)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053793
PNG
((1-{1-Benzyl-2-oxo-2-[(quinolin-2-ylmethyl)-carbam...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccc2ccccc2n1
Show InChI InChI=1S/C34H36N4O5/c1-23(2)19-30(38-34(42)43-22-25-13-7-4-8-14-25)32(40)37-29(20-24-11-5-3-6-12-24)31(39)33(41)35-21-27-18-17-26-15-9-10-16-28(26)36-27/h3-18,23,29-30H,19-22H2,1-2H3,(H,35,41)(H,37,40)(H,38,42)
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.110n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50053793
PNG
((1-{1-Benzyl-2-oxo-2-[(quinolin-2-ylmethyl)-carbam...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccc2ccccc2n1
Show InChI InChI=1S/C34H36N4O5/c1-23(2)19-30(38-34(42)43-22-25-13-7-4-8-14-25)32(40)37-29(20-24-11-5-3-6-12-24)31(39)33(41)35-21-27-18-17-26-15-9-10-16-28(26)36-27/h3-18,23,29-30H,19-22H2,1-2H3,(H,35,41)(H,37,40)(H,38,42)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.340n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


J Med Chem 39: 4089-98 (1996)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
More data for this
Ligand-Target Pair