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BDBM50326306 3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(dimethylamino)-propyl)-2-oxophenylbutanamide::CHEMBL1242932

SMILES: CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN(C)C

InChI Key: InChIKey=GGECGLKTHHBHRG-BBMPLOMVSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50326306   
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))
BDBM50326306
PNG
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(dimethyl...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN(C)C
Show InChI InChI=1S/C29H40N4O5/c1-21(2)18-25(32-29(37)38-20-23-14-9-6-10-15-23)27(35)31-24(19-22-12-7-5-8-13-22)26(34)28(36)30-16-11-17-33(3)4/h5-10,12-15,21,24-25H,11,16-20H2,1-4H3,(H,30,36)(H,31,35)(H,32,37)/t24?,25-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
226n/an/an/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of porcine erythrocyte calpain 1


J Med Chem 53: 6326-36 (2010)

More data for this
Ligand-Target Pair
Calpain 2


(Sus scrofa)
BDBM50326306
PNG
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(dimethyl...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN(C)C
Show InChI InChI=1S/C29H40N4O5/c1-21(2)18-25(32-29(37)38-20-23-14-9-6-10-15-23)27(35)31-24(19-22-12-7-5-8-13-22)26(34)28(36)30-16-11-17-33(3)4/h5-10,12-15,21,24-25H,11,16-20H2,1-4H3,(H,30,36)(H,31,35)(H,32,37)/t24?,25-/m0/s1
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PC sid
UniChem

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Article
PubMed
844n/an/an/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney calpain 2


J Med Chem 53: 6326-36 (2010)

More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50326306
PNG
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(dimethyl...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN(C)C
Show InChI InChI=1S/C29H40N4O5/c1-21(2)18-25(32-29(37)38-20-23-14-9-6-10-15-23)27(35)31-24(19-22-12-7-5-8-13-22)26(34)28(36)30-16-11-17-33(3)4/h5-10,12-15,21,24-25H,11,16-20H2,1-4H3,(H,30,36)(H,31,35)(H,32,37)/t24?,25-/m0/s1
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UniChem

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Article
PubMed
7.55E+4n/an/an/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B


J Med Chem 53: 6326-36 (2010)

More data for this
Ligand-Target Pair