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BDBM50326303 3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-9H-purin-9-yl)propyl)-2-oxopentanamide::CHEMBL1242960

SMILES: CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)ncnc12

InChI Key: InChIKey=YMCBLPZMUVVYPZ-ANYOKISRSA-N

Data: 3 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 3 hits for monomerid = 50326303   
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))
BDBM50326303
PNG
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...)
Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C27H36N8O5/c1-4-19(22(36)26(38)29-11-8-12-35-16-32-21-23(28)30-15-31-24(21)35)33-25(37)20(13-17(2)3)34-27(39)40-14-18-9-6-5-7-10-18/h5-7,9-10,15-17,19-20H,4,8,11-14H2,1-3H3,(H,29,38)(H,33,37)(H,34,39)(H2,28,30,31)/t19?,20-/m0/s1
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PC sid
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PubMed
53n/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)


Article DOI: 10.1021/jm901221v
More data for this
Ligand-Target Pair
Calpain 2


(Sus scrofa)
BDBM50326303
PNG
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...)
Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C27H36N8O5/c1-4-19(22(36)26(38)29-11-8-12-35-16-32-21-23(28)30-15-31-24(21)35)33-25(37)20(13-17(2)3)34-27(39)40-14-18-9-6-5-7-10-18/h5-7,9-10,15-17,19-20H,4,8,11-14H2,1-3H3,(H,29,38)(H,33,37)(H,34,39)(H2,28,30,31)/t19?,20-/m0/s1
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PC sid
UniChem
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PubMed
70n/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)


Article DOI: 10.1021/jm901221v
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50326303
PNG
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...)
Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C27H36N8O5/c1-4-19(22(36)26(38)29-11-8-12-35-16-32-21-23(28)30-15-31-24(21)35)33-25(37)20(13-17(2)3)34-27(39)40-14-18-9-6-5-7-10-18/h5-7,9-10,15-17,19-20H,4,8,11-14H2,1-3H3,(H,29,38)(H,33,37)(H,34,39)(H2,28,30,31)/t19?,20-/m0/s1
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PubMed
800n/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)


Article DOI: 10.1021/jm901221v
More data for this
Ligand-Target Pair