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BDBM50326299 3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-2-oxopyrimidin-1(2H)-yl)propyl))-2-oxopentanamide::CHEMBL1242986

SMILES: CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O

InChI Key: InChIKey=PZIXFIHNPCGTEW-ANYOKISRSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50326299   
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))
BDBM50326299
PNG
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...)
Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O |r|
Show InChI InChI=1S/C26H36N6O6/c1-4-19(22(33)24(35)28-12-8-13-32-14-11-21(27)31-25(32)36)29-23(34)20(15-17(2)3)30-26(37)38-16-18-9-6-5-7-10-18/h5-7,9-11,14,17,19-20H,4,8,12-13,15-16H2,1-3H3,(H,28,35)(H,29,34)(H,30,37)(H2,27,31,36)/t19?,20-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
165n/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
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50326299
PNG
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...)
Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O |r|
Show InChI InChI=1S/C26H36N6O6/c1-4-19(22(33)24(35)28-12-8-13-32-14-11-21(27)31-25(32)36)29-23(34)20(15-17(2)3)30-26(37)38-16-18-9-6-5-7-10-18/h5-7,9-11,14,17,19-20H,4,8,12-13,15-16H2,1-3H3,(H,28,35)(H,29,34)(H,30,37)(H2,27,31,36)/t19?,20-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
750n/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
Calpain 2


(Sus scrofa)
BDBM50326299
PNG
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...)
Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O |r|
Show InChI InChI=1S/C26H36N6O6/c1-4-19(22(33)24(35)28-12-8-13-32-14-11-21(27)31-25(32)36)29-23(34)20(15-17(2)3)30-26(37)38-16-18-9-6-5-7-10-18/h5-7,9-11,14,17,19-20H,4,8,12-13,15-16H2,1-3H3,(H,28,35)(H,29,34)(H,30,37)(H2,27,31,36)/t19?,20-/m0/s1
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.14E+3n/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