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BDBM50046898 2-Acetylamino-4-methyl-pentanoic acid [1-(5-amino-1-formyl-pentylcarbamoyl)-3-methyl-butyl]-amide::CHEMBL2373051

SMILES: CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C=O

InChI Key: InChIKey=AFXXHYCYAQRFSK-BZSNNMDCSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50046898   
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
Plasminogen


(Bos taurus)
BDBM50046898
PNG
(2-Acetylamino-4-methyl-pentanoic acid [1-(5-amino-...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C=O |r|
Show InChI InChI=1S/C20H38N4O4/c1-13(2)10-17(22-15(5)26)20(28)24-18(11-14(3)4)19(27)23-16(12-25)8-6-7-9-21/h12-14,16-18H,6-11,21H2,1-5H3,(H,22,26)(H,23,27)(H,24,28)/t16-,17-,18-/m0/s1
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of plasmin with Val-L-Leu-L-lysine-p-nitroanilide as substrate


J Med Chem 36: 1084-9 (1993)


BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50046898
PNG
(2-Acetylamino-4-methyl-pentanoic acid [1-(5-amino-...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C=O |r|
Show InChI InChI=1S/C20H38N4O4/c1-13(2)10-17(22-15(5)26)20(28)24-18(11-14(3)4)19(27)23-16(12-25)8-6-7-9-21/h12-14,16-18H,6-11,21H2,1-5H3,(H,22,26)(H,23,27)(H,24,28)/t16-,17-,18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 130n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B with Cbz-L-lysine-p-nitrophenyl ester as substrate


J Med Chem 36: 1084-9 (1993)


BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair