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BDBM50025849 2-[(Imidazole-1-carbonyl)-amino]-3-methyl-butyric acid methyl ester::CHEMBL291635

SMILES: COC(=O)[C@@H](NC(=O)n1ccnc1)C(C)C

InChI Key: InChIKey=FIESZNOTTXYIRS-QMMMGPOBSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50025849   
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
Pancreatic elastase


(Sus scrofa (Pig))
BDBM50025849
PNG
(2-[(Imidazole-1-carbonyl)-amino]-3-methyl-butyric ...)
Show SMILES COC(=O)[C@@H](NC(=O)n1ccnc1)C(C)C
Show InChI InChI=1S/C10H15N3O3/c1-7(2)8(9(14)16-3)12-10(15)13-5-4-11-6-13/h4-8H,1-3H3,(H,12,15)/t8-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.11E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 28: 204-9 (1985)


BindingDB Entry DOI: 10.7270/Q29S1Q1V
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50025849
PNG
(2-[(Imidazole-1-carbonyl)-amino]-3-methyl-butyric ...)
Show SMILES COC(=O)[C@@H](NC(=O)n1ccnc1)C(C)C
Show InChI InChI=1S/C10H15N3O3/c1-7(2)8(9(14)16-3)12-10(15)13-5-4-11-6-13/h4-8H,1-3H3,(H,12,15)/t8-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.80E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ki value was evaluated for the inhibition of human leukocyte elastase


J Med Chem 28: 204-9 (1985)


BindingDB Entry DOI: 10.7270/Q29S1Q1V
More data for this
Ligand-Target Pair