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BDBM50014734 CHEMBL132768::N-{1-Benzyl-2-oxo-2-[2-(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-pyrrolidin-1-yl]-ethyl}-succinamic acid methyl ester

SMILES: COC(=O)CCC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F

InChI Key: InChIKey=XELPZHYUDKTNLZ-LQWHRVPQSA-N

Data: 2 KI

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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 = 50014734   
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
Elastase 1


(Homo sapiens (Human))
BDBM50014734
PNG
(CHEMBL132768 | N-{1-Benzyl-2-oxo-2-[2-(3,3,3-trifl...)
Show SMILES COC(=O)CCC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H32F3N3O6/c1-15(2)21(22(34)25(26,27)28)30-23(35)18-10-7-13-31(18)24(36)17(14-16-8-5-4-6-9-16)29-19(32)11-12-20(33)37-3/h4-6,8-9,15,17-18,21H,7,10-14H2,1-3H3,(H,29,32)(H,30,35)/t17-,18+,21+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
660n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Elastase


J Med Chem 33: 394-407 (1990)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
BDBM50014734
PNG
(CHEMBL132768 | N-{1-Benzyl-2-oxo-2-[2-(3,3,3-trifl...)
Show SMILES COC(=O)CCC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H32F3N3O6/c1-15(2)21(22(34)25(26,27)28)30-23(35)18-10-7-13-31(18)24(36)17(14-16-8-5-4-6-9-16)29-19(32)11-12-20(33)37-3/h4-6,8-9,15,17-18,21H,7,10-14H2,1-3H3,(H,29,32)(H,30,35)/t17-,18+,21+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.80E+4n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Elastase


J Med Chem 33: 394-407 (1990)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair