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BDBM50247219 (2S,4S)-Methyl 4-((E)-3-(3,4-dimethoxyphenyl)acrylamido)-1-acetylpyrrolidine-2-carboxylate::CHEMBL515766

SMILES: COC(=O)[C@@H]1C[C@@H](CN1C(C)=O)NC(=O)\C=C\c1ccc(OC)c(OC)c1

InChI Key: InChIKey=KGKJMMZCNMIUBO-ODYMAQSMSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50247219   
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
Aminopeptidase N


(Homo sapiens (Human))
BDBM50247219
PNG
((2S,4S)-Methyl 4-((E)-3-(3,4-dimethoxyphenyl)acryl...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(C)=O)NC(=O)\C=C\c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C19H24N2O6/c1-12(22)21-11-14(10-15(21)19(24)27-4)20-18(23)8-6-13-5-7-16(25-2)17(9-13)26-3/h5-9,14-15H,10-11H2,1-4H3,(H,20,23)/b8-6+/t14-,15-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.62E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50247219
PNG
((2S,4S)-Methyl 4-((E)-3-(3,4-dimethoxyphenyl)acryl...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(C)=O)NC(=O)\C=C\c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C19H24N2O6/c1-12(22)21-11-14(10-15(21)19(24)27-4)20-18(23)8-6-13-5-7-16(25-2)17(9-13)26-3/h5-9,14-15H,10-11H2,1-4H3,(H,20,23)/b8-6+/t14-,15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair