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BDBM50253478 1-Benzenesulfonyl-4-benzoyloxy-pyrrolidine-2-carboxylicacid methyl ester::CHEMBL523828

SMILES: COC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)c1ccccc1)OC(=O)c1ccccc1

InChI Key: InChIKey=SJCLHSFAQZIWIL-WBVHZDCISA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50253478   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50253478
PNG
(1-Benzenesulfonyl-4-benzoyloxy-pyrrolidine-2-carbo...)
Show SMILES COC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)c1ccccc1)OC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C19H19NO6S/c1-25-19(22)17-12-15(26-18(21)14-8-4-2-5-9-14)13-20(17)27(23,24)16-10-6-3-7-11-16/h2-11,15,17H,12-13H2,1H3/t15-,17+/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


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


Bioorg Med Chem 16: 7932-8 (2008)


Article DOI: 10.1016/j.bmc.2008.07.073
BindingDB Entry DOI: 10.7270/Q2MP533K
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50253478
PNG
(1-Benzenesulfonyl-4-benzoyloxy-pyrrolidine-2-carbo...)
Show SMILES COC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)c1ccccc1)OC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C19H19NO6S/c1-25-19(22)17-12-15(26-18(21)14-8-4-2-5-9-14)13-20(17)27(23,24)16-10-6-3-7-11-16/h2-11,15,17H,12-13H2,1H3/t15-,17+/m1/s1
PDB

NCI pathway
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 4.38E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of APN (unknown origin) by spectrophotometric assay


Bioorg Med Chem 16: 7932-8 (2008)


Article DOI: 10.1016/j.bmc.2008.07.073
BindingDB Entry DOI: 10.7270/Q2MP533K
More data for this
Ligand-Target Pair