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BDBM50070449 2-Oxo-4-(pyridin-2-ylmethylsulfanyl)-azetidine-1-carboxylic acid ((S)-2-hydroxy-1-phenyl-ethyl)-amide::CHEMBL36353

SMILES: OC[C@@H](NC(=O)N1C(CC1=O)SCc1ccccn1)c1ccccc1

InChI Key: InChIKey=IRZVPGLYRJGEBO-LDCVWXEPSA-N

Data: 5 IC50

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50070449   
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
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50070449
PNG
(2-Oxo-4-(pyridin-2-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES OC[C@@H](NC(=O)N1C(CC1=O)SCc1ccccn1)c1ccccc1
Show InChI InChI=1S/C18H19N3O3S/c22-11-15(13-6-2-1-3-7-13)20-18(24)21-16(23)10-17(21)25-12-14-8-4-5-9-19-14/h1-9,15,17,22H,10-12H2,(H,20,24)/t15-,17?/m1/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human cytomegalovirus(HCMV) protease


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50070449
PNG
(2-Oxo-4-(pyridin-2-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES OC[C@@H](NC(=O)N1C(CC1=O)SCc1ccccn1)c1ccccc1
Show InChI InChI=1S/C18H19N3O3S/c22-11-15(13-6-2-1-3-7-13)20-18(24)21-16(23)10-17(21)25-12-14-8-4-5-9-19-14/h1-9,15,17,22H,10-12H2,(H,20,24)/t15-,17?/m1/s1
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>7.50E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase(PPE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens (Human))
BDBM50070449
PNG
(2-Oxo-4-(pyridin-2-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES OC[C@@H](NC(=O)N1C(CC1=O)SCc1ccccn1)c1ccccc1
Show InChI InChI=1S/C18H19N3O3S/c22-11-15(13-6-2-1-3-7-13)20-18(24)21-16(23)10-17(21)25-12-14-8-4-5-9-19-14/h1-9,15,17,22H,10-12H2,(H,20,24)/t15-,17?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>7.50E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50070449
PNG
(2-Oxo-4-(pyridin-2-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES OC[C@@H](NC(=O)N1C(CC1=O)SCc1ccccn1)c1ccccc1
Show InChI InChI=1S/C18H19N3O3S/c22-11-15(13-6-2-1-3-7-13)20-18(24)21-16(23)10-17(21)25-12-14-8-4-5-9-19-14/h1-9,15,17,22H,10-12H2,(H,20,24)/t15-,17?/m1/s1
PDB
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Reactome pathway
KEGG

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PC sid
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Article
PubMed
n/an/a>7.50E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Cathepsin B


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50070449
PNG
(2-Oxo-4-(pyridin-2-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES OC[C@@H](NC(=O)N1C(CC1=O)SCc1ccccn1)c1ccccc1
Show InChI InChI=1S/C18H19N3O3S/c22-11-15(13-6-2-1-3-7-13)20-18(24)21-16(23)10-17(21)25-12-14-8-4-5-9-19-14/h1-9,15,17,22H,10-12H2,(H,20,24)/t15-,17?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>7.50E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase protease(HLE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair