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BDBM50272099 (2S,5S)-1-((S)-3-mercapto-2-methylpropanoyl)-5-(naphthalen-1-ylmethylthio)pyrrolidine-2-carboxylic acid::CHEMBL526896

SMILES: C[C@H](CS)C(=O)N1[C@H](CC[C@H]1C(O)=O)SCc1cccc2ccccc12

InChI Key: InChIKey=ZAWBEQGYRDRFPU-BVGQSLNGSA-N

Data: 2 IC50

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 = 50272099   
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
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50272099
PNG
((2S,5S)-1-((S)-3-mercapto-2-methylpropanoyl)-5-(na...)
Show SMILES C[C@H](CS)C(=O)N1[C@H](CC[C@H]1C(O)=O)SCc1cccc2ccccc12 |r|
Show InChI InChI=1S/C20H23NO3S2/c1-13(11-25)19(22)21-17(20(23)24)9-10-18(21)26-12-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,13,17-18,25H,9-12H2,1H3,(H,23,24)/t13-,17+,18+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Santen Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of ACE (unknown origin)


Bioorg Med Chem Lett 18: 4529-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.043
BindingDB Entry DOI: 10.7270/Q2PR7VSQ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Cavia porcellus)
BDBM50272099
PNG
((2S,5S)-1-((S)-3-mercapto-2-methylpropanoyl)-5-(na...)
Show SMILES C[C@H](CS)C(=O)N1[C@H](CC[C@H]1C(O)=O)SCc1cccc2ccccc12 |r|
Show InChI InChI=1S/C20H23NO3S2/c1-13(11-25)19(22)21-17(20(23)24)9-10-18(21)26-12-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,13,17-18,25H,9-12H2,1H3,(H,23,24)/t13-,17+,18+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.20E+3n/an/an/an/an/an/a



Santen Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of guinea pig lung leukotriene A4 hydrolase


Bioorg Med Chem Lett 18: 4529-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.043
BindingDB Entry DOI: 10.7270/Q2PR7VSQ
More data for this
Ligand-Target Pair