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BDBM50272199 (2S,5S)-1-((S)-3-Mercapto-2-methyl-propionyl)-5-(2-methyl-benzylsulfanyl)-pyrrolidine-2-carboxylic acid::CHEMBL500408

SMILES: C[C@H](CS)C(=O)N1[C@H](CC[C@H]1C(O)=O)SCc1ccccc1C

InChI Key: InChIKey=VIXKOXBBQAKSPP-SNPRPXQTSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50272199   
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))
BDBM50272199
PNG
((2S,5S)-1-((S)-3-Mercapto-2-methyl-propionyl)-5-(2...)
Show SMILES C[C@H](CS)C(=O)N1[C@H](CC[C@H]1C(O)=O)SCc1ccccc1C |r|
Show InChI InChI=1S/C17H23NO3S2/c1-11-5-3-4-6-13(11)10-23-15-8-7-14(17(20)21)18(15)16(19)12(2)9-22/h3-6,12,14-15,22H,7-10H2,1-2H3,(H,20,21)/t12-,14+,15+/m1/s1
PDB
MMDB

Reactome pathway
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DrugBank
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30n/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)
BDBM50272199
PNG
((2S,5S)-1-((S)-3-Mercapto-2-methyl-propionyl)-5-(2...)
Show SMILES C[C@H](CS)C(=O)N1[C@H](CC[C@H]1C(O)=O)SCc1ccccc1C |r|
Show InChI InChI=1S/C17H23NO3S2/c1-11-5-3-4-6-13(11)10-23-15-8-7-14(17(20)21)18(15)16(19)12(2)9-22/h3-6,12,14-15,22H,7-10H2,1-2H3,(H,20,21)/t12-,14+,15+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 840n/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