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BDBM50266243 (R)-2-((S)-3-mercapto-2-methylpropanamido)-3-(4-nitrobenzylthio)propanoic acid::CHEMBL456278

SMILES: C[C@H](CS)C(=O)N[C@@H](CSCc1ccc(cc1)[N+]([O-])=O)C(O)=O

InChI Key: InChIKey=LMWXKJGGEYQKHD-SKDRFNHKSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50266243   
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))
BDBM50266243
PNG
((R)-2-((S)-3-mercapto-2-methylpropanamido)-3-(4-ni...)
Show SMILES C[C@H](CS)C(=O)N[C@@H](CSCc1ccc(cc1)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C14H18N2O5S2/c1-9(6-22)13(17)15-12(14(18)19)8-23-7-10-2-4-11(5-3-10)16(20)21/h2-5,9,12,22H,6-8H2,1H3,(H,15,17)(H,18,19)/t9-,12+/m1/s1
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MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 320n/an/an/an/an/an/a



Santen Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of angiotensin-converting enzyme (unknown origin) in whole blood by HPLC


Bioorg Med Chem Lett 19: 442-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.042
BindingDB Entry DOI: 10.7270/Q20K28FC
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Cavia porcellus)
BDBM50266243
PNG
((R)-2-((S)-3-mercapto-2-methylpropanamido)-3-(4-ni...)
Show SMILES C[C@H](CS)C(=O)N[C@@H](CSCc1ccc(cc1)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C14H18N2O5S2/c1-9(6-22)13(17)15-12(14(18)19)8-23-7-10-2-4-11(5-3-10)16(20)21/h2-5,9,12,22H,6-8H2,1H3,(H,15,17)(H,18,19)/t9-,12+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



Santen Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in guinea pig lung assessed as inhibition of LTB4 production


Bioorg Med Chem Lett 19: 442-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.042
BindingDB Entry DOI: 10.7270/Q20K28FC
More data for this
Ligand-Target Pair