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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 355.5
BDBM50266171

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Leukotriene A-4 hydrolase


(Cavia porcellus)
BDBM50266171
PNG
((R)-2-((S)-3-mercapto-2-methylpropanamido)-3-(4-pr...)
Show SMILES CCCc1ccc(CSC[C@H](NC(=O)[C@H](C)CS)C(O)=O)cc1 |r|
Show InChI InChI=1S/C17H25NO3S2/c1-3-4-13-5-7-14(8-6-13)10-23-11-15(17(20)21)18-16(19)12(2)9-22/h5-8,12,15,22H,3-4,9-11H2,1-2H3,(H,18,19)(H,20,21)/t12-,15+/m1/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 72n/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
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50266171
PNG
((R)-2-((S)-3-mercapto-2-methylpropanamido)-3-(4-pr...)
Show SMILES CCCc1ccc(CSC[C@H](NC(=O)[C@H](C)CS)C(O)=O)cc1 |r|
Show InChI InChI=1S/C17H25NO3S2/c1-3-4-13-5-7-14(8-6-13)10-23-11-15(17(20)21)18-16(19)12(2)9-22/h5-8,12,15,22H,3-4,9-11H2,1-2H3,(H,18,19)(H,20,21)/t12-,15+/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 210n/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