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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 383.5
BDBM50266248

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)
BDBM50266248
PNG
((2R)-3-(1-(4-isopropylphenyl)propylthio)-2-((S)-3-...)
Show SMILES CCC(SC[C@H](NC(=O)[C@H](C)CS)C(O)=O)c1ccc(cc1)C(C)C |r|
Show InChI InChI=1S/C19H29NO3S2/c1-5-17(15-8-6-14(7-9-15)12(2)3)25-11-16(19(22)23)20-18(21)13(4)10-24/h6-9,12-13,16-17,24H,5,10-11H2,1-4H3,(H,20,21)(H,22,23)/t13-,16+,17?/m1/s1
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Article
PubMed
n/an/a 67n/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))
BDBM50266248
PNG
((2R)-3-(1-(4-isopropylphenyl)propylthio)-2-((S)-3-...)
Show SMILES CCC(SC[C@H](NC(=O)[C@H](C)CS)C(O)=O)c1ccc(cc1)C(C)C |r|
Show InChI InChI=1S/C19H29NO3S2/c1-5-17(15-8-6-14(7-9-15)12(2)3)25-11-16(19(22)23)20-18(21)13(4)10-24/h6-9,12-13,16-17,24H,5,10-11H2,1-4H3,(H,20,21)(H,22,23)/t13-,16+,17?/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 340n/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