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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 395.5
BDBM24229

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


(Homo sapiens (Human))
BDBM24229
PNG
(Benzthiazole compound, 27n | N-(1-{2-[4-(1,3-benzo...)
Show SMILES CC(=O)NC1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1
Show InChI InChI=1S/C22H25N3O2S/c1-16(26)23-18-11-14-25(15-12-18)13-10-17-6-8-19(9-7-17)27-22-24-20-4-2-3-5-21(20)28-22/h2-9,18H,10-15H2,1H3,(H,23,26)
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Article
PubMed
n/an/a 35n/an/an/an/an/a25



Johnson & Johnson Pharmaceutical



Assay Description
Recombinant human LTA4H was incubated with various concentrations of test compound for 10 min at room temperature in assay buffer, and the substrate,...


J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
BindingDB Entry DOI: 10.7270/Q2GB22CX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM24229
PNG
(Benzthiazole compound, 27n | N-(1-{2-[4-(1,3-benzo...)
Show SMILES CC(=O)NC1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1
Show InChI InChI=1S/C22H25N3O2S/c1-16(26)23-18-11-14-25(15-12-18)13-10-17-6-8-19(9-7-17)27-22-24-20-4-2-3-5-21(20)28-22/h2-9,18H,10-15H2,1H3,(H,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Compounds were assessed for their ability to displace [3H]astemizole using membranes from HEK-293 cells expressing the hERG K+ channel.


J Med Chem 51: 4150-69 (2008)


Article DOI: 10.1021/jm701575k
BindingDB Entry DOI: 10.7270/Q2GB22CX
More data for this
Ligand-Target Pair