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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 431.4
BDBM289986

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

Found 1 hit 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))
BDBM289986
PNG
(1-(4-{6-[5-(2H-Pyrazol-3-yl)-pyridin-2-yloxy]-benz...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)c1coc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc12
Show InChI InChI=1S/C23H21N5O4/c1-15(29)27-8-10-28(11-9-27)23(30)19-14-31-21-12-17(3-4-18(19)21)32-22-5-2-16(13-24-22)20-6-7-25-26-20/h2-7,12-14H,8-11H2,1H3,(H,25,26)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.90n/an/an/an/a7.525



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


US Patent US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair