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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 629.2
BDBM50304905

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
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50304905
PNG
((R)-3-(5-((1-(tert-butoxycarbonyl)pyrrolidin-2-yl)...)
Show SMILES CC(C)(C)OC(=O)N1CCC[C@@H]1COc1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 |r|
Show InChI InChI=1S/C34H45ClN2O5S/c1-32(2,3)42-31(40)36-17-9-10-24(36)21-41-25-15-16-27-26(18-25)29(43-33(4,5)6)28(19-34(7,8)30(38)39)37(27)20-22-11-13-23(35)14-12-22/h11-16,18,24H,9-10,17,19-21H2,1-8H3,(H,38,39)/t24-/m1/s1
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Similars

Article
PubMed
n/an/a 1.81E+3n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to FLAP in human PMN derived membrane


Bioorg Med Chem Lett 20: 213-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.131
BindingDB Entry DOI: 10.7270/Q2MW2H78
More data for this
Ligand-Target Pair