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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 415.4
BDBM50511325

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))
BDBM50511325
PNG
(CHEMBL4475844)
Show SMILES FC(F)(F)Oc1ccc(CCNC(=O)Cc2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C23H20F3NO3/c24-23(25,26)30-21-12-6-17(7-13-21)14-15-27-22(28)16-18-8-10-20(11-9-18)29-19-4-2-1-3-5-19/h1-13H,14-16H2,(H,27,28)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of (His)6 tagged human recombinant LTA4H expressed in Escherichia coli BL21(DE3) using non-fluorescent L-arginine-7-amino-4-methylcoumarin...


ACS Med Chem Lett 11: 298-302 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00330
BindingDB Entry DOI: 10.7270/Q2M3303Q
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50511325
PNG
(CHEMBL4475844)
Show SMILES FC(F)(F)Oc1ccc(CCNC(=O)Cc2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C23H20F3NO3/c24-23(25,26)30-21-12-6-17(7-13-21)14-15-27-22(28)16-18-8-10-20(11-9-18)29-19-4-2-1-3-5-19/h1-13H,14-16H2,(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of full length human soluble epoxide hydrolase (1 to 555 residues) expressed in Escherichia coli BL21(DE3) using non-fluorescent PHOME as ...


ACS Med Chem Lett 11: 298-302 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00330
BindingDB Entry DOI: 10.7270/Q2M3303Q
More data for this
Ligand-Target Pair