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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50521307   
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
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50521307
PNG
(CHEMBL4559364)
Show SMILES Cc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1nc2ccccc2s1
Show InChI InChI=1S/C22H17Cl2N3O2S/c1-13-8-16(25-22(28)26-17-10-14(23)9-15(24)11-17)6-7-19(13)29-12-21-27-18-4-2-3-5-20(18)30-21/h2-11H,12H2,1H3,(H2,25,26,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH preincubated for 10 mins followed by PHOME substrate addition and measured after 60 mins by fluorescence-based as...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50521307
PNG
(CHEMBL4559364)
Show SMILES Cc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1nc2ccccc2s1
Show InChI InChI=1S/C22H17Cl2N3O2S/c1-13-8-16(25-22(28)26-17-10-14(23)9-15(24)11-17)6-7-19(13)29-12-21-27-18-4-2-3-5-20(18)30-21/h2-11H,12H2,1H3,(H2,25,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 720n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils preincubated for 10 mins followed by Ca2+ ionophore A23187 addition and measured after 10 mins by RP-HPLC ana...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair