BDBM50561485 CHEMBL4757630

SMILES CC(C#Cc1cccc(c1)C(=O)NCCC(c1ccccc1)c1ccc(OC(F)(F)F)cc1)N(O)C(N)=O

InChI Key InChIKey=HQXPQGGUDYBGKG-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50561485   

TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
Goethe-University of Frankfurt

Curated by ChEMBL

LigandBDBM50561485(CHEMBL4757630)Copy SMILESCopy InChI

Affinity DataIC50:  110nMAssay Description:Inhibition of 5-LOX (unknown origin) expressed in Escherichia coli BL21-(DE3) pre-incubated for 15 mins before AA substrate addition and measured aft...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankGoogleScholar

Ligand InfoPC cidPC sidPDB

In DepthDetails ArticlePubMed
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TargetBifunctional epoxide hydrolase 2(Human)
Goethe-University of Frankfurt

Curated by ChEMBL

LigandBDBM50561485(CHEMBL4757630)Copy SMILESCopy InChI

Affinity DataIC50:  7nMAssay Description:Inhibition of human sEH (1 to 555 residues) expressed in Escherichia coli BL21-(DE3) using PHOME substrate incubated for 30 to 45 mins by fluorescenc...More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoPC cidPC sidPDB

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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Copy reaction URL