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SMILES: C[C@H](C#Cc1cccc(c1)C(=O)NCCC(c1ccc(F)cc1)c1ccc(F)cc1)N(O)C(N)=O

InChI Key:

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50561492   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50561492
PNG
(CHEMBL4800490)
Show SMILES C[C@H](C#Cc1cccc(c1)C(=O)NCCC(c1ccc(F)cc1)c1ccc(F)cc1)N(O)C(N)=O |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay 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...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00561
BindingDB Entry DOI: 10.7270/Q2ST7TJS
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50561492
PNG
(CHEMBL4800490)
Show SMILES C[C@H](C#Cc1cccc(c1)C(=O)NCCC(c1ccc(F)cc1)c1ccc(F)cc1)N(O)C(N)=O |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 210n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 5-LOX in human PMNL assessed as reduction in 5-HETE and LTB4 formation pre-incubated for 15 mins before addition of AA and A23187 and m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00561
BindingDB Entry DOI: 10.7270/Q2ST7TJS
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50561492
PNG
(CHEMBL4800490)
Show SMILES C[C@H](C#Cc1cccc(c1)C(=O)NCCC(c1ccc(F)cc1)c1ccc(F)cc1)N(O)C(N)=O |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/an/an/an/an/an/a


TBA

Assay 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...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00561
BindingDB Entry DOI: 10.7270/Q2ST7TJS
More data for this
Ligand-Target Pair