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Target
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Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 315.7
BDBM50575468
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
6
hits in this display
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Leukotriene A-4 hydrolase
(Homo sapiens (Human))
BDBM50575468
(CHEMBL4879150)
Show SMILES
NCCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat...
Citation and Details
Article DOI:
10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI:
10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase
(Homo sapiens (Human))
BDBM50575468
(CHEMBL4879150)
Show SMILES
NCCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
129
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of LTA4H in human whole blood assessed as reduction of calcium ionophore A23187-stimulated LTB4 generation preincubated for 15 mins follow...
Citation and Details
Article DOI:
10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI:
10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Cytochrome P450 2C9
(Homo sapiens (Human))
BDBM50575468
(CHEMBL4879150)
Show SMILES
NCCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Reversible inhibition of CYP2C9 in human liver microsomes using midazolam as substrate incubated for 10 mins in presence of NADPH by LC-MS analysis
Citation and Details
Article DOI:
10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI:
10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human))
BDBM50575468
(CHEMBL4879150)
Show SMILES
NCCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
8.50E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Displacement of [3H]dofetilide from recombinant human ERG stably expressed in HEK293 cell membranes measured after 90 mins by microbeta liquid scinti...
Citation and Details
Article DOI:
10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI:
10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Cytochrome P450 2D6
(Homo sapiens (Human))
BDBM50575468
(CHEMBL4879150)
Show SMILES
NCCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
8.50E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Reversible inhibition of CYP2D6 in human liver microsomes using midazolam as substrate incubated for 10 mins in presence of NADPH by LC-MS analysis
Citation and Details
Article DOI:
10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI:
10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Cytochrome P450 3A5
(Homo sapiens (Human))
BDBM50575468
(CHEMBL4879150)
Show SMILES
NCCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>2.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Reversible inhibition of CYP3A5 in human liver microsomes using midazolam as substrate incubated for 10 mins in presence of NADPH by LC-MS analysis
Citation and Details
Article DOI:
10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI:
10.7270/Q2B85CZG
More data for this
Ligand-Target Pair