BDBM50575471 CHEMBL4861996

SMILES C[C@H](CN)n1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1

InChI Key InChIKey=SPUVZKCBPBVSNW-UHFFFAOYSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50575471   

TargetLeukotriene A-4 hydrolase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50575471(CHEMBL4861996)
Affinity DataIC50: 12nMAssay Description:Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
LigandPNGBDBM50575471(CHEMBL4861996)
Affinity DataIC50: 3.00E+4nMAssay Description:Displacement of [3H]dofetilide from recombinant human ERG stably expressed in HEK293 cell membranes measured after 90 mins by microbeta liquid scinti...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50575471(CHEMBL4861996)
Affinity DataIC50: 2.00E+3nMAssay Description:Reversible inhibition of CYP2C9 in human liver microsomes using midazolam as substrate incubated for 10 mins in presence of NADPH by LC-MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50575471(CHEMBL4861996)
Affinity DataIC50: 1.10E+4nMAssay Description:Reversible inhibition of CYP2D6 in human liver microsomes using midazolam as substrate incubated for 10 mins in presence of NADPH by LC-MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A5(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50575471(CHEMBL4861996)
Affinity DataIC50: 2.00E+4nMAssay Description:Reversible inhibition of CYP3A5 in human liver microsomes using midazolam as substrate incubated for 10 mins in presence of NADPH by LC-MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed