BDBM50566632 CHEMBL4850549

SMILES CNc1nc(NC2CCC(CC2)C(=O)NCc2ccccc2C(F)(F)F)nc(n1)N1CCN(C)CC1

InChI Key InChIKey=CWGGAJOYHPQCLI-UHFFFAOYSA-N

Data  7 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50566632   

TargetBifunctional epoxide hydrolase 2(Human)
Gsk

Curated by ChEMBL
LigandPNGBDBM50566632(CHEMBL4850549)
Affinity DataIC50: 9nMAssay Description:Inhibition of human sEH using EnzChek as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured every 30 secs for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Gsk

Curated by ChEMBL
LigandPNGBDBM50566632(CHEMBL4850549)
Affinity DataIC50: 3.30E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Gsk

Curated by ChEMBL
LigandPNGBDBM50566632(CHEMBL4850549)
Affinity DataIC50: 3.20E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Gsk

Curated by ChEMBL
LigandPNGBDBM50566632(CHEMBL4850549)
Affinity DataIC50: 3.30E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Gsk

Curated by ChEMBL
LigandPNGBDBM50566632(CHEMBL4850549)
Affinity DataIC50: 3.30E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Gsk

Curated by ChEMBL
LigandPNGBDBM50566632(CHEMBL4850549)
Affinity DataIC50: 2.20E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) using diethoxyfluorescein as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Gsk

Curated by ChEMBL
LigandPNGBDBM50566632(CHEMBL4850549)
Affinity DataIC50: 3.30E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) using 7-benzyloxyquinoline as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed