BDBM50249183 CHEMBL4069245

SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1

InChI Key InChIKey=AEQJLXICIKRMCT-UHFFFAOYSA-N

Data  17 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50249183   

TargetCytochrome P450 3A4(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50249183(CHEMBL4069245)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/16/2019
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50249183(CHEMBL4069245)
Affinity DataIC50: 5.00E+4nMAssay Description:Time dependent inhibition of CYP3A4 (unknown origin) in absence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/16/2019
Entry Details Article
PubMed
LigandPNGBDBM50249183(CHEMBL4069245)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of Nav1.5 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/16/2019
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50249183(CHEMBL4069245)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/16/2019
Entry Details Article
PubMed
LigandPNGBDBM50249183(CHEMBL4069245)
Affinity DataIC50: 1.04E+4nMAssay Description:Inhibition of human SERTMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/16/2019
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50249183(CHEMBL4069245)
Affinity DataIC50: 5.00E+4nMAssay Description:Time dependent inhibition of CYP3A4 (unknown origin) in presence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/16/2019
Entry Details Article
PubMed
LigandPNGBDBM50249183(CHEMBL4069245)
Affinity DataIC50: 9.00E+4nMAssay Description:Inhibition of human ERG by Qpatch electrophysiology methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/16/2019
Entry Details Article
PubMed
TargetInward rectifier potassium channel 2(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50249183(CHEMBL4069245)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of Kir2.1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/16/2019
Entry Details Article
PubMed
LigandPNGBDBM50249183(CHEMBL4069245)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of Cav1.2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/16/2019
Entry Details Article
PubMed
LigandPNGBDBM50249183(CHEMBL4069245)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human ERG by PatchXpress methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/16/2019
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50249183(CHEMBL4069245)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/16/2019
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50249183(CHEMBL4069245)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C8 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/16/2019
Entry Details Article
PubMed
LigandPNGBDBM50249183(CHEMBL4069245)
Affinity DataIC50: 3.00E+4nMAssay Description:Activity at PXR (unknown origin) assessed as CYP inductionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/16/2019
Entry Details Article
PubMed
LigandPNGBDBM50249183(CHEMBL4069245)
Affinity DataIC50: 38nMAssay Description:Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by FLIPR based thallium flux assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/16/2019
Entry Details Article
PubMed
LigandPNGBDBM50249183(CHEMBL4069245)
Affinity DataIC50: 17nMAssay Description:Inhibition of human ROMK expressed in CHO cells at -70 mV holding potential after 6 mins by whole cell patch clamp Qpatch methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/16/2019
Entry Details Article
PubMed
LigandPNGBDBM50249183(CHEMBL4069245)
Affinity DataIC50: 35nMAssay Description:Inhibition of human ROMK channel expressed in HEK293 cells after 30 mins by FLIPR based thallium flux assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/16/2019
Entry Details Article
PubMed
LigandPNGBDBM50249183(CHEMBL4069245)
Affinity DataIC50: 2.16E+4nMAssay Description:Displacement of [35S]MK499 from human ERG expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/16/2019
Entry Details Article
PubMed