BDBM50054691 CHEMBL3318978

SMILES c1cc(c2nnc(n2c1)C3(CC3)c4ccc(cc4)Cl)C5CC5

InChI Key InChIKey=DSIKPABWAOKGSR-UHFFFAOYSA-N

Data  12 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

  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 13 hits for monomerid = 50054691   

TargetNuclear receptor subfamily 1 group I member 2(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50054691(CHEMBL3318978)
Affinity DataEC50:  5.00E+4nMAssay Description:Activation of PXR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2016
Entry Details Article
PubMed
Target11-beta-hydroxysteroid dehydrogenase 1(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50054691(CHEMBL3318978)
Affinity DataIC50: 1.60nMAssay Description:Inhibition of human recombinant 11beta-HSD-1 expressed in HEK293 EBNA cells using [3H]-cortisone and NADPH by scintillation proximity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
Target11-beta-hydroxysteroid dehydrogenase type 2(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50054691(CHEMBL3318978)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human recombinant 11beta-HSD-2 expressed in HEK293 EBNA cells assessed as reduction in cortisone formation ESI mass spectroscopyMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50054691(CHEMBL3318978)
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of human CYP2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2016
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50054691(CHEMBL3318978)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50054691(CHEMBL3318978)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human CYP2C8More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50054691(CHEMBL3318978)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50054691(CHEMBL3318978)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50054691(CHEMBL3318978)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human CYP3A3More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2016
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50054691(CHEMBL3318978)
Affinity DataIC50: 6.00E+4nMAssay Description:Inhibition of human ERG fluxMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2016
Entry Details Article
PubMed
Target11-beta-hydroxysteroid dehydrogenase 1(Mouse)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50054691(CHEMBL3318978)
Affinity DataIC50: 241nMAssay Description:Inhibition of mouse recombinant 11beta-HSD-1 expressed in HEK293 EBNA cells using [3H]-cortisone and NADPH by scintillation proximity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2016
Entry Details Article
PubMed
Target11-beta-hydroxysteroid dehydrogenase 1(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50054691(CHEMBL3318978)
Affinity DataIC50: 13nMAssay Description:Inhibition of human recombinant 11beta-HSD-1 expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
Target11-beta-hydroxysteroid dehydrogenase 1(Mouse)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50054691(CHEMBL3318978)
Affinity DataIC50: 293nMAssay Description:Inhibition of 11beta-HSD-1 in mouse 3T3L1 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2016
Entry Details Article
PubMed