BDBM50507371 BMS-823778

SMILES CC(C)(c1cccn2c1nnc2C3(CC3)c4ccc(cc4)Cl)O

InChI Key InChIKey=PTIFVLOBVCIMKL-UHFFFAOYSA-N

Data  2 KI  7 IC50  1 EC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50507371   

TargetCytochrome P450 2C19(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50507371(BMS-823778)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human CYP2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50507371(BMS-823778)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50507371(BMS-823778)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50507371(BMS-823778)
Affinity DataEC50: >5.00E+4nMAssay Description:Activation of PXR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
Target11-beta-hydroxysteroid dehydrogenase 1(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50507371(BMS-823778)
Affinity DataIC50: 2.30nMAssay Description:Inhibition of recombinant human 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-ra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
Target11-beta-hydroxysteroid dehydrogenase 1(Mouse)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50507371(BMS-823778)
Affinity DataIC50: 600nMAssay Description:Inhibition of recombinant mouse 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-ra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 1A2(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50507371(BMS-823778)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50507371(BMS-823778)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
Target11-beta-hydroxysteroid dehydrogenase 1(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50507371(BMS-823778)
Affinity DataKi:  0.900nMAssay Description:Inhibition of recombinant human 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-ra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
Target11-beta-hydroxysteroid dehydrogenase 1(Mouse)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50507371(BMS-823778)
Affinity DataKi:  380nMAssay Description:Inhibition of recombinant mouse 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-ra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)