BDBM50133282 (R)-1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione::1-((R)-4-Benzoyl-2-methyl-piperazin-1-yl)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-ethane-1,2-dione::4-Benzoyl-1-[(4-methoxy-1Hpyrrolo[2,3-b]pyridin-3-yl)oxoacetyl]-2-(R)-methylpiperazine::BMS-377806::BMS-378806::BMS-806::CHEMBL337301

SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c2c[nH]c3c2c(ccn3)OC)C(=O)c4ccccc4

InChI Key InChIKey=OKGPFTLYBPQBIX-UHFFFAOYSA-N

Data  10 IC50

PDB links: 6 PDB IDs match 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 10 hits for monomerid = 50133282   

TargetCytochrome P450 1A2(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50133282((R)-1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(4-meth...)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of recombinant CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50133282((R)-1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(4-meth...)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of recombinant CYP2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50133282((R)-1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(4-meth...)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of recombinant CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50133282((R)-1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(4-meth...)
Affinity DataIC50: 9.70E+3nMAssay Description:Inhibition of recombinant CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50133282((R)-1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(4-meth...)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of recombinant CYP3A4 using benzyloxy-4-(trifluoromethyl)coumarin as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50133282((R)-1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(4-meth...)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of recombinant CYP3A4 using 7-benzyloxyresorufin as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50133282((R)-1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(4-meth...)
Affinity DataIC50: 8.00E+4nMAssay Description:Inhibition of human ERG by channel flux assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMed
TargetEnvelope glycoprotein gp160(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50133282((R)-1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(4-meth...)
Affinity DataIC50: 8.70E+3nMAssay Description:Inhibition of HIV1 JRFL gp120 assessed as reduction in CD4/gp 120 complex formation incubated for 1 hr by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetEnvelope glycoprotein gp160(HIV-1)
Duke University Medical Center

Curated by ChEMBL
LigandPNGBDBM50133282((R)-1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(4-meth...)
Affinity DataIC50: 34.4nMAssay Description:Inhibition of HIV1 (isolate YU2) envelope glycoprotein 120-mediated membrane fusion between virus-transfected african green monkey COS cells and huma...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEnvelope glycoprotein gp160(HIV-1)
Duke University Medical Center

Curated by ChEMBL
LigandPNGBDBM50133282((R)-1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(4-meth...)
Affinity DataIC50: 137nMAssay Description:Inhibition of HIV1 (isolate YU2) envelope glycoprotein 120-mediated membrane fusion between virus-transfected african green monkey COS cells and huma...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)