BDBM56974 7-amyl-8-[[4-(5-chloro-2-methyl-phenyl)piperazino]methyl]-3-methyl-xanthine::8-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methyl]-3-methyl-7-pentyl-purine-2,6-dione::8-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl]-3-methyl-7-pentylpurine-2,6-dione::8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-methyl-7-pentylpurine-2,6-dione::8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione::MLS000093027::SMR000028662::cid_3238162

SMILES CCCCCn1c(CN2CCN(CC2)c2cc(Cl)ccc2C)nc2n(C)c(=O)[nH]c(=O)c12

InChI Key InChIKey=VGUQRMAVQQWYIG-UHFFFAOYSA-N

Data  3 EC50

  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 3 hits for monomerid = 56974   

TargetG-protein coupled receptor 55(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 56974BDBM56974(cid_3238162 | 8-{[4-(5-chloro-2-methylphenyl)piper...)
Affinity DataEC50:  4.70E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
TargetVoltage-dependent T-type calcium channel subunit alpha-1H(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 56974BDBM56974(cid_3238162 | 8-{[4-(5-chloro-2-methylphenyl)piper...)
Affinity DataEC50:  5.57E+3nMAssay Description:Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/1/2011
Entry Details
PCBioAssay
TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 56974BDBM56974(cid_3238162 | 8-{[4-(5-chloro-2-methylphenyl)piper...)
Affinity DataEC50:  1.50E+5nMAssay Description:Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/8/2011
Entry Details
PCBioAssay