BDBM50177064 3-Benzyl-9-dimethylamino-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one::9-dimethylamino-3-benzyl-3H-5-thia-1,3,6-triazafluoren-4-one::CHEMBL388087::cid_657896

SMILES CN(C)c1ccnc2sc3c(ncn(Cc4ccccc4)c3=O)c12

InChI Key InChIKey=AVJJIBOWEKYOER-UHFFFAOYSA-N

Data  2 KI  4 IC50  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50177064   

TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50177064(CHEMBL388087 | cid_657896 | 3-Benzyl-9-dimethylami...)
Affinity DataEC50:  3.37E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/28/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50177064(CHEMBL388087 | cid_657896 | 3-Benzyl-9-dimethylami...)
Affinity DataEC50: >9.51E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/28/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50177064(CHEMBL388087 | cid_657896 | 3-Benzyl-9-dimethylami...)
Affinity DataEC50:  2.47E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2011
Entry Details
PCBioAssay
TargetUbiquitin-conjugating enzyme E2 N(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50177064(CHEMBL388087 | cid_657896 | 3-Benzyl-9-dimethylami...)
Affinity DataIC50: 2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetMetabotropic glutamate receptor 1(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50177064(CHEMBL388087 | cid_657896 | 3-Benzyl-9-dimethylami...)
Affinity DataIC50: 281nMAssay Description:Antagonist activity at human mGluR1 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilizationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetMetabotropic glutamate receptor 5(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50177064(CHEMBL388087 | cid_657896 | 3-Benzyl-9-dimethylami...)
Affinity DataIC50: 1.00E+5nMAssay Description:Antagonist activity at human mGluR5 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilizationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetMetabotropic glutamate receptor 1(Rat)
Biocampus

Curated by ChEMBL
LigandPNGBDBM50177064(CHEMBL388087 | cid_657896 | 3-Benzyl-9-dimethylami...)
Affinity DataIC50: 281nMAssay Description:Inhibition of rat mGluR1More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetMetabotropic glutamate receptor 1(Rat)
Biocampus

Curated by ChEMBL
LigandPNGBDBM50177064(CHEMBL388087 | cid_657896 | 3-Benzyl-9-dimethylami...)
Affinity DataKi:  87nMAssay Description:Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetMetabotropic glutamate receptor 5(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50177064(CHEMBL388087 | cid_657896 | 3-Benzyl-9-dimethylami...)
Affinity DataKi: >1.00E+5nMAssay Description:Displacement of [3H]MPEP from rat cortex mGluR5More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed