BDBM50329939 CHEMBL1271930::N-(2-(4-(2,3-dimethylphenyl)piperazin-1-yl)ethyl)-6-methyl-2-(methylthio)pyrimidine-4-carboxamide hydrochloride

SMILES CSc1nc(C)cc(n1)C(=O)NCCN1CCN(CC1)c1cccc(C)c1C

InChI Key InChIKey=QSZPLPGSNSWIMT-UHFFFAOYSA-N

Data  8 IC50

  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 8 hits for monomerid = 50329939   

Target5-hydroxytryptamine receptor 2A(Human)
Green Cross

Curated by ChEMBL
LigandPNGBDBM50329939(N-(2-(4-(2,3-dimethylphenyl)piperazin-1-yl)ethyl)-...)
Affinity DataIC50: 47nMAssay Description:Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in CHO-K1 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Human)
Green Cross

Curated by ChEMBL
LigandPNGBDBM50329939(N-(2-(4-(2,3-dimethylphenyl)piperazin-1-yl)ethyl)-...)
Affinity DataIC50: 148nMAssay Description:Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHO-K1 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
Green Cross

Curated by ChEMBL
LigandPNGBDBM50329939(N-(2-(4-(2,3-dimethylphenyl)piperazin-1-yl)ethyl)-...)
Affinity DataIC50: 1.01E+3nMAssay Description:Displacement of [3H]imipramine from human recombinant SERT receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
LigandPNGBDBM50329939(N-(2-(4-(2,3-dimethylphenyl)piperazin-1-yl)ethyl)-...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human ERG channelMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Green Cross

Curated by ChEMBL
LigandPNGBDBM50329939(N-(2-(4-(2,3-dimethylphenyl)piperazin-1-yl)ethyl)-...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Green Cross

Curated by ChEMBL
LigandPNGBDBM50329939(N-(2-(4-(2,3-dimethylphenyl)piperazin-1-yl)ethyl)-...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Green Cross

Curated by ChEMBL
LigandPNGBDBM50329939(N-(2-(4-(2,3-dimethylphenyl)piperazin-1-yl)ethyl)-...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Green Cross

Curated by ChEMBL
LigandPNGBDBM50329939(N-(2-(4-(2,3-dimethylphenyl)piperazin-1-yl)ethyl)-...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed