BDBM50295052 2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f]quinolin-2-yl]methyl}piperazin-1-yl)-quinoline-6-carbonitrile::CHEMBL551964

SMILES Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(ccc5n4)C#N)COc3ccc2n1

InChI Key InChIKey=AIBSVCNXTNBLRF-UHFFFAOYSA-N

Data  5 KI  5 IC50

  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 10 hits for monomerid = 50295052   

TargetCytochrome P450 2C9(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50295052(2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...)
Affinity DataIC50: 3.58E+5nMAssay Description:Inhibition of CYP2C9 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50295052(2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...)
Affinity DataIC50: 2.90E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50295052(2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...)
Affinity DataIC50: 9.80E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50295052(2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1A(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50295052(2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...)
Affinity DataIC50: 102nMAssay Description:Antagonist activity at human 5HT1A receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1A(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50295052(2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...)
Affinity DataKi:  3.70nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Rat)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50295052(2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...)
Affinity DataKi:  13.8nMAssay Description:Displacement of [3H]paroxetine from 5HT transporter in rat cortical membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50295052(2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...)
Affinity DataKi:  1.31E+3nMAssay Description:Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
TargetD(3) dopamine receptor(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50295052(2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...)
Affinity DataKi:  1.32E+3nMAssay Description:Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
TargetD(4) dopamine receptor(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50295052(2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...)
Affinity DataKi:  1.42E+3nMAssay Description:Displacement of [3H]spiperone from human dopamine D4 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed