BDBM50462158 CHEMBL4239823

SMILES O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1cccc2sccc12)c1cncc2ccccc12

InChI Key InChIKey=WFZGNCZPMNZWQB-UHFFFAOYSA-N

Data  11 KI  5 IC50  1 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 17 hits for monomerid = 50462158   

TargetCytochrome P450 2D6(Human)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50462158(CHEMBL4239823)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human supersome CYP2D6 using bufuralol as substrate assessed as bufuralol 1'-hydroxylation after 30 mins by HPLC-UV detectionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50462158(CHEMBL4239823)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human supersome CYP3A4 using testosterone as substrate assessed as testosterone 6beta-hydroxylation after 30 mins by HPLC-UV detectionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50462158(CHEMBL4239823)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human supersome CYP2C19 using perazine as substrate assessed as perazine N-demethylation after 30 mins by HPLC-UV detectionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50462158(CHEMBL4239823)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human supersome CYP2C9 using diclofenac as substrate assessed as diclofenac 4'-hydroxylation after 30 mins by HPLC-UV detectionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50462158(CHEMBL4239823)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human supersome CYP1A2 using caffeine as substrate assessed as caffeine 3-N-demethylation after 30 mins by HPLC-UV detectionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1A(Human)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50462158(CHEMBL4239823)
Affinity DataEC50:  28nMAssay Description:Partial agonist activity at human 5-HT1AR expressed in CHO-K1 cells assessed as increase in cAMP accumulation by chemiluminescence-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Human)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50462158(CHEMBL4239823)
Affinity DataKi:  9nMAssay Description:Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Human)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50462158(CHEMBL4239823)
Affinity DataKi:  9nMAssay Description:Displacement of [3H]-ketanserin from human 5-HT2AR expressed in CHO-K1 cell membranes after 1.5 hrs by microbeta counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Human)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50462158(CHEMBL4239823)
Affinity DataKi:  11nMAssay Description:Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Human)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50462158(CHEMBL4239823)
Affinity DataKi:  11nMAssay Description:Displacement of [3H]methyl-spiperone from recombinant human dopamine D2 receptor after 60 mins by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1A(Human)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50462158(CHEMBL4239823)
Affinity DataKi:  18nMAssay Description:Displacement of [3H]-WAY100635 from recombinant full-length human 5-HT1AR expressed in CHO cells after 120 mins by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1A(Human)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50462158(CHEMBL4239823)
Affinity DataKi:  18nMAssay Description:Displacement of [3H]-8-OH-DPAT from human 5-HT1AR expressed in HEK293 cell membranes after 1 hr by microbeta counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Human)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50462158(CHEMBL4239823)
Affinity DataKi:  19nMAssay Description:Displacement of [3H]-5-CT from human 5-HT7R expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Human)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50462158(CHEMBL4239823)
Affinity DataKi:  19nMAssay Description:Displacement of [3H]LSD from recombinant human 5-HT7R after 120 mins by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50462158(CHEMBL4239823)
Affinity DataKi:  76nMAssay Description:Displacement of [3H]imipramine from recombinant human SERT expressed in CHO cells after 60 mins by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 6(Human)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50462158(CHEMBL4239823)
Affinity DataKi:  116nMAssay Description:Displacement of [3H]-LSD from human 5-HT6R expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 6(Human)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50462158(CHEMBL4239823)
Affinity DataKi:  116nMAssay Description:Displacement of [3H]LSD from recombinant human 5-HT6R after 120 mins by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed