BDBM50532637 CHEMBL4469309

SMILES COc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1cncc2ccccc12

InChI Key InChIKey=GSHJIIAYCVNFDZ-UHFFFAOYSA-N

Data  12 KI  10 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50532637   

Target5-hydroxytryptamine receptor 6(Human)
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532637(CHEMBL4469309)Copy SMILESCopy InChI

Affinity DataKi:  3nMAssay Description:Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cells by microbeta liquid scintillation countingMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

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Date in BDB:
2/27/2021
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Target5-hydroxytryptamine receptor 6(Human)
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532637(CHEMBL4469309)Copy SMILESCopy InChI

Affinity DataKi:  3nMAssay Description:Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cells by microbeta liquid scintillation countingMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
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TargetD(3) dopamine receptor(Human)
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532637(CHEMBL4469309)Copy SMILESCopy InChI

Affinity DataKi:  150nMAssay Description:Displacement of [3H]-methyl-spiperone from human recombinant dopamine D3 receptor expressed in CHO cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/27/2021
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TargetD(3) dopamine receptor(Human)
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532637(CHEMBL4469309)Copy SMILESCopy InChI

Affinity DataKi:  150nMAssay Description:Displacement of [3H]-methyl-spiperone from human recombinant dopamine D3 receptor expressed in CHO cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/27/2021
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TargetD(2) dopamine receptor(Human)
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532637(CHEMBL4469309)Copy SMILESCopy InChI

Affinity DataKi:  3.32E+3nMAssay Description:Displacement of [3H]-Raclopride from human D2L receptor expressed in HEK293 cells by microbeta liquid scintillation countingMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
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TargetD(2) dopamine receptor(Human)
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532637(CHEMBL4469309)Copy SMILESCopy InChI

Affinity DataKi:  3.32E+3nMAssay Description:Displacement of [3H]-Raclopride from human D2L receptor expressed in HEK293 cells by microbeta liquid scintillation countingMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/27/2021
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Target5-hydroxytryptamine receptor 2A(Human)
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532637(CHEMBL4469309)Copy SMILESCopy InChI

Affinity DataKi:  3.36E+3nMAssay Description:Displacement of [3H]-Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by microbeta liquid scintillation countingMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

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Date in BDB:
2/27/2021
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Target5-hydroxytryptamine receptor 2A(Human)
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532637(CHEMBL4469309)Copy SMILESCopy InChI

Affinity DataKi:  3.36E+3nMAssay Description:Displacement of [3H]-Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by microbeta liquid scintillation countingMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
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Target5-hydroxytryptamine receptor 1A(Human)
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532637(CHEMBL4469309)Copy SMILESCopy InChI

Affinity DataKi:  5.01E+3nMAssay Description:Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells by microbeta liquid scintillation countingMore data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
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Ligand InfoPC cidPC sidSimilars

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Date in BDB:
2/27/2021
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Target5-hydroxytryptamine receptor 1A(Human)
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532637(CHEMBL4469309)Copy SMILESCopy InChI

Affinity DataKi:  5.01E+3nMAssay Description:Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells by microbeta liquid scintillation countingMore data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
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Target5-hydroxytryptamine receptor 7(Human)
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532637(CHEMBL4469309)Copy SMILESCopy InChI

Affinity DataKi:  7.83E+3nMAssay Description:Displacement of [3H]-5-CT from human 5-HT7B receptor expressed in HEK293 cells by microbeta liquid scintillation countingMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
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Target5-hydroxytryptamine receptor 7(Human)
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532637(CHEMBL4469309)Copy SMILESCopy InChI

Affinity DataKi:  7.83E+3nMAssay Description:Displacement of [3H]-5-CT from human 5-HT7B receptor expressed in HEK293 cells by microbeta liquid scintillation countingMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
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TargetCytochrome P450 3A4(Human)
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532637(CHEMBL4469309)Copy SMILESCopy InChI

Affinity DataIC50: 2.60E+4nMAssay Description:Inhibition of human CYP3A4 expressed in supersomes assessed as testosterone 6beta-hydroxylation after 15 mins by HPLC analysisMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
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TargetCytochrome P450 3A4(Human)
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532637(CHEMBL4469309)Copy SMILESCopy InChI

Affinity DataIC50: 2.60E+4nMAssay Description:Inhibition of human CYP3A4 expressed in supersomes assessed as testosterone 6beta-hydroxylation after 15 mins by HPLC analysisMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
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TargetCytochrome P450 2C19(Human)
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532637(CHEMBL4469309)Copy SMILESCopy InChI

Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human CYP2C19 expressed in supersomes assessed as perazine N-demethylation after 15 mins by HPLC analysisMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

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Date in BDB:
2/27/2021
Entry Details Article
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TargetCytochrome P450 2D6(Human)
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532637(CHEMBL4469309)Copy SMILESCopy InChI

Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human CYP2D6 expressed in supersomes assessed as bufuralol 1'-hydroxylation after 15 mins by HPLC analysisMore data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPC cidPC sidSimilars

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Date in BDB:
2/27/2021
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TargetCytochrome P450 1A2(Human)
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532637(CHEMBL4469309)Copy SMILESCopy InChI

Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human CYP1A2 expressed in supersomes assessed as caffeine 3-N-demethylation after 15 mins by HPLC analysisMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
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TargetCytochrome P450 2C19(Human)
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532637(CHEMBL4469309)Copy SMILESCopy InChI

Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human CYP2C19 expressed in supersomes assessed as perazine N-demethylation after 15 mins by HPLC analysisMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
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TargetCytochrome P450 2C9(Human)
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532637(CHEMBL4469309)Copy SMILESCopy InChI

Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human CYP2C9 expressed in supersomes assessed as diclofenac 4'-hydroxylation after 15 mins by HPLC analysisMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
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TargetCytochrome P450 2C9(Human)
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532637(CHEMBL4469309)Copy SMILESCopy InChI

Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human CYP2C9 expressed in supersomes assessed as diclofenac 4'-hydroxylation after 15 mins by HPLC analysisMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
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TargetCytochrome P450 2D6(Human)
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532637(CHEMBL4469309)Copy SMILESCopy InChI

Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human CYP2D6 expressed in supersomes assessed as bufuralol 1'-hydroxylation after 15 mins by HPLC analysisMore data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
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TargetCytochrome P450 1A2(Human)
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532637(CHEMBL4469309)Copy SMILESCopy InChI

Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human CYP1A2 expressed in supersomes assessed as caffeine 3-N-demethylation after 15 mins by HPLC analysisMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
Copy BDB DOIPubMed
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