BDBM50532639 CHEMBL4447846

SMILES COc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1ccc2cccnc2c1

InChI Key InChIKey=YMLDFYDEWIBRLP-UHFFFAOYSA-N

Data  12 KI  10 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50532639   

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

Curated by ChEMBL

LigandBDBM50532639(CHEMBL4447846)Copy SMILESCopy InChI

Affinity DataKi:  2nMAssay 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 InfoPDBReactome pathwayKEGG
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Ligand InfoPC cidPC sid

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

Curated by ChEMBL

LigandBDBM50532639(CHEMBL4447846)Copy SMILESCopy InChI

Affinity DataKi:  2nMAssay 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 InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
DrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
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TargetD(3) dopamine receptor(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532639(CHEMBL4447846)Copy SMILESCopy InChI

Affinity DataKi:  32nMAssay 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 InfoPDBReactome pathway
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
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TargetD(3) dopamine receptor(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532639(CHEMBL4447846)Copy SMILESCopy InChI

Affinity DataKi:  32nMAssay 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 InfoPDBReactome pathway
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
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TargetD(2) dopamine receptor(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532639(CHEMBL4447846)Copy SMILESCopy InChI

Affinity DataKi:  240nMAssay 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 InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
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Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
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TargetD(2) dopamine receptor(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532639(CHEMBL4447846)Copy SMILESCopy InChI

Affinity DataKi:  240nMAssay 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 InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
DrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
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Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532639(CHEMBL4447846)Copy SMILESCopy InChI

Affinity DataKi:  1.00E+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 InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
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Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
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Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532639(CHEMBL4447846)Copy SMILESCopy InChI

Affinity DataKi:  1.00E+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 InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
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Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
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Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532639(CHEMBL4447846)Copy SMILESCopy InChI

Affinity DataKi:  5.04E+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 InfoPDBReactome pathway
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoPC cidPC sid

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Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532639(CHEMBL4447846)Copy SMILESCopy InChI

Affinity DataKi:  5.04E+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 InfoPDBReactome pathway
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
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Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532639(CHEMBL4447846)Copy SMILESCopy InChI

Affinity DataKi:  6.25E+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 InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
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Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
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Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532639(CHEMBL4447846)Copy SMILESCopy InChI

Affinity DataKi:  6.25E+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 InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
DrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
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TargetCytochrome P450 1A2(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532639(CHEMBL4447846)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 InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
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Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
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TargetCytochrome P450 1A2(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532639(CHEMBL4447846)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 InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
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TargetCytochrome P450 2D6(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532639(CHEMBL4447846)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 InfoPDBReactome pathway
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Ligand InfoPC cidPC sid

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TargetCytochrome P450 3A4(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532639(CHEMBL4447846)Copy SMILESCopy InChI

Affinity DataIC50:  2.00E+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 InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
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TargetCytochrome P450 2C9(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532639(CHEMBL4447846)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 InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
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Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
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TargetCytochrome P450 2C19(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532639(CHEMBL4447846)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 InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
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TargetCytochrome P450 3A4(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532639(CHEMBL4447846)Copy SMILESCopy InChI

Affinity DataIC50:  2.00E+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 InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetCytochrome P450 2D6(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532639(CHEMBL4447846)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 InfoPDBReactome pathway
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetCytochrome P450 2C9(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532639(CHEMBL4447846)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 InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetCytochrome P450 2C19(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL

LigandBDBM50532639(CHEMBL4447846)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 InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
Copy BDB DOI