BDBM50171971 4-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,5,6,10-tetraaza-dibenzo[a,d]cyclohepten-2-yl)-ethoxy]-3-methyl-benzoic acid::CHEMBL192530

SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(cc3C)C(O)=O)cnc12

InChI Key InChIKey=CSOUXLJIXTUXNU-UHFFFAOYSA-N

Data  8 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50171971   

TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50171971(4-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,...)
Affinity DataEC50:  15nMAssay Description:Effective concentration of the compound towards HIV-1 K103N/Y181C mutant reverse transcriptase activity by 50% measured in cellular assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50171971(4-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,...)
Affinity DataEC50:  1.60nMAssay Description:Effective concentration towards HIV-1 wild type reverse transcriptase activity by 50% measured in cellular assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50171971(4-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,...)
Affinity DataIC50:  221nMpH: 7.8Assay Description:Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 (K103N/Y181C) mutant reverse transcriptase (1-2 nM) by using [3H]-dGTP...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50171971(4-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,...)
Affinity DataIC50:  17nMpH: 7.8Assay Description:Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 wild type reverse transcriptase (1-2 nM) by using [3H]-dGTP (71 nM) a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50171971(4-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,...)
Affinity DataIC50:  2.40E+4nMAssay Description:Inhibitory concentration (1.5 mM) against human CYP450 3A4 dissolved in acetonitrile/methanol using 7-Benzyloxy-4-(trifluoromethyl)coumarin (BFC) as ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50171971(4-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibitory concentration (1.5 mM) against human CYP450 1A2 dissolved in acetonitrile/methanolMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50171971(4-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibitory concentration (1.5 mM) against human CYP450 2D6 dissolved in acetonitrile/methanolMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50171971(4-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,...)
Affinity DataIC50:  1.00E+4nMAssay Description:Inhibitory concentration (1.5 mM) against human CYP450 2C9 dissolved in acetonitrile/methanolMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50171971(4-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,...)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibitory concentration (1.5 mM) against human CYP450 2C19 dissolved in acetonitrile/methanolMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50171971(4-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibitory concentration (1.5 mM) against human CYP450 3A4 dissolved in acetonitrile/methanol using 7-Benzyloxy-quinoline (BQ) as fluorogenic substra...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed