BDBM50158528 (S)-1-cyclohexyl-2-(furan-3-yl)-N-(2-(5-hydroxy-1H-indol-3-yl)-1-(thiazol-4-yl)ethyl)-1H-benzo[d]imidazole-5-carboxamide::1-cyclohexyl-2-(furan-3-yl)-N-((S)-2-(5-hydroxy-1H-indol-3-yl)-1-(thiazol-4-yl)ethyl)-1H-benzo[d]imidazole-5-carboxamide::CHEMBL376487

SMILES Oc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)c3cscn3)c2c1

InChI Key InChIKey=ZUDPNSAXFSEWCD-SANMLTNESA-N

Data  10 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50158528   

TargetCytochrome P450 1A2(Homo sapiens (Human))
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50158528((S)-1-cyclohexyl-2-(furan-3-yl)-N-(2-(5-hydroxy-1H...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of human liver CYP1A2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50158528((S)-1-cyclohexyl-2-(furan-3-yl)-N-(2-(5-hydroxy-1H...)
Affinity DataIC50:  2.30E+3nMAssay Description:Inhibition of human liver CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50158528((S)-1-cyclohexyl-2-(furan-3-yl)-N-(2-(5-hydroxy-1H...)
Affinity DataIC50:  2.40E+3nMAssay Description:Inhibition of human liver CYP2C19More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50158528((S)-1-cyclohexyl-2-(furan-3-yl)-N-(2-(5-hydroxy-1H...)
Affinity DataIC50:  4.00E+3nMAssay Description:Inhibition of human liver CYP2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50158528((S)-1-cyclohexyl-2-(furan-3-yl)-N-(2-(5-hydroxy-1H...)
Affinity DataIC50:  440nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50158528((S)-1-cyclohexyl-2-(furan-3-yl)-N-(2-(5-hydroxy-1H...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50158528((S)-1-cyclohexyl-2-(furan-3-yl)-N-(2-(5-hydroxy-1H...)
Affinity DataIC50:  2.30E+3nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50158528((S)-1-cyclohexyl-2-(furan-3-yl)-N-(2-(5-hydroxy-1H...)
Affinity DataIC50:  2.40E+3nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50158528((S)-1-cyclohexyl-2-(furan-3-yl)-N-(2-(5-hydroxy-1H...)
Affinity DataIC50:  4.00E+3nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50158528((S)-1-cyclohexyl-2-(furan-3-yl)-N-(2-(5-hydroxy-1H...)
Affinity DataIC50:  400nMAssay Description:Inhibition of human liver CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed