BDBM50308876 3,4-Dimethoxy-N-[3-(1,2,3,4-tetrahydro-isoquinolin-7-ylcarbamoyl)-benzyl]-benzamide::CHEMBL604087

SMILES COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc2CCNCc2c1

InChI Key InChIKey=AOTJVGQNGQYEAY-UHFFFAOYSA-N

Data  19 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50308876   

TargetCytochrome P450 2D6(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50308876(3,4-Dimethoxy-N-[3-(1,2,3,4-tetrahydro-isoquinolin...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human CYP2D6 by LCMS/MS assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/28/2012
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50308876(3,4-Dimethoxy-N-[3-(1,2,3,4-tetrahydro-isoquinolin...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human CYP3A4 by LCMS/MS assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/28/2012
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase N2(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50308876(3,4-Dimethoxy-N-[3-(1,2,3,4-tetrahydro-isoquinolin...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of PKN2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/28/2012
Entry Details Article
PubMed
TargetTyrosine-protein kinase ITK/TSK(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50308876(3,4-Dimethoxy-N-[3-(1,2,3,4-tetrahydro-isoquinolin...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of ITKMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/28/2012
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase PLK1(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50308876(3,4-Dimethoxy-N-[3-(1,2,3,4-tetrahydro-isoquinolin...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of PLKMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/28/2012
Entry Details Article
PubMed
TargetMitogen-activated protein kinase kinase kinase 11(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50308876(3,4-Dimethoxy-N-[3-(1,2,3,4-tetrahydro-isoquinolin...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of MAP3K11More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/28/2012
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase pim-2(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50308876(3,4-Dimethoxy-N-[3-(1,2,3,4-tetrahydro-isoquinolin...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of PIM2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/28/2012
Entry Details Article
PubMed
TargetTyrosine-protein kinase Lyn(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50308876(3,4-Dimethoxy-N-[3-(1,2,3,4-tetrahydro-isoquinolin...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of LYNMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/28/2012
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase 26(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50308876(3,4-Dimethoxy-N-[3-(1,2,3,4-tetrahydro-isoquinolin...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of MST4More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/28/2012
Entry Details Article
PubMed
TargetFocal adhesion kinase 1(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50308876(3,4-Dimethoxy-N-[3-(1,2,3,4-tetrahydro-isoquinolin...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of PTK2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/28/2012
Entry Details Article
PubMed
TargetcGMP-dependent protein kinase 1(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50308876(3,4-Dimethoxy-N-[3-(1,2,3,4-tetrahydro-isoquinolin...)
Affinity DataIC50: 5.60E+3nMAssay Description:Inhibition of PRKG1More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/28/2012
Entry Details Article
PubMed
TargetProtein kinase C epsilon type(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50308876(3,4-Dimethoxy-N-[3-(1,2,3,4-tetrahydro-isoquinolin...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of PKCepsilonMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/28/2012
Entry Details Article
PubMed
TargetCell division control protein 42 homolog(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50308876(3,4-Dimethoxy-N-[3-(1,2,3,4-tetrahydro-isoquinolin...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of Cdc42More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/28/2012
Entry Details Article
PubMed
TargetVascular endothelial growth factor receptor 1(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50308876(3,4-Dimethoxy-N-[3-(1,2,3,4-tetrahydro-isoquinolin...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of VEGFR1More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/28/2012
Entry Details Article
PubMed
TargetProtein kinase C delta type(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50308876(3,4-Dimethoxy-N-[3-(1,2,3,4-tetrahydro-isoquinolin...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of PRKCDMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/28/2012
Entry Details Article
PubMed
TargetRho-associated protein kinase 2(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50308876(3,4-Dimethoxy-N-[3-(1,2,3,4-tetrahydro-isoquinolin...)
Affinity DataIC50: 33nMAssay Description:Inhibition of human ROCK2 by IMAP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/28/2012
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50308876(3,4-Dimethoxy-N-[3-(1,2,3,4-tetrahydro-isoquinolin...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human CYP1A2 by LCMS/MS assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/28/2012
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50308876(3,4-Dimethoxy-N-[3-(1,2,3,4-tetrahydro-isoquinolin...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human CYP2C9 by LCMS/MS assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/28/2012
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50308876(3,4-Dimethoxy-N-[3-(1,2,3,4-tetrahydro-isoquinolin...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human CYP2C19 by LCMS/MS assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/28/2012
Entry Details Article
PubMed