BDBM50511548 CHEMBL4449082

SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc2N(C)C(=O)C3(CCN(CC3)c3nc4N(C)CCCc4c(=O)[nH]3)c2c(F)c1

InChI Key InChIKey=KZUPFZKALLNBBV-UHFFFAOYSA-N

Data  18 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50511548   

TargetCytochrome P450 3A4(Human)
Japanese Foundation For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50511548(CHEMBL4449082)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 to...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPoly [ADP-ribose] polymerase 2(Human)
University of South Australia

Curated by ChEMBL
LigandPNGBDBM50511548(CHEMBL4449082)
Affinity DataIC50: 1.24E+3nMAssay Description:Inhibition of PAPR2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
University of South Australia

Curated by ChEMBL
LigandPNGBDBM50511548(CHEMBL4449082)
Affinity DataIC50: 1.82E+4nMAssay Description:Inhibition of PARP1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetPoly [ADP-ribose] polymerase tankyrase-2(Human)
University of South Australia

Curated by ChEMBL
LigandPNGBDBM50511548(CHEMBL4449082)
Affinity DataIC50: 39nMAssay Description:Inhibition of TNKS2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase tankyrase-1(Human)
University of South Australia

Curated by ChEMBL
LigandPNGBDBM50511548(CHEMBL4449082)
Affinity DataIC50: 36nMAssay Description:Inhibition of TNKS1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2C19(Human)
Japanese Foundation For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50511548(CHEMBL4449082)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate preincubated for 5 mins followed by NADPH addition and measured fo...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2B6(Human)
Japanese Foundation For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50511548(CHEMBL4449082)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 to...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2C9(Human)
Japanese Foundation For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50511548(CHEMBL4449082)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 t...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPoly [ADP-ribose] polymerase tankyrase-1/tankyrase-2(Human)
Japanese Foundation For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50511548(CHEMBL4449082)
Affinity DataIC50: 0.300nMAssay Description:Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 1A2(Human)
Japanese Foundation For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50511548(CHEMBL4449082)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 t...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2D6(Human)
Japanese Foundation For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50511548(CHEMBL4449082)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 to...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2C8(Human)
Japanese Foundation For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50511548(CHEMBL4449082)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProtein mono-ADP-ribosyltransferase PARP10(Human)
Japanese Foundation For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50511548(CHEMBL4449082)
Affinity DataIC50: 8.05E+3nMAssay Description:Inhibition of human recombinant N-terminal TEV-cleavgae site-fused-FLAG/Polyhis-tagged PARP10 (2 to 583 residues) expressed in Escherichia coli asses...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPoly [ADP-ribose] polymerase 2(Human)
University of South Australia

Curated by ChEMBL
LigandPNGBDBM50511548(CHEMBL4449082)
Affinity DataIC50: 1.24E+3nMAssay Description:Inhibition of human recombinant N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 cells assessed as reduction in ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPoly [ADP-ribose] polymerase tankyrase-1/tankyrase-2(Human)
Japanese Foundation For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50511548(CHEMBL4449082)
Affinity DataIC50: 3.10nMAssay Description:Inhibition of TNKS/TNKS2 (unknown origin) expressed in human DLD1 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferas...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase tankyrase-2(Human)
University of South Australia

Curated by ChEMBL
LigandPNGBDBM50511548(CHEMBL4449082)
Affinity DataIC50: 39nMAssay Description:Inhibition of recombinant human N-terminal TEV cleavage site-fused/FLAG-poly his-tagged TNKS2 ARC5-SAM-PARP domain (613 to 1166 residues) expressed i...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase tankyrase-1(Human)
University of South Australia

Curated by ChEMBL
LigandPNGBDBM50511548(CHEMBL4449082)
Affinity DataIC50: 36nMAssay Description:Inhibition of recombinant human N-terminal TEV cleavage site-fused/FLAG-poly his-tagged TNKS SAM-PARP domain (1024 to 1327 residues) expressed in Esc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 1(Human)
University of South Australia

Curated by ChEMBL
LigandPNGBDBM50511548(CHEMBL4449082)
Affinity DataIC50: 1.82E+4nMAssay Description:Inhibition of recombinant human PARP1 expressed in Escherichia coli assessed as reduction in auto-PARylation using histone as substrate measured afte...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed