BDBM50444583 CHEMBL3099716::US9340549, 74

SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc(N)c(c1)-c1ncccn1

InChI Key InChIKey=QTAONPFQLNZKSD-XJABCFGWSA-N

Data  9 IC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50444583   

TargetPoly [ADP-ribose] polymerase tankyrase-1 [1091-1325](Homo sapiens (Human))
Amgen

US Patent
LigandPNGBDBM50444583(CHEMBL3099716 | US9340549, 74)
Affinity DataIC50:  8.30nMT: 2°CAssay Description:The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase tankyrase-1 [1091-1325](Homo sapiens (Human))
Amgen

US Patent
LigandPNGBDBM50444583(CHEMBL3099716 | US9340549, 74)
Affinity DataIC50:  1.47nMT: 2°CAssay Description:The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...More data for this Ligand-Target Pair
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50444583(CHEMBL3099716 | US9340549, 74)
Affinity DataIC50:  1.10E+4nMAssay Description:Inhibition of BSEP (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50444583(CHEMBL3099716 | US9340549, 74)
Affinity DataIC50: >4.85E+4nMAssay Description:Binding affinity to NK1 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistamine H1 receptor(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50444583(CHEMBL3099716 | US9340549, 74)
Affinity DataIC50: >4.85E+4nMAssay Description:Binding affinity to histamine H1 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase tankyrase-2(Homo sapiens (Human))TBA
LigandPNGBDBM50444583(CHEMBL3099716 | US9340549, 74)
Affinity DataIC50:  22nMAssay Description:Antagonistic activity against histamine H3 receptor in guinea pig ileumMore data for this Ligand-Target Pair
In DepthDetails PDB3D3D Structure (crystal)
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50444583(CHEMBL3099716 | US9340549, 74)
Affinity DataIC50: >4.85E+4nMAssay Description:Binding affinity to CCR2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50444583(CHEMBL3099716 | US9340549, 74)
Affinity DataIC50: >1.70E+5nMAssay Description:Inhibition of PARP2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50444583(CHEMBL3099716 | US9340549, 74)
Affinity DataIC50: >8.50E+4nMAssay Description:Inhibition of PARP1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase tankyrase-1(Homo sapiens (Human))TBA
LigandPNGBDBM50444583(CHEMBL3099716 | US9340549, 74)
Affinity DataIC50:  2nMAssay Description:Antagonistic activity against histamine H3 receptor in guinea pig ileumMore data for this Ligand-Target Pair
In DepthDetails PDB3D3D Structure (crystal)
TargetD(2) dopamine receptor(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50444583(CHEMBL3099716 | US9340549, 74)
Affinity DataIC50: >4.85E+4nMAssay Description:Binding affinity to dopamine D2 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed