BDBM50536168 CHEMBL4574111

SMILES Cl.Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1

InChI Key InChIKey=XDKJSYWURYRAKR-UHFFFAOYSA-N

Data  12 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 12 hits for monomerid = 50536168   

TargetCytochrome P450 1A2(Homo sapiens (Human))
Arqule

Curated by ChEMBL
LigandPNGBDBM50536168(CHEMBL4574111)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 10 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Arqule

Curated by ChEMBL
LigandPNGBDBM50536168(CHEMBL4574111)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 10 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Arqule

Curated by ChEMBL
LigandPNGBDBM50536168(CHEMBL4574111)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 10 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Arqule

Curated by ChEMBL
LigandPNGBDBM50536168(CHEMBL4574111)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate after 10 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Arqule

Curated by ChEMBL
LigandPNGBDBM50536168(CHEMBL4574111)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 10 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetRAC-gamma serine/threonine-protein kinase(Homo sapiens (Human))
Arqule

Curated by ChEMBL
LigandPNGBDBM50536168(CHEMBL4574111)
Affinity DataIC50:  4nMAssay Description:Inhibition of full length unphosphorylated AKT3 (1 to 479 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetRAC-beta serine/threonine-protein kinase(Homo sapiens (Human))
Arqule

Curated by ChEMBL
LigandPNGBDBM50536168(CHEMBL4574111)
Affinity DataIC50:  2.80nMAssay Description:Inhibition of full length active AKT2 (1 to 481 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-GRPRTSSFAE...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetRAC-beta serine/threonine-protein kinase(Homo sapiens (Human))
Arqule

Curated by ChEMBL
LigandPNGBDBM50536168(CHEMBL4574111)
Affinity DataIC50:  5.40nMAssay Description:Inhibition of full length unphosphorylated AKT2 (1 to 481 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetRAC-gamma serine/threonine-protein kinase(Homo sapiens (Human))
Arqule

Curated by ChEMBL
LigandPNGBDBM50536168(CHEMBL4574111)
Affinity DataIC50:  9nMAssay Description:Inhibition of full length active AKT3 (1 to 479 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-GRPRTSSFAE...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Arqule

Curated by ChEMBL
LigandPNGBDBM50536168(CHEMBL4574111)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 10 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
Arqule

Curated by ChEMBL
LigandPNGBDBM50536168(CHEMBL4574111)
Affinity DataIC50:  1.90nMAssay Description:Inhibition of full length unphosphorylated AKT1 (1 to 480 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
Arqule

Curated by ChEMBL
LigandPNGBDBM50536168(CHEMBL4574111)
Affinity DataIC50:  2.60nMAssay Description:Inhibition of full length active AKT1 (1 to 480 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-GRPRTSSFAE...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed