BDBM50044656 CHEMBL3353348::US10358436, Example A35::US9907800, Example A35

SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN(C)C)cc5)n[nH]c4c3)c2c1

InChI Key

Data  21 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 21 hits for monomerid = 50044656   

TargetCytochrome P450 2D6(Homo sapiens (Human))
Entremed

Curated by ChEMBL
LigandPNGBDBM50044656(CHEMBL3353348 | US10358436, Example A35 | US990780...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin) using AMMC substrate after 45 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAurora kinase B(Homo sapiens (Human))
University Health Network

US Patent
LigandPNGBDBM50044656(CHEMBL3353348 | US10358436, Example A35 | US990780...)
Affinity DataIC50: <100nMAssay Description:Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 1A2(Homo sapiens (Human))
Entremed

Curated by ChEMBL
LigandPNGBDBM50044656(CHEMBL3353348 | US10358436, Example A35 | US990780...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin) using CEC substrate after 15 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Entremed

Curated by ChEMBL
LigandPNGBDBM50044656(CHEMBL3353348 | US10358436, Example A35 | US990780...)
Affinity DataIC50:  850nMAssay Description:Inhibition of CYP2C9 (unknown origin) using MFC substrate after 45 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Entremed

Curated by ChEMBL
LigandPNGBDBM50044656(CHEMBL3353348 | US10358436, Example A35 | US990780...)
Affinity DataIC50:  750nMAssay Description:Inhibition of CYP2C19 (unknown origin) using MFC substrate after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Entremed

Curated by ChEMBL
LigandPNGBDBM50044656(CHEMBL3353348 | US10358436, Example A35 | US990780...)
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin) using BFC substrate after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor-type tyrosine-protein kinase FLT3(Homo sapiens (Human))
Entremed

Curated by ChEMBL
LigandPNGBDBM50044656(CHEMBL3353348 | US10358436, Example A35 | US990780...)
Affinity DataIC50:  19nMAssay Description:Inhibition of FLT3 (unknown origin) by FRET-based homogeneous assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Entremed

Curated by ChEMBL
LigandPNGBDBM50044656(CHEMBL3353348 | US10358436, Example A35 | US990780...)
Affinity DataIC50:  910nMAssay Description:Inhibition of KDR (unknown origin) by FRET-based homogeneous assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase PLK4(Homo sapiens (Human))
Entremed

Curated by ChEMBL
LigandPNGBDBM50044656(CHEMBL3353348 | US10358436, Example A35 | US990780...)
Affinity DataIC50:  1.10nMAssay Description:Inhibition of human N-terminal GST-tagged PLK4 (1 to 391 residues) expressed in Escherichia coli incubated for 30 mins by ELISA methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Entremed

Curated by ChEMBL
LigandPNGBDBM50044656(CHEMBL3353348 | US10358436, Example A35 | US990780...)
Affinity DataIC50:  3.50E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin) by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Entremed

Curated by ChEMBL
LigandPNGBDBM50044656(CHEMBL3353348 | US10358436, Example A35 | US990780...)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of CYP2C19 (unknown origin) by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Entremed

Curated by ChEMBL
LigandPNGBDBM50044656(CHEMBL3353348 | US10358436, Example A35 | US990780...)
Affinity DataIC50:  7.50E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin) using DBF as substrate by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase PLK4(Homo sapiens (Human))
Entremed

Curated by ChEMBL
LigandPNGBDBM50044656(CHEMBL3353348 | US10358436, Example A35 | US990780...)
Affinity DataIC50:  0.370nMAssay Description:Inhibition of PLK4 (unknown origin) by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase PLK4(Homo sapiens (Human))
Entremed

Curated by ChEMBL
LigandPNGBDBM50044656(CHEMBL3353348 | US10358436, Example A35 | US990780...)
Affinity DataIC50: <100nMAssay Description:PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetAurora kinase B(Homo sapiens (Human))
University Health Network

US Patent
LigandPNGBDBM50044656(CHEMBL3353348 | US10358436, Example A35 | US990780...)
Affinity DataIC50: <100nMAssay Description:Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSerine/threonine-protein kinase PLK4(Homo sapiens (Human))
Entremed

Curated by ChEMBL
LigandPNGBDBM50044656(CHEMBL3353348 | US10358436, Example A35 | US990780...)
Affinity DataIC50: <100nMAssay Description:PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetAurora kinase A(Homo sapiens (Human))
University Health Network

US Patent
LigandPNGBDBM50044656(CHEMBL3353348 | US10358436, Example A35 | US990780...)
Affinity DataIC50:  550nMAssay Description:Aurora A inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetAurora kinase B(Homo sapiens (Human))
University Health Network

US Patent
LigandPNGBDBM50044656(CHEMBL3353348 | US10358436, Example A35 | US990780...)
Affinity DataIC50: <100nMAssay Description:Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSerine/threonine-protein kinase PLK4 [1-391](Homo sapiens (Human))
University Health Network

US Patent
LigandPNGBDBM50044656(CHEMBL3353348 | US10358436, Example A35 | US990780...)
Affinity DataIC50: <100nMAssay Description:Active PLK4 was purified from an E. coli expression system as an amino terminal GST fusion of residues 1-391 of human PLK4. The protein was purified ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetAurora kinase A(Homo sapiens (Human))
University Health Network

US Patent
LigandPNGBDBM50044656(CHEMBL3353348 | US10358436, Example A35 | US990780...)
Affinity DataIC50:  550nMAssay Description:Aurora A inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetAurora kinase B(Homo sapiens (Human))
University Health Network

US Patent
LigandPNGBDBM50044656(CHEMBL3353348 | US10358436, Example A35 | US990780...)
Affinity DataIC50:  15nMAssay Description:Inhibition of AURKB (unknown origin) by FRET-based homogeneous assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed