BDBM50044674 CHEMBL3353355::US10358436, Example A42::US9907800, Example A42

SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCOCC6)cc5)n[nH]c4c3)c2c1

InChI Key InChIKey=RMGQWXVHWUUVLJ-UHFFFAOYSA-N

Data  24 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50044674   

TargetCytochrome P450 3A4(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50044674(CHEMBL3353355 | US9907800, Example A42 | US1035843...)
Affinity DataIC50: 2.40E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin) using BFC as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2016
Entry Details Article
PubMed
TargetReceptor-type tyrosine-protein kinase FLT3(Human)
University Health Network

US Patent
LigandPNGBDBM50044674(CHEMBL3353355 | US9907800, Example A42 | US1035843...)
Affinity DataIC50: 100nMAssay Description:PLK3 inhibition was determined using the Z-Lyte assay kit from Invitrogen (cat #PV3802). The assay was performed using the recommended manufacturer&#...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2020
Entry Details
Go to US Patent

TargetAurora kinase B(Human)
University Health Network

US Patent
LigandPNGBDBM50044674(CHEMBL3353355 | US9907800, Example A42 | US1035843...)
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 Depth
Date in BDB:
6/21/2020
Entry Details
Go to US Patent

TargetAurora kinase A(Human)
University Health Network

US Patent
LigandPNGBDBM50044674(CHEMBL3353355 | US9907800, Example A42 | US1035843...)
Affinity DataIC50: 500nMAssay 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 Depth
Date in BDB:
6/21/2020
Entry Details
Go to US Patent

TargetSerine/threonine-protein kinase PLK4 [1-391](Human)
University Health Network

US Patent
LigandPNGBDBM50044674(CHEMBL3353355 | US9907800, Example A42 | US1035843...)
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 Depth
Date in BDB:
6/21/2020
Entry Details
Go to US Patent

TargetReceptor-type tyrosine-protein kinase FLT3(Human)
University Health Network

US Patent
LigandPNGBDBM50044674(CHEMBL3353355 | US9907800, Example A42 | US1035843...)
Affinity DataIC50: 100nMAssay Description:The enzymatic activity of FLT3 was determined using the Z-Lyte assay kit from Invitrogen (Invitrogen cat #PV3191). The assay was performed using the ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/27/2020
Entry Details
Go to US Patent

TargetAurora kinase B(Human)
University Health Network

US Patent
LigandPNGBDBM50044674(CHEMBL3353355 | US9907800, Example A42 | US1035843...)
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 Depth
Date in BDB:
1/27/2020
Entry Details
Go to US Patent

TargetSerine/threonine-protein kinase PLK4(Human)
University Health Network

US Patent
LigandPNGBDBM50044674(CHEMBL3353355 | US9907800, Example A42 | US1035843...)
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 Depth
Date in BDB:
1/27/2020
Entry Details
Go to US Patent

TargetAurora kinase B(Human)
University Health Network

US Patent
LigandPNGBDBM50044674(CHEMBL3353355 | US9907800, Example A42 | US1035843...)
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 Depth
Date in BDB:
1/27/2020
Entry Details
Go to US Patent

TargetSerine/threonine-protein kinase PLK4(Human)
University Health Network

US Patent
LigandPNGBDBM50044674(CHEMBL3353355 | US9907800, Example A42 | US1035843...)
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 Depth
Date in BDB:
1/27/2020
Entry Details
Go to US Patent

TargetSerine/threonine-protein kinase PLK4(Human)
University Health Network

US Patent
LigandPNGBDBM50044674(CHEMBL3353355 | US9907800, Example A42 | US1035843...)
Affinity DataIC50: 2.20nMAssay Description:Inhibition of PLK4 (unknown origin) by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2016
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase PLK4(Human)
University Health Network

US Patent
LigandPNGBDBM50044674(CHEMBL3353355 | US9907800, Example A42 | US1035843...)
Affinity DataIC50: 2.20nMAssay Description:Inhibition of PLK4 (unknown origin) by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Entremed

Curated by ChEMBL
LigandPNGBDBM50044674(CHEMBL3353355 | US9907800, Example A42 | US1035843...)
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of CYP2C19 (unknown origin) using MFC substrate after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50044674(CHEMBL3353355 | US9907800, Example A42 | US1035843...)
Affinity DataIC50: 6.40E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin) using DBF as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Entremed

Curated by ChEMBL
LigandPNGBDBM50044674(CHEMBL3353355 | US9907800, Example A42 | US1035843...)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of CYP2C19 (unknown origin) by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50044674(CHEMBL3353355 | US9907800, Example A42 | US1035843...)
Affinity DataIC50: 800nMAssay Description:Inhibition of CYP2C9 (unknown origin) by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2016
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase PLK4(Human)
University Health Network

US Patent
LigandPNGBDBM50044674(CHEMBL3353355 | US9907800, Example A42 | US1035843...)
Affinity DataIC50: 2.20nMAssay 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 Depth
Date in BDB:
3/21/2016
Entry Details Article
PubMed
LigandPNGBDBM50044674(CHEMBL3353355 | US9907800, Example A42 | US1035843...)
Affinity DataIC50: 2.40E+4nMAssay Description:Inhibition of KDR (unknown origin) by FRET-based homogeneous assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2016
Entry Details Article
PubMed
TargetReceptor-type tyrosine-protein kinase FLT3(Human)
University Health Network

US Patent
LigandPNGBDBM50044674(CHEMBL3353355 | US9907800, Example A42 | US1035843...)
Affinity DataIC50: 65nMAssay Description:Inhibition of FLT3 (unknown origin) by FRET-based homogeneous assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50044674(CHEMBL3353355 | US9907800, Example A42 | US1035843...)
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 Depth
Date in BDB:
3/21/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Entremed

Curated by ChEMBL
LigandPNGBDBM50044674(CHEMBL3353355 | US9907800, Example A42 | US1035843...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of CYP2D6 (unknown origin) using AMMC substrate after 45 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50044674(CHEMBL3353355 | US9907800, Example A42 | US1035843...)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin) using MFC substrate after 45 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2016
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Entremed

Curated by ChEMBL
LigandPNGBDBM50044674(CHEMBL3353355 | US9907800, Example A42 | US1035843...)
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 Depth
Date in BDB:
3/21/2016
Entry Details Article
PubMed
TargetAurora kinase B(Human)
University Health Network

US Patent
LigandPNGBDBM50044674(CHEMBL3353355 | US9907800, Example A42 | US1035843...)
Affinity DataIC50: 29nMAssay Description:Inhibition of AURKB (unknown origin) by FRET-based homogeneous assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2016
Entry Details Article
PubMed