BDBM50248938 CHEMBL4089284::US10981896, Compound 21

SMILES CN(C(=O)CN1CCN(C)CC1)c1ccc(N\C(=C2/C(=O)Nc3ccc(cc23)C(O)=O)c2ccccc2)cc1

InChI Key InChIKey=NOMBUNHXDWBICV-UHFFFAOYSA-N

Data  11 KI  2 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 13 hits for monomerid = 50248938   

TargetMaternal embryonic leucine zipper kinase(Human)
The University of Texas At Austin

Curated by ChEMBL
LigandPNGBDBM50248938(CHEMBL4089284 | US10981896, Compound 21)
Affinity DataIC50: 5.20nMAssay Description:Inhibition of His6-tagged MELK catalytic domain (1 to 340 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells using Bcl-GL as s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/15/2019
Entry Details Article
PubMed
TargetMaternal embryonic leucine zipper kinase(Human)
The University of Texas At Austin

Curated by ChEMBL
LigandPNGBDBM50248938(CHEMBL4089284 | US10981896, Compound 21)
Affinity DataIC50: 5.20nMAssay Description:The top 10 hits from the 1 μM screening and derivatives of MELK-In-1 were subjected to the same assay conditions with varied inhibitor concentra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2021
Entry Details
Go to US Patent

TargetMaternal embryonic leucine zipper kinase(Human)
The University of Texas At Austin

Curated by ChEMBL
LigandPNGBDBM50248938(CHEMBL4089284 | US10981896, Compound 21)
Affinity DataKi:  0.680nMAssay Description:Inhibition of His6-tagged MELK catalytic domain (1 to 340 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells using Bcl-GL as s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/15/2019
Entry Details Article
PubMed
TargetMaternal embryonic leucine zipper kinase(Human)
The University of Texas At Austin

Curated by ChEMBL
LigandPNGBDBM50248938(CHEMBL4089284 | US10981896, Compound 21)
Affinity DataKi:  0.680nMAssay Description:MELK and its substrate, Bcl-G were both recombinantly expressed and purified for use in screening assays (See Methods). 752 compounds from an in-hous...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2021
Entry Details
Go to US Patent

Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Human)
University Of Texas

US Patent
LigandPNGBDBM50248938(CHEMBL4089284 | US10981896, Compound 21)
Affinity DataKi:  4.90nMAssay Description:Candidates for inhibitor selectivity characterization were chosen based on an initial single-timepoint commercial kinome profiling screen performed w...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2021
Entry Details
Go to US Patent

TargetNUAK family SNF1-like kinase 1(Human)
The University of Texas At Austin

Curated by ChEMBL
LigandPNGBDBM50248938(CHEMBL4089284 | US10981896, Compound 21)
Affinity DataKi:  8.60nMAssay Description:Inhibition of full length recombinant human N-terminal GST-tagged NUAK1 expressed in baculovirus infected Sf9 insect cells using CHK peptide as subst...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/15/2019
Entry Details Article
PubMed
TargetNUAK family SNF1-like kinase 1(Human)
The University of Texas At Austin

Curated by ChEMBL
LigandPNGBDBM50248938(CHEMBL4089284 | US10981896, Compound 21)
Affinity DataKi:  8.60nMAssay Description:Candidates for inhibitor selectivity characterization were chosen based on an initial single-timepoint commercial kinome profiling screen performed w...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2021
Entry Details
Go to US Patent

TargetSerine/threonine-protein kinase Chk1(Human)
The University of Texas At Austin

Curated by ChEMBL
LigandPNGBDBM50248938(CHEMBL4089284 | US10981896, Compound 21)
Affinity DataKi:  81nMAssay Description:Inhibition of full length recombinant human N-terminal His-tagged CHK1 expressed in baculovirus infected Sf9 insect cells using CHK peptide as substr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/15/2019
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase Chk1(Human)
The University of Texas At Austin

Curated by ChEMBL
LigandPNGBDBM50248938(CHEMBL4089284 | US10981896, Compound 21)
Affinity DataKi:  81nMAssay Description:Candidates for inhibitor selectivity characterization were chosen based on an initial single-timepoint commercial kinome profiling screen performed w...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2021
Entry Details
Go to US Patent

TargetCalcium/calmodulin-dependent protein kinase kinase 2(Human)
The University of Texas At Austin

Curated by ChEMBL
LigandPNGBDBM50248938(CHEMBL4089284 | US10981896, Compound 21)
Affinity DataKi:  85nMAssay Description:Inhibition of CAMKK2 (unknown origin) using NUAK2 peptide as substrate measured after 30 mins in presence of [gamma32P]ATP by liquid scintillation co...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/15/2019
Entry Details Article
PubMed
TargetCalcium/calmodulin-dependent protein kinase kinase 2(Human)
The University of Texas At Austin

Curated by ChEMBL
LigandPNGBDBM50248938(CHEMBL4089284 | US10981896, Compound 21)
Affinity DataKi:  85nMAssay Description:Candidates for inhibitor selectivity characterization were chosen based on an initial single-timepoint commercial kinome profiling screen performed w...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2021
Entry Details
Go to US Patent

TargetMitogen-activated protein kinase 1(Human)
The University of Texas At Austin

Curated by ChEMBL
LigandPNGBDBM50248938(CHEMBL4089284 | US10981896, Compound 21)
Affinity DataKi:  1.90E+4nMAssay Description:Inhibition of ERK2 (unknown origin) using Ets-1 as substrate measured after 30 mins in presence of [gamma32P]ATP by liquid scintillation counting met...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/15/2019
Entry Details Article
PubMed
TargetMitogen-activated protein kinase 1(Human)
The University of Texas At Austin

Curated by ChEMBL
LigandPNGBDBM50248938(CHEMBL4089284 | US10981896, Compound 21)
Affinity DataKi:  1.90E+4nMAssay Description:Candidates for inhibitor selectivity characterization were chosen based on an initial single-timepoint commercial kinome profiling screen performed w...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2021
Entry Details
Go to US Patent