BDBM50004205 MK-045::MK-0457::TOZASERTIB::US9249124, VX680::VX-68::VX-680

SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1

InChI Key InChIKey=GCIKSSRWRFVXBI-UHFFFAOYSA-N

Data  24 KI  41 IC50  10 Kd

  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 82 hits for monomerid = 50004205   

TargetAurora kinase A(Human)
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataKi:  0.370nMAssay Description:Inhibition of Aurora A (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataKd:  0.501nMAssay Description:Binding affinity to DNA-tagged human partial length AURKA expressed in mammalian expression system by qPCR methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataKi:  0.600nMAssay Description:Inhibition of recombinant N-terminal His6-tagged Aurora A (62 to 344 residues) (unknown origin) expressed in baculovirus expression systemMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataKi:  0.600nMAssay Description:Inhibition of N-terminal His-6-tagged recombinant Aurora 1 (62 to 344) (unknown origin) expressed in baculovirus expression system by radiometric ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2015
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataIC50: 0.600nMAssay Description:Inhibition of Aurora A (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/30/2022
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataIC50: 0.600nMAssay Description:Inhibition of recombinant human N-terminal His6-tagged Aurora A expressed in baculovirus expression system by enzyme coupled assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataIC50: 0.600nMAssay Description:Inhibition of Aurora-A (unknown origin) by kinase-glo luminescent assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetAurora kinase A(Human)
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataIC50: 0.600nMAssay Description:Inhibition of AURA (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetAurora kinase A(Human)
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataIC50: 0.600nMAssay Description:Inhibition of Aurora A kinase (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataKi:  0.650nMAssay Description:Inhibition of Aurora A (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetAurora kinase A(Human)
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataKi:  0.660nMAssay Description:Inhibition of human aurora AMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetAurora kinase A(Human)
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataIC50: 0.700nMAssay Description:Inhibition of aurora A (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/2/2016
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataKi:  0.700nMAssay Description:Inhibition of recombinant N-terminal His6-tagged Aurora A (1 to 403 residues) (unknown origin) expressed in baculovirus expression systemMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2018
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataIC50: 0.950nMAssay Description:Inhibition of aurora A (unknown origin) using Kemptide as substrate after 60 mins by ADP-Glo luminescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataIC50: 0.950nMAssay Description:Inhibition of Aurora A (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataIC50: 0.950nMAssay Description:Inhibition of Aurora A (unknown origin) after 1 hr in presence of ATP by Kinase-Glo reagent-based luminescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataIC50: 1.10nMAssay Description:Inhibition of Aurora kinase A (unknown origin) incubated for 30 mins by Kinase Glo luminescent assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataIC50: 1.90nMAssay Description:Inhibition of Aurora A (unknown origin) using kemptide acetate as substrate measured after 30 mins by kinase-glo luminescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetAurora kinase A(Human)
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataKi:  2nMAssay Description:Inhibition of recombinant Aurora A kinase derived from human Hela cells using kemptide as substrate in presence of [c-32P]ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2018
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataIC50: 2.80nM Kd:  17nMpH: 7.4Assay Description:The binding of inhibitors to Aurora A kinase was analyzed with a MicroCal iTC200 titration calorimeter (GE Healthcare, Piscataway, N.J.). The protein...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/27/2017
Entry Details
US Patent

TargetAurora kinase A(Human)
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataIC50: 2.80nMpH: 7.4 T: 2°CAssay Description:Aurora A was exchanged into 50 mM phosphate buffer (pH 7.4) including 1 mM DTT via PD-10 columns and was concentrated to 20 mg mL-1 using Amicon Ultr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/27/2017
Entry Details
US Patent

TargetHigh affinity nerve growth factor receptor(Human)
Heidelberg University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataKd:  3.20nMAssay Description:Binding affinity to DNA-tagged human partial length TrkA expressed in mammalian expression system by qPCR methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetAurora kinase B(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataKi:  3.40nMAssay Description:Inhibition of Aurora B (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetAurora kinase C(Human)TBA
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataKi:  4.60nMAssay Description:Inhibition of human aurora CMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetAurora kinase C(Human)TBA
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataIC50: 4.60nMAssay Description:Inhibition of Aurora C kinase (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetAurora kinase C(Human)TBA
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataIC50: 4.60nMAssay Description:Inhibition of AURC (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetAurora kinase C(Human)TBA
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataIC50: 4.60nMAssay Description:Inhibition of aurora C (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/2/2016
Entry Details Article
PubMed
TargetAurora kinase C(Human)TBA
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataKi:  4.60nMAssay Description:Inhibition of recombinant N-terminal His6-tagged Aurora C (1 to 309 residues) (unknown origin) expressed in baculovirus expression systemMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2018
Entry Details Article
PubMed
TargetAurora kinase C(Human)TBA
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataKi:  4.60nMAssay Description:Inhibition of recombinant N-terminal His6-tagged Aurora C (1 to 309 residues) (unknown origin) expressed in baculovirus expression systemMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetAurora kinase C(Human)TBA
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataKi:  4.60nMAssay Description:Inhibition of N-terminal His6-tagged Aurora C (1 to 309 residues) (unknown origin) expressed in baculovirus expression systemMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetAurora kinase C(Human)TBA
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataKi:  4.60nMAssay Description:Inhibition of Aurora C (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetAurora kinase C(Human)TBA
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataIC50: 4.60nMAssay Description:Inhibition of Aurora-C (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetAurora kinase C(Human)TBA
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataKi:  4.60nMAssay Description:Inhibition of N-terminal His-6-tagged recombinant Aurora 3 (1 to 309) (unknown origin) expressed in baculovirus expression system by radiometric assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2015
Entry Details Article
PubMed
TargetReceptor-type tyrosine-protein kinase FLT3(Human)
Technische Universit£T Darmstadt

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataKd:  6.5nMAssay Description:Binding affinity to non-auto-inhibited form of wild type human N-terminal GST-tagged FLT3 expressed in baculovirus expressionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataKi:  7.70nMAssay Description:Binding affinity to PLK4 (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataKi:  7.70nMAssay Description:Inhibition of PLK4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataKi:  7.70nMAssay Description:Inhibition of PLK4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataKi:  11nMAssay Description:Inhibition of PLK4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2016
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataIC50: 13nMAssay Description:Inhibition of Aurora A phosphorylation at Thr288 residue in human HeLa cells after 12 hrs by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetReceptor-type tyrosine-protein kinase FLT3(Human)
Technische Universit£T Darmstadt

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataKd:  14nMAssay Description:Binding affinity to human FLT3 D835H mutant expressed in baculovirus expression systemMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetAurora kinase B(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataIC50: 15nMAssay Description:Inhibition of AuroraB (unknown origin) by Kinase-Glo luminescent kinase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetAurora kinase B(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataIC50: 15nMAssay Description:Inhibition of Aurora B (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetAurora kinase B(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataIC50: 15nMAssay Description:Inhibition of aurora B (unknown origin) using Kemptide as substrate after 60 mins by ADP-Glo luminescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetAurora kinase B(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataIC50: 15nMAssay Description:Inhibition of Aurora B (unknown origin) after 1 hr in presence of ATP by Kinase-Glo reagent-based luminescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetAurora kinase B(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataIC50: 16nMAssay Description:Inhibition of Aurora kinase B (unknown origin) incubated for 30 mins by Kinase Glo luminescent assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetAurora kinase B(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataIC50: 18nMAssay Description:Inhibition of aurora B (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/2/2016
Entry Details Article
PubMed
TargetAurora kinase B(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataIC50: 18nMAssay Description:Inhibition of recombinant human N-terminal His6-tagged Aurora B expressed in baculovirus expression system by enzyme coupled assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetAurora kinase B(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataKi:  18nMAssay Description:Inhibition of N-terminal His-6-tagged recombinant Aurora 2 (1 to 403) (unknown origin) expressed in baculovirus expression system by radiometric assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2015
Entry Details Article
PubMed
TargetAurora kinase B(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataIC50: 18nMAssay Description:Inhibition of recombinant aurora B (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetAurora kinase B(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50004205(MK-0457 | MK-045 | VX-680 | VX-68 | TOZASERTIB | U...)
Affinity DataKi:  18nMAssay Description:Inhibition of recombinant N-terminal His6-tagged Aurora B (62 to 344 residues) (unknown origin) expressed in baculovirus expression systemMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2018
Entry Details Article
PubMed
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