BDBM50277545 4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[c]pyrimido[4,5-e]azepin-2-ylamino)-2-methoxybenzoic acid::Alisertib::CHEMBL483158::MLN8237::US10092556, Example MLN8237::US9346787, MLN8237

SMILES COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O

InChI Key InChIKey=ZLHFILGSQDJULK-UHFFFAOYSA-N

Data  3 KI  32 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 34 hits for monomerid = 50277545   

TargetAurora kinase A(Human)
Nirma University

Curated by ChEMBL
LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataIC50: 1.20nMAssay Description:Inhibition of Aurora A kinase (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAurora kinase B(Human)
University of Berne

Curated by ChEMBL
LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataIC50: 1.5nMAssay Description:Inhibition of Aurora B kinase in human HeLa Kyoto cells assessed as effect on distribution of phspho-histone H3 ser10 level incubated for 20 hrsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAurora kinase B/Inner centromere protein(Human)
University of Berne

Curated by ChEMBL
LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataIC50: 1.10nMAssay Description:Inhibition of Aurora-B/INCENP (unknown origin) using biotinylated STK2 substrate incubated for 30 mins by HTRF assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAurora kinase A(Human)
Nirma University

Curated by ChEMBL
LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataIC50: 1nMAssay Description:Inhibition of aurora A (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAurora kinase A(Human)
Nirma University

Curated by ChEMBL
LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataIC50: 1nMAssay Description:Inhibition of aurora A kinaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTyrosine-protein kinase Lck(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataIC50: 320nMAssay Description:Inhibition of LckMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAurora kinase B(Human)
University of Berne

Curated by ChEMBL
LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of aurora B kinaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAurora kinase A(Human)
Nirma University

Curated by ChEMBL
LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataIC50: 0.600nMpH: 7.4 T: 2°CAssay Description:For in vitro method for measuring the inhibitory activity of the aforementioned compounds on the aurora A kinase activity was carried out referring t...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetAurora kinase B(Human)
University of Berne

Curated by ChEMBL
LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataIC50: 90nMpH: 7.4Assay Description:The in vitro method for measuring the inhibitory activity of the test compound on the aurora B kinase activity was performed in a similar manner as t...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetAurora kinase A(Human)
Nirma University

Curated by ChEMBL
LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataIC50: 6.70nMAssay Description:Inhibition of Aurora A kinase autophosphorylation at Thr288 in human HeLa Kyoto cells incubated for 20 hrsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAurora kinase B(Human)
University of Berne

Curated by ChEMBL
LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataIC50: 397nMAssay Description:Inhibition of recombinant aurora B (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAurora kinase A(Human)
Nirma University

Curated by ChEMBL
LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataIC50: 1.20nMAssay Description:Inhibition of Aurora A (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAurora kinase A(Human)
Nirma University

Curated by ChEMBL
LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataIC50: 1.20nMAssay Description:Inhibition of recombinant Aurora A (unknown origin) by radioactive flashplate assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAurora kinase A(Human)
Nirma University

Curated by ChEMBL
LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataIC50: 1.20nMAssay Description:Inhibition of Aurora A (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAurora kinase A(Human)
Nirma University

Curated by ChEMBL
LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataIC50: 13nMAssay Description:Inhibition of recombinant GST-tagged N-terminal truncated human Aurora A (123 to 401 residues) expressed in Sf9 insect cell using tetra-LRRASLG pepti...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAurora kinase A(Human)
Nirma University

Curated by ChEMBL
LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataIC50: 1.20nMAssay Description:Inhibition of AURA (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetAurora kinase B(Human)
University of Berne

Curated by ChEMBL
LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataIC50: 396nMAssay Description:Inhibition of AURB (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetAurora kinase A(Human)
Nirma University

Curated by ChEMBL
LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataIC50: 0.0400nMAssay Description:Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAurora kinase A(Human)
Nirma University

Curated by ChEMBL
LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataIC50: 0.690nMT: 2°CAssay Description:Threefold dilution series of inhibitors in assay buffer were prepared in wells of a microtiter plate (final concentration stating from 2uM). Subseque...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetEphrin type-A receptor 2 [596-900](Human)
Technical University of Munich

LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataKd:  187nMAssay Description:Kinobeads competition assays were performed in 96-well format as previously described using mixed protein lysates of four cancer cell lines (K-562, M...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetEphrin type-A receptor 2 [596-900](Human)
Technical University of Munich

LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataIC50: 48nMAssay Description:Refer to Reaction Biology Corps.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAurora kinase A(Human)
Nirma University

Curated by ChEMBL
LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataIC50: 0.600nMpH: 7.4 T: 2°CAssay Description:For in vitro method for measuring the inhibitory activity of the aforementioned compounds on the aurora A kinase activity was carried out referring t...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetAurora kinase B(Human)
University of Berne

Curated by ChEMBL
LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataIC50: 90nMpH: 7.4Assay Description:The in vitro method for measuring the inhibitory activity of the test compound on the aurora B kinase activity was performed in a similar manner as t...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetAurora kinase B(Human)
University of Berne

Curated by ChEMBL
LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataIC50: 200nMAssay Description:Inhibition of aurora B (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAurora kinase A(Human)
Nirma University

Curated by ChEMBL
LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataIC50: 1nMAssay Description:Inhibition of aurora A (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAurora kinase B(Human)
University of Berne

Curated by ChEMBL
LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of aurora kinase B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAurora kinase A(Human)
Nirma University

Curated by ChEMBL
LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataIC50: 7nMAssay Description:Inhibition of aurora kinase A autophosphorylation at T288 in human HCT116 cells by immunofluorescence analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAurora kinase A(Mouse)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataIC50: 1nMAssay Description:Inhibition of recombinant mouse aurora kinase A expressed in insect Sf9 cells using biotin-GLRRASLG as substrate in presence of [gamma-33P]ATPMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataIC50: 490nMAssay Description:Binding affinity to GABAA alpha-1 benzodiazepine binding site (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAurora kinase A(Human)
Nirma University

Curated by ChEMBL
LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataIC50: 100nMAssay Description:Inhibition of AURKA (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAurora kinase A(Human)
Nirma University

Curated by ChEMBL
LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataIC50: 3.5nMT: 2°CAssay Description:Inhibition of Aurora A was assessed in duplicated radiometric assay containing 100uM [gamma-32P] ATP and quantified by p81 phosphocellulose assay.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAurora kinase A(Human)
Nirma University

Curated by ChEMBL
LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataKi:  0.136nM ΔG°:  -13.7kcal/mole IC50: 34.2nMT: 2°CAssay Description:Threefold dilution series of inhibitors in assay buffer were prepared in wells of a microtiter plate (final concentration stating from 2uM), and TAMR...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAurora kinase A(Mouse)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataKi:  0.300nMAssay Description:Competitive inhibition of recombinant mouse aurora kinase A expressed in insect Sf9 cells in presence of ATPMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50277545(Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...)
Affinity DataKi:  1.86nM ΔG°:  -12.1kcal/mole IC50: 1.78E+3nMT: 2°CAssay Description:Threefold dilution series of inhibitors in assay buffer were prepared in wells of a microtiter plate (final concentration stating from 2uM), and TAMR...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed