BDBM209858 Danusertib::N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide

SMILES CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)[C@@H](c5ccccc5)OC

InChI Key InChIKey=XKFTZKGMDDZMJI-UHFFFAOYSA-N

Data  7 IC50  1 Kd

PDB links: 6 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 209858   

TargetEphrin type-A receptor 2 [596-900](Human)
Technical University of Munich

LigandPNGBDBM209858(Danusertib | N-[5-[(2R)-2-methoxy-2-phenylacetyl]-...)
Affinity DataKd:  9nMAssay 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 Depth
Date in BDB:
1/23/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEphrin type-A receptor 2 [596-900](Human)
Technical University of Munich

LigandPNGBDBM209858(Danusertib | N-[5-[(2R)-2-methoxy-2-phenylacetyl]-...)
Affinity DataIC50: 4.40nMAssay Description:Refer to Reaction Biology Corps.More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/23/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAurora kinase A(Human)
Mcgill University

Curated by ChEMBL
LigandPNGBDBM209858(Danusertib | N-[5-[(2R)-2-methoxy-2-phenylacetyl]-...)
Affinity DataIC50: 13nMAssay Description:Inhibition of AURA (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetAurora kinase B(Human)
Mcgill University

Curated by ChEMBL
LigandPNGBDBM209858(Danusertib | N-[5-[(2R)-2-methoxy-2-phenylacetyl]-...)
Affinity DataIC50: 79nMAssay Description:Inhibition of AURB (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetAurora kinase C(Human)
Mcgill University

Curated by ChEMBL
LigandPNGBDBM209858(Danusertib | N-[5-[(2R)-2-methoxy-2-phenylacetyl]-...)
Affinity DataIC50: 61nMAssay 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)
Mcgill University

Curated by ChEMBL
LigandPNGBDBM209858(Danusertib | N-[5-[(2R)-2-methoxy-2-phenylacetyl]-...)
Affinity DataIC50: 61nMAssay Description:Inhibition of aurora C (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetAurora kinase B(Human)
Mcgill University

Curated by ChEMBL
LigandPNGBDBM209858(Danusertib | N-[5-[(2R)-2-methoxy-2-phenylacetyl]-...)
Affinity DataIC50: 79nMAssay Description:Inhibition of aurora B (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetAurora kinase A(Human)
Mcgill University

Curated by ChEMBL
LigandPNGBDBM209858(Danusertib | N-[5-[(2R)-2-methoxy-2-phenylacetyl]-...)
Affinity DataIC50: 13nMAssay Description:Inhibition of aurora A (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMedPDB3D3D Structure (crystal)