BDBM50318071 1-Methyl-8-{[2-(phenylsulfanyl)phenyl]amino}-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide::CHEMBL1094822

SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4Sc4ccccc4)nc3-c12

InChI Key InChIKey=CAYPPMFQINCSKS-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50318071   

TargetSerine/threonine-protein kinase PLK1(Human)
Nerviano Medical Sciences

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50318071BDBM50318071(1-Methyl-8-{[2-(phenylsulfanyl)phenyl]amino}-4,5-d...)
Affinity DataIC50: 2.03E+3nMAssay Description:Inhibition of GST-tagged PLK1 expressed in H5 insect cells assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Nerviano Medical Sciences

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50318071BDBM50318071(1-Methyl-8-{[2-(phenylsulfanyl)phenyl]amino}-4,5-d...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of Aurora A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed
TargetCyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2(Human)
Nerviano Medical Sciences

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50318071BDBM50318071(1-Methyl-8-{[2-(phenylsulfanyl)phenyl]amino}-4,5-d...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed