BDBM225317 CS242

SMILES c1cc(ccc1N/N=C\2/c3c(ccc4c3nn[nH]4)NC2=O)S(=O)(=O)N

InChI Key InChIKey=AQAPFJBZSZVEGI-UHFFFAOYSA-N

Data  2 Kd  2 Koff  2 Kon  1 ITC

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 225317   

TargetCyclin-dependent kinase 2(Human)
D3R/Abbott

LigandPNGBDBM225317(CS242)
Affinity DataKd:  191nMAssay Description:OctetRed_Method2More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/10/2017
Entry Details
D3R
PDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 2(Human)
D3R/Abbott

LigandPNGBDBM225317(CS242)
Affinity DataKoff:  3.52E+4s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/10/2017
Entry Details
D3R
PDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 2(Human)
D3R/Abbott

LigandPNGBDBM225317(CS242)
Affinity DataKon:  0.00500M-1s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/10/2017
Entry Details
D3R
PDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 2(Human)
D3R/Abbott

LigandPNGBDBM225317(CS242)
Affinity DataKd:  528nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/10/2017
Entry Details
D3R
PDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 2(Human)
D3R/Abbott

LigandPNGBDBM225317(CS242)
Affinity DataKoff:  3.21E+4s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/10/2017
Entry Details
D3R
PDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 2(Human)
D3R/Abbott

LigandPNGBDBM225317(CS242)
Affinity DataKon:  0.0173M-1s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/10/2017
Entry Details
D3R
PDB3D3D Structure (crystal)

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 225317   

CellCyclin-dependent kinase 2(Human)
D3R/Abbott

SyringePNGBDBM225317(CS242)
ITC DataΔG°: -8.56kcal/mole −TΔS°: -1.99kcal/mole ΔH°: -6.57kcal/mole logk: 1.92E+6
T: 24.85°C 
In DepthDetails
D3R
PDB3D3D Structure (crystal)