BDBM225323 CS260

SMILES c1cc(ccc1N/N=C\2/c3cc(ccc3NC2=O)C(=O)O)S(=O)(=O)N

InChI Key InChIKey=JHTDQQNFBRWRSP-UHFFFAOYSA-N

Data  2 Kd  2 Koff  2 Kon  3 ITC

PDB links: 2 PDB IDs match this monomer.

  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 6 hits for monomerid = 225323   

TargetCyclin-dependent kinase 2(Human)
D3R/Abbott

LigandPNGBDBM225323(CS260)
Affinity DataKd:  8.43nMAssay 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

LigandPNGBDBM225323(CS260)
Affinity DataKoff:  9.39E+5s-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

LigandPNGBDBM225323(CS260)
Affinity DataKon:  0.00600M-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

LigandPNGBDBM225323(CS260)
Affinity DataKd:  98.6nMAssay 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

LigandPNGBDBM225323(CS260)
Affinity DataKoff:  1.32E+5s-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

LigandPNGBDBM225323(CS260)
Affinity DataKon:  0.0133M-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 3 hits for monomerid = 225323   

CellCyclin-dependent kinase 2(Human)
D3R/Abbott

SyringePNGBDBM225323(CS260)
ITC DataΔG°: -8.86kcal/mole −TΔS°: 0.320kcal/mole ΔH°: -9.17kcal/mole logk: 3.19E+6
T: 24.85°C 
In DepthDetails
D3R
PDB3D3D Structure (crystal)
CellCyclin-dependent kinase 2(Human)
D3R/Abbott

SyringePNGBDBM225323(CS260)
ITC DataΔG°: -9.31kcal/mole −TΔS°: 1.50kcal/mole ΔH°: -10.7kcal/mole logk: 6.86E+6
T: 24.85°C 
In DepthDetails
D3R
PDB3D3D Structure (crystal)
CellCyclin-dependent kinase 2(Human)
D3R/Abbott

SyringePNGBDBM225323(CS260)
ITC DataΔG°: -8.05kcal/mole −TΔS°: -4.65kcal/mole ΔH°: -3.39kcal/mole logk: 8.08E+5
T: 24.85°C 
In DepthDetails
D3R
PDB3D3D Structure (crystal)