BDBM225324 CS261

SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)C(=O)NCCc2c[nH]cn2)cc1

InChI Key InChIKey=CQSUILWVYSOEJC-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
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 = 225324   

TargetCyclin-dependent kinase 2(Human)
D3R/Abbott

LigandPNGBDBM225324(CS261)
Affinity DataKd:  82.2nMAssay Description:OctetRed_Method2More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails D3R
PDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 2(Human)
D3R/Abbott

LigandPNGBDBM225324(CS261)
Affinity DataKoff:  6.90E+4s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails D3R
PDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 2(Human)
D3R/Abbott

LigandPNGBDBM225324(CS261)
Affinity DataKon:  0.0100M-1s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails D3R
PDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 2(Human)
D3R/Abbott

LigandPNGBDBM225324(CS261)
Affinity DataKd:  251nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails D3R
PDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 2(Human)
D3R/Abbott

LigandPNGBDBM225324(CS261)
Affinity DataKoff:  3.97E+4s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails D3R
PDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 2(Human)
D3R/Abbott

LigandPNGBDBM225324(CS261)
Affinity DataKon:  0.00500M-1s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails D3R
PDB3D3D Structure (crystal)

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 225324   

CellCyclin-dependent kinase 2(Human)
D3R/Abbott

SyringePNGBDBM225324(CS261)
ITC DataΔG°: -9.65kcal/mole −TΔS°: -5.34kcal/mole ΔH°: -4.30kcal/mole logk: 1.21E+7
T: 24.85°C 
Syringe InfoPC cidPC sidPDB
In DepthDetails D3R
PDB3D3D Structure (crystal)