BDBM225324 CS261

SMILES c1cc(ccc1N/N=C\2/c3cc(ccc3NC2=O)C(=O)NCCc4c[nH]cn4)S(=O)(=O)N

InChI Key InChIKey=CQSUILWVYSOEJC-UHFFFAOYSA-N

Data  2 Kd  2 Koff  2 Kon  1 ITC

PDB links: 1 PDB ID matches this monomer.

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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 = 225324   

TargetCyclin-dependent kinase 2(Human)
D3R/Abbott

LigandPNGBDBM225324(CS261)
Affinity DataKd:  82.2nMAssay 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

LigandPNGBDBM225324(CS261)
Affinity DataKoff:  6.90E+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

LigandPNGBDBM225324(CS261)
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

LigandPNGBDBM225324(CS261)
Affinity DataKd:  251nMAssay 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

LigandPNGBDBM225324(CS261)
Affinity DataKoff:  3.97E+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

LigandPNGBDBM225324(CS261)
Affinity DataKon:  0.0100M-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 = 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 
In DepthDetails
D3R
PDB3D3D Structure (crystal)