BDBM225311 CS3

SMILES NC(=O)c1ccc(cc1)C(=O)Nc1cc([nH]n1)C1CC1

InChI Key InChIKey=HGEJNHUGVPFHIF-UHFFFAOYSA-N

Data  2 Kd  2 Koff  2 Kon  2 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 = 225311   

TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R/Abbott

LigandPNGBDBM225311(CS3)
Affinity DataKd:  362nMAssay Description:OctetRed_Method2More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R/Abbott

LigandPNGBDBM225311(CS3)
Affinity DataKoff:  1.83E+5s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R/Abbott

LigandPNGBDBM225311(CS3)
Affinity DataKon:  0.259M-1s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R/Abbott

LigandPNGBDBM225311(CS3)
Affinity DataKd:  808nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R/Abbott

LigandPNGBDBM225311(CS3)
Affinity DataKoff:  3.35E+5s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R/Abbott

LigandPNGBDBM225311(CS3)
Affinity DataKon:  0.0610M-1s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 225311   

CellCyclin-dependent kinase 2(Homo sapiens (Human))
D3R/Abbott

SyringePNGBDBM225311(CS3)
ITC DataΔG°: -8.74kcal/mole −TΔS°: 402kcal/mole ΔH°: -12.8kcal/mole logk: 2.60E+6
T: 24.85°C 
Syringe InfoPC cidPC sidPDB
CellCyclin-dependent kinase 2(Homo sapiens (Human))
D3R/Abbott

SyringePNGBDBM225311(CS3)
ITC DataΔG°: -8.30kcal/mole −TΔS°: 9.40kcal/mole ΔH°: -17.7kcal/mole logk: 1.24E+6
T: 24.85°C 
Syringe InfoPC cidPC sidPDB