BDBM225317 CS242

SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc4[nH]nnc4c23)cc1

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
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 = 225317   

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

LigandPNGBDBM225317(CS242)
Affinity DataKd:  191nMAssay Description:OctetRed_Method2More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R/Abbott

LigandPNGBDBM225317(CS242)
Affinity DataKoff:  3.52E+4s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R/Abbott

LigandPNGBDBM225317(CS242)
Affinity DataKon:  0.0173M-1s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R/Abbott

LigandPNGBDBM225317(CS242)
Affinity DataKd:  528nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R/Abbott

LigandPNGBDBM225317(CS242)
Affinity DataKoff:  3.21E+4s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R/Abbott

LigandPNGBDBM225317(CS242)
Affinity DataKon:  0.00500M-1s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 225317   

CellCyclin-dependent kinase 2(Homo sapiens (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 
Syringe InfoPC cidPC sidPDB