BDBM225323 CS260

SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)C(O)=O)cc1

InChI Key InChIKey=JHTDQQNFBRWRSP-UHFFFAOYSA-N

Data  2 Kd  2 Koff  2 Kon  3 ITC

PDB links: 2 PDB IDs match this monomer.

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(Homo sapiens (Human))
D3R

LigandPNGBDBM225323(CS260)
Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)C(O)=O)cc1
Show InChI InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20)
Affinity DataKd:  8.43nMAssay Description:OctetRed_Method2More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225323(CS260)
Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)C(O)=O)cc1
Show InChI InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20)
Affinity DataKoff:  9.39E+5s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225323(CS260)
Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)C(O)=O)cc1
Show InChI InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20)
Affinity DataKon:  0.0133M-1s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225323(CS260)
Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)C(O)=O)cc1
Show InChI InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20)
Affinity DataKd:  98.6nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225323(CS260)
Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)C(O)=O)cc1
Show InChI InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20)
Affinity DataKoff:  1.32E+5s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225323(CS260)
Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)C(O)=O)cc1
Show InChI InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20)
Affinity DataKon:  0.00600M-1s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB

Activity Spreadsheet -- ITC Data from BindingDB

Found 3 hits for monomerid = 225323   

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

SyringePNGBDBM225323(CS260)
ITC DataΔG°: -8.86kcal/mole −TΔS°: 0.320kcal/mole ΔH°: -9.17kcal/mole logk: 3.19E+6
T: 24.85°C 
Syringe InfoPC cidPC sidPDB
CellCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

SyringePNGBDBM225323(CS260)
ITC DataΔG°: -9.31kcal/mole −TΔS°: 1.50kcal/mole ΔH°: -10.7kcal/mole logk: 6.86E+6
T: 24.85°C 
Syringe InfoPC cidPC sidPDB
CellCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

SyringePNGBDBM225323(CS260)
ITC DataΔG°: -8.05kcal/mole −TΔS°: -4.65kcal/mole ΔH°: -3.39kcal/mole logk: 8.08E+5
T: 24.85°C 
Syringe InfoPC cidPC sidPDB