BDBM225310 CS1

SMILES Cc1cc(NC(=O)c2ccc(Br)cc2)n[nH]1

InChI Key InChIKey=PXLNCBTUYNESDD-UHFFFAOYSA-N

Data  2 Kd  2 Koff  2 Kon  2 ITC

PDB links: 1 PDB ID matches 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 = 225310   

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

LigandPNGBDBM225310(CS1)
Show SMILES Cc1cc(NC(=O)c2ccc(Br)cc2)n[nH]1
Show InChI InChI=1S/C11H10BrN3O/c1-7-6-10(15-14-7)13-11(16)8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,13,14,15,16)
Affinity DataKd:  4.09E+3nMAssay Description:OctetRed_Method2More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225310(CS1)
Show SMILES Cc1cc(NC(=O)c2ccc(Br)cc2)n[nH]1
Show InChI InChI=1S/C11H10BrN3O/c1-7-6-10(15-14-7)13-11(16)8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,13,14,15,16)
Affinity DataKoff:  2.26E+6s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225310(CS1)
Show SMILES Cc1cc(NC(=O)c2ccc(Br)cc2)n[nH]1
Show InChI InChI=1S/C11H10BrN3O/c1-7-6-10(15-14-7)13-11(16)8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,13,14,15,16)
Affinity DataKon:  1.09M-1s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225310(CS1)
Show SMILES Cc1cc(NC(=O)c2ccc(Br)cc2)n[nH]1
Show InChI InChI=1S/C11H10BrN3O/c1-7-6-10(15-14-7)13-11(16)8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,13,14,15,16)
Affinity DataKd:  3.32E+4nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225310(CS1)
Show SMILES Cc1cc(NC(=O)c2ccc(Br)cc2)n[nH]1
Show InChI InChI=1S/C11H10BrN3O/c1-7-6-10(15-14-7)13-11(16)8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,13,14,15,16)
Affinity DataKoff:  3.57E+4s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225310(CS1)
Show SMILES Cc1cc(NC(=O)c2ccc(Br)cc2)n[nH]1
Show InChI InChI=1S/C11H10BrN3O/c1-7-6-10(15-14-7)13-11(16)8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,13,14,15,16)
Affinity DataKon:  3.15M-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 = 225310   

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

SyringePNGBDBM225310(CS1)
ITC DataΔG°: -7.24kcal/mole −TΔS°: -14.6kcal/mole ΔH°: -3.73kcal/mole logk: 2.05E+5
T: 24.85°C 
Syringe InfoPC cidPC sidPDB
CellCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

SyringePNGBDBM225310(CS1)
ITC DataΔG°: -6.52kcal/mole −TΔS°: 1.00kcal/mole ΔH°: -7.52kcal/mole logk: 6.10E+4
T: 24.85°C 
Syringe InfoPC cidPC sidPDB