BDBM225314 CS9

SMILES FC(F)(F)Oc1ccc(CC(=O)Nc2cc([nH]n2)C2CC2)cc1

InChI Key InChIKey=YFXWYMXXKFMSOB-UHFFFAOYSA-N

Data  2 Kd  2 Koff  2 Kon  2 ITC

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 = 225314   

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

LigandPNGBDBM225314(CS9)
Show SMILES FC(F)(F)Oc1ccc(CC(=O)Nc2cc([nH]n2)C2CC2)cc1
Show InChI InChI=1S/C15H14F3N3O2/c16-15(17,18)23-11-5-1-9(2-6-11)7-14(22)19-13-8-12(20-21-13)10-3-4-10/h1-2,5-6,8,10H,3-4,7H2,(H2,19,20,21,22)
Affinity DataKd:  463nMAssay Description:OctetRed_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225314(CS9)
Show SMILES FC(F)(F)Oc1ccc(CC(=O)Nc2cc([nH]n2)C2CC2)cc1
Show InChI InChI=1S/C15H14F3N3O2/c16-15(17,18)23-11-5-1-9(2-6-11)7-14(22)19-13-8-12(20-21-13)10-3-4-10/h1-2,5-6,8,10H,3-4,7H2,(H2,19,20,21,22)
Affinity DataKoff:  6.02E+4s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225314(CS9)
Show SMILES FC(F)(F)Oc1ccc(CC(=O)Nc2cc([nH]n2)C2CC2)cc1
Show InChI InChI=1S/C15H14F3N3O2/c16-15(17,18)23-11-5-1-9(2-6-11)7-14(22)19-13-8-12(20-21-13)10-3-4-10/h1-2,5-6,8,10H,3-4,7H2,(H2,19,20,21,22)
Affinity DataKon:  0.258M-1s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225314(CS9)
Show SMILES FC(F)(F)Oc1ccc(CC(=O)Nc2cc([nH]n2)C2CC2)cc1
Show InChI InChI=1S/C15H14F3N3O2/c16-15(17,18)23-11-5-1-9(2-6-11)7-14(22)19-13-8-12(20-21-13)10-3-4-10/h1-2,5-6,8,10H,3-4,7H2,(H2,19,20,21,22)
Affinity DataKd:  5.83E+4nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225314(CS9)
Show SMILES FC(F)(F)Oc1ccc(CC(=O)Nc2cc([nH]n2)C2CC2)cc1
Show InChI InChI=1S/C15H14F3N3O2/c16-15(17,18)23-11-5-1-9(2-6-11)7-14(22)19-13-8-12(20-21-13)10-3-4-10/h1-2,5-6,8,10H,3-4,7H2,(H2,19,20,21,22)
Affinity DataKoff:  2.35E+4s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225314(CS9)
Show SMILES FC(F)(F)Oc1ccc(CC(=O)Nc2cc([nH]n2)C2CC2)cc1
Show InChI InChI=1S/C15H14F3N3O2/c16-15(17,18)23-11-5-1-9(2-6-11)7-14(22)19-13-8-12(20-21-13)10-3-4-10/h1-2,5-6,8,10H,3-4,7H2,(H2,19,20,21,22)
Affinity DataKon:  0.0210M-1s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
In DepthDetails PubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 225314   

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

SyringePNGBDBM225314(CS9)
ITC DataΔG°: -7.26kcal/mole −TΔS°: -4.92kcal/mole ΔH°: -2.34kcal/mole logk: 2.13E+5
T: 24.85°C 
In DepthDetails PubMed
CellCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

SyringePNGBDBM225314(CS9)
ITC DataΔG°: -7.43kcal/mole −TΔS°: 5.27kcal/mole ΔH°: -12.7kcal/mole logk: 2.85E+5
T: 24.85°C 
In DepthDetails PubMed