BDBM91736 CS11

SMILES O=C(Cc1ccc(OCC[NH+]2CCCC2)cc1)Nc1cc(n[nH]1)C1CC1

InChI Key InChIKey=RBPFQBARVLHLER-UHFFFAOYSA-O

Data  7 Kd  2 Koff  2 Kon  2 ITC

  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 11 hits for monomerid = 91736   

TargetCyclin-dependent kinase 2(Human)
Csar

LigandPNGBDBM91736(CS11)
Affinity DataKd:  1.41E+3nMpH: 7.5 T: 25°CAssay Description:ITCMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Human)
Csar

LigandPNGBDBM91736(CS11)
Affinity DataKd:  1.42E+3nMpH: 7.5 T: 25°CAssay Description:ThermofluorMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Human)
Csar

LigandPNGBDBM91736(CS11)
Affinity DataKd:  280nMpH: 7.5 T: 25°CAssay Description:OctetRedMore data for this Ligand-Target Pair
In DepthDetails PubMed
LigandPNGBDBM91736(CS11)
Affinity DataKd:  171nMpH: 7.5 T: 25°CAssay Description:ITCMore data for this Ligand-Target Pair
In DepthDetails PubMed
LigandPNGBDBM91736(CS11)
Affinity DataKd:  44nMpH: 7.5 T: 25°CAssay Description:OctetRedMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Human)
Csar

LigandPNGBDBM91736(CS11)
Affinity DataKon:  0.0840M-1s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
In DepthDetails D3R

TargetCyclin-dependent kinase 2(Human)
Csar

LigandPNGBDBM91736(CS11)
Affinity DataKoff:  3.25E+5s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
In DepthDetails D3R

TargetCyclin-dependent kinase 2(Human)
Csar

LigandPNGBDBM91736(CS11)
Affinity DataKon:  0.0100M-1s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
In DepthDetails D3R

TargetCyclin-dependent kinase 2(Human)
Csar

LigandPNGBDBM91736(CS11)
Affinity DataKd:  280nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
In DepthDetails D3R

TargetCyclin-dependent kinase 2(Human)
Csar

LigandPNGBDBM91736(CS11)
Affinity DataKoff:  2.81E+5s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
In DepthDetails D3R

TargetCyclin-dependent kinase 2(Human)
Csar

LigandPNGBDBM91736(CS11)
Affinity DataKd:  43.7nMAssay Description:OctetRed_Method2More data for this Ligand-Target Pair
In DepthDetails D3R

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 91736   

CellCyclin-dependent kinase 2(Human)
D3R/Abbott

SyringePNGBDBM91736(CS11)
ITC DataΔG°: -9.24kcal/mole −TΔS°: -0.178kcal/mole ΔH°: -9.08kcal/mole logk: 6.05E+6
T: 24.85°C 
In DepthDetails D3R

CellCyclin-dependent kinase 2(Human)
D3R/Abbott

SyringePNGBDBM91736(CS11)
ITC DataΔG°: -7.98kcal/mole −TΔS°: 3.76kcal/mole ΔH°: -11.7kcal/mole logk: 7.16E+5
T: 24.85°C 
In DepthDetails D3R