BDBM91761 CS19

SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1[N+]([O-])=O

InChI Key InChIKey=MYHBMTAGTIOCHM-UHFFFAOYSA-N

Data  5 Kd  2 Koff  2 Kon

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 9 hits for monomerid = 91761   

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

LigandPNGBDBM91761(CS19)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1[N+]([O-])=O
Show InChI InChI=1S/C17H18N6O2S/c1-10-16(26-11(2)19-10)13-7-8-18-17(21-13)20-12-5-6-14(22(3)4)15(9-12)23(24)25/h5-9H,1-4H3,(H,18,20,21)
Affinity DataKd:  229nMpH: 7.5 T: 2°CAssay Description:OctetRedMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
CSAR

LigandPNGBDBM91761(CS19)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1[N+]([O-])=O
Show InChI InChI=1S/C17H18N6O2S/c1-10-16(26-11(2)19-10)13-7-8-18-17(21-13)20-12-5-6-14(22(3)4)15(9-12)23(24)25/h5-9H,1-4H3,(H,18,20,21)
Affinity DataKd:  5.80E+3nMpH: 7.5 T: 2°CAssay Description:ThermofluorMore data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
CSAR

LigandPNGBDBM91761(CS19)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1[N+]([O-])=O
Show InChI InChI=1S/C17H18N6O2S/c1-10-16(26-11(2)19-10)13-7-8-18-17(21-13)20-12-5-6-14(22(3)4)15(9-12)23(24)25/h5-9H,1-4H3,(H,18,20,21)
Affinity DataKd:  62nMpH: 7.5 T: 2°CAssay Description:OctetRedMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
CSAR

LigandPNGBDBM91761(CS19)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1[N+]([O-])=O
Show InChI InChI=1S/C17H18N6O2S/c1-10-16(26-11(2)19-10)13-7-8-18-17(21-13)20-12-5-6-14(22(3)4)15(9-12)23(24)25/h5-9H,1-4H3,(H,18,20,21)
Affinity DataKd:  61.7nMAssay Description:OctetRed_Method2More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
CSAR

LigandPNGBDBM91761(CS19)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1[N+]([O-])=O
Show InChI InChI=1S/C17H18N6O2S/c1-10-16(26-11(2)19-10)13-7-8-18-17(21-13)20-12-5-6-14(22(3)4)15(9-12)23(24)25/h5-9H,1-4H3,(H,18,20,21)
Affinity DataKon:  0.0201M-1s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
CSAR

LigandPNGBDBM91761(CS19)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1[N+]([O-])=O
Show InChI InChI=1S/C17H18N6O2S/c1-10-16(26-11(2)19-10)13-7-8-18-17(21-13)20-12-5-6-14(22(3)4)15(9-12)23(24)25/h5-9H,1-4H3,(H,18,20,21)
Affinity DataKon:  0.00700M-1s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
CSAR

LigandPNGBDBM91761(CS19)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1[N+]([O-])=O
Show InChI InChI=1S/C17H18N6O2S/c1-10-16(26-11(2)19-10)13-7-8-18-17(21-13)20-12-5-6-14(22(3)4)15(9-12)23(24)25/h5-9H,1-4H3,(H,18,20,21)
Affinity DataKd:  229nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
CSAR

LigandPNGBDBM91761(CS19)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1[N+]([O-])=O
Show InChI InChI=1S/C17H18N6O2S/c1-10-16(26-11(2)19-10)13-7-8-18-17(21-13)20-12-5-6-14(22(3)4)15(9-12)23(24)25/h5-9H,1-4H3,(H,18,20,21)
Affinity DataKoff:  1.75E+5s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
CSAR

LigandPNGBDBM91761(CS19)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1[N+]([O-])=O
Show InChI InChI=1S/C17H18N6O2S/c1-10-16(26-11(2)19-10)13-7-8-18-17(21-13)20-12-5-6-14(22(3)4)15(9-12)23(24)25/h5-9H,1-4H3,(H,18,20,21)
Affinity DataKoff:  1.37E+5s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair