BDBM91749 CS16

SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1

InChI Key InChIKey=DEIGLICSSNUYPO-UHFFFAOYSA-N

Data  2 KI  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 11 hits for monomerid = 91749   

TargetCyclin-dependent kinase 2(Homo sapiens (Human))
University of South Australia Cancer Research Institute

Curated by ChEMBL
LigandPNGBDBM91749(CS16)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C15H13N5O2S/c1-9-14(23-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(8-11)20(21)22/h3-8H,1-2H3,(H,16,18,19)
Affinity DataKi:  110nMAssay Description:Inhibition of CDK2 (unknown origin)More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
University of South Australia Cancer Research Institute

Curated by ChEMBL
LigandPNGBDBM91749(CS16)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C15H13N5O2S/c1-9-14(23-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(8-11)20(21)22/h3-8H,1-2H3,(H,16,18,19)
Affinity DataKi: >2.00E+4nMAssay Description:Inhibition of CDK4 (unknown origin)More data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
CSAR

LigandPNGBDBM91749(CS16)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C15H13N5O2S/c1-9-14(23-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(8-11)20(21)22/h3-8H,1-2H3,(H,16,18,19)
Affinity DataKd:  73nMpH: 7.5 T: 2°CAssay Description:OctetRedMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
University of South Australia Cancer Research Institute

Curated by ChEMBL
LigandPNGBDBM91749(CS16)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C15H13N5O2S/c1-9-14(23-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(8-11)20(21)22/h3-8H,1-2H3,(H,16,18,19)
Affinity DataKd:  72.7nMAssay Description:OctetRed_Method2More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
University of South Australia Cancer Research Institute

Curated by ChEMBL
LigandPNGBDBM91749(CS16)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C15H13N5O2S/c1-9-14(23-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(8-11)20(21)22/h3-8H,1-2H3,(H,16,18,19)
Affinity DataKoff:  2.24E+5s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
University of South Australia Cancer Research Institute

Curated by ChEMBL
LigandPNGBDBM91749(CS16)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C15H13N5O2S/c1-9-14(23-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(8-11)20(21)22/h3-8H,1-2H3,(H,16,18,19)
Affinity DataKd:  77.3nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
University of South Australia Cancer Research Institute

Curated by ChEMBL
LigandPNGBDBM91749(CS16)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C15H13N5O2S/c1-9-14(23-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(8-11)20(21)22/h3-8H,1-2H3,(H,16,18,19)
Affinity DataKoff:  2.94E+5s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
University of South Australia Cancer Research Institute

Curated by ChEMBL
LigandPNGBDBM91749(CS16)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C15H13N5O2S/c1-9-14(23-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(8-11)20(21)22/h3-8H,1-2H3,(H,16,18,19)
Affinity DataKon:  0.0169M-1s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
University of South Australia Cancer Research Institute

Curated by ChEMBL
LigandPNGBDBM91749(CS16)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C15H13N5O2S/c1-9-14(23-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(8-11)20(21)22/h3-8H,1-2H3,(H,16,18,19)
Affinity DataKd:  77nMpH: 7.5 T: 2°CAssay Description:OctetRedMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
University of South Australia Cancer Research Institute

Curated by ChEMBL
LigandPNGBDBM91749(CS16)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C15H13N5O2S/c1-9-14(23-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(8-11)20(21)22/h3-8H,1-2H3,(H,16,18,19)
Affinity DataKd:  4.38E+3nMpH: 7.5 T: 2°CAssay Description:ThermofluorMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
University of South Australia Cancer Research Institute

Curated by ChEMBL
LigandPNGBDBM91749(CS16)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C15H13N5O2S/c1-9-14(23-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(8-11)20(21)22/h3-8H,1-2H3,(H,16,18,19)
Affinity DataKon:  0.00900M-1s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair