BDBM91754 CS17

SMILES Cc1nc(NCC=C)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1

InChI Key InChIKey=QHFPQUQWXGDVKK-UHFFFAOYSA-N

Data  3 Kd  1 Koff  1 Kon

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 5 hits for monomerid = 91754   

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

LigandPNGBDBM91754(CS17)
Show SMILES Cc1nc(NCC=C)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C17H16N6O2S/c1-3-8-19-17-20-11(2)15(26-17)14-7-9-18-16(22-14)21-12-5-4-6-13(10-12)23(24)25/h3-7,9-10H,1,8H2,2H3,(H,19,20)(H,18,21,22)
Affinity DataKd:  54nMpH: 7.5 T: 2°CAssay Description:OctetRedMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
CSAR

LigandPNGBDBM91754(CS17)
Show SMILES Cc1nc(NCC=C)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C17H16N6O2S/c1-3-8-19-17-20-11(2)15(26-17)14-7-9-18-16(22-14)21-12-5-4-6-13(10-12)23(24)25/h3-7,9-10H,1,8H2,2H3,(H,19,20)(H,18,21,22)
Affinity DataKd:  7.50E+3nMpH: 7.5 T: 2°CAssay Description:ThermofluorMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
CSAR

LigandPNGBDBM91754(CS17)
Show SMILES Cc1nc(NCC=C)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C17H16N6O2S/c1-3-8-19-17-20-11(2)15(26-17)14-7-9-18-16(22-14)21-12-5-4-6-13(10-12)23(24)25/h3-7,9-10H,1,8H2,2H3,(H,19,20)(H,18,21,22)
Affinity DataKon:  0.00340M-1s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
CSAR

LigandPNGBDBM91754(CS17)
Show SMILES Cc1nc(NCC=C)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C17H16N6O2S/c1-3-8-19-17-20-11(2)15(26-17)14-7-9-18-16(22-14)21-12-5-4-6-13(10-12)23(24)25/h3-7,9-10H,1,8H2,2H3,(H,19,20)(H,18,21,22)
Affinity DataKoff:  1.22E+5s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
CSAR

LigandPNGBDBM91754(CS17)
Show SMILES Cc1nc(NCC=C)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C17H16N6O2S/c1-3-8-19-17-20-11(2)15(26-17)14-7-9-18-16(22-14)21-12-5-4-6-13(10-12)23(24)25/h3-7,9-10H,1,8H2,2H3,(H,19,20)(H,18,21,22)
Affinity DataKd:  53.9nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
In DepthDetails PubMed