BDBM225319 CS245

SMILES O=C1Nc2ccc3ncsc3c2\C1=C\Nc1ccc2CS(=O)(=O)Cc2c1

InChI Key InChIKey=DOXLZSAKRJWFJV-MLPAPPSSSA-N

Data  2 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 6 hits for monomerid = 225319   

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

LigandPNGBDBM225319(CS245)
Show SMILES O=C1Nc2ccc3ncsc3c2\C1=C\Nc1ccc2CS(=O)(=O)Cc2c1
Show InChI InChI=1S/C18H13N3O3S2/c22-18-13(16-14(21-18)3-4-15-17(16)25-9-20-15)6-19-12-2-1-10-7-26(23,24)8-11(10)5-12/h1-6,9,19H,7-8H2,(H,21,22)/b13-6-
Affinity DataKd:  35.8nMAssay Description:OctetRed_Method2More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225319(CS245)
Show SMILES O=C1Nc2ccc3ncsc3c2\C1=C\Nc1ccc2CS(=O)(=O)Cc2c1
Show InChI InChI=1S/C18H13N3O3S2/c22-18-13(16-14(21-18)3-4-15-17(16)25-9-20-15)6-19-12-2-1-10-7-26(23,24)8-11(10)5-12/h1-6,9,19H,7-8H2,(H,21,22)/b13-6-
Affinity DataKoff:  2.06E+5s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225319(CS245)
Show SMILES O=C1Nc2ccc3ncsc3c2\C1=C\Nc1ccc2CS(=O)(=O)Cc2c1
Show InChI InChI=1S/C18H13N3O3S2/c22-18-13(16-14(21-18)3-4-15-17(16)25-9-20-15)6-19-12-2-1-10-7-26(23,24)8-11(10)5-12/h1-6,9,19H,7-8H2,(H,21,22)/b13-6-
Affinity DataKon:  0.00820M-1s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225319(CS245)
Show SMILES O=C1Nc2ccc3ncsc3c2\C1=C\Nc1ccc2CS(=O)(=O)Cc2c1
Show InChI InChI=1S/C18H13N3O3S2/c22-18-13(16-14(21-18)3-4-15-17(16)25-9-20-15)6-19-12-2-1-10-7-26(23,24)8-11(10)5-12/h1-6,9,19H,7-8H2,(H,21,22)/b13-6-
Affinity DataKd:  229nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225319(CS245)
Show SMILES O=C1Nc2ccc3ncsc3c2\C1=C\Nc1ccc2CS(=O)(=O)Cc2c1
Show InChI InChI=1S/C18H13N3O3S2/c22-18-13(16-14(21-18)3-4-15-17(16)25-9-20-15)6-19-12-2-1-10-7-26(23,24)8-11(10)5-12/h1-6,9,19H,7-8H2,(H,21,22)/b13-6-
Affinity DataKoff:  9.72E+4s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225319(CS245)
Show SMILES O=C1Nc2ccc3ncsc3c2\C1=C\Nc1ccc2CS(=O)(=O)Cc2c1
Show InChI InChI=1S/C18H13N3O3S2/c22-18-13(16-14(21-18)3-4-15-17(16)25-9-20-15)6-19-12-2-1-10-7-26(23,24)8-11(10)5-12/h1-6,9,19H,7-8H2,(H,21,22)/b13-6-
Affinity DataKon:  0.00500M-1s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB