BDBM225517 GTC000226A::GTC000226B

SMILES OCCCN(c1ccnc(Nc2ccc3CNS(=O)(=O)c3c2)n1)c1cccc2[nH]ncc12

InChI Key InChIKey=XIWBNOAYPAXNEG-UHFFFAOYSA-N

Data  8 IC50

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 8 hits for monomerid = 225517   

TargetSYK Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM225517(GTC000226A | GTC000226B)
Show SMILES OCCCN(c1ccnc(Nc2ccc3CNS(=O)(=O)c3c2)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C21H21N7O3S/c29-10-2-9-28(18-4-1-3-17-16(18)13-23-27-17)20-7-8-22-21(26-20)25-15-6-5-14-12-24-32(30,31)19(14)11-15/h1,3-8,11,13,24,29H,2,9-10,12H2,(H,23,27)(H,22,25,26)
Affinity DataIC50: 0.412nMAssay Description:SYK assay_HTRFMore data for this Ligand-Target Pair
Target InfoPDB
GoogleScholar
Ligand InfoPC cidPC sidPDB
TargetSYK Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM225517(GTC000226A | GTC000226B)
Show SMILES OCCCN(c1ccnc(Nc2ccc3CNS(=O)(=O)c3c2)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C21H21N7O3S/c29-10-2-9-28(18-4-1-3-17-16(18)13-23-27-17)20-7-8-22-21(26-20)25-15-6-5-14-12-24-32(30,31)19(14)11-15/h1,3-8,11,13,24,29H,2,9-10,12H2,(H,23,27)(H,22,25,26)
Affinity DataIC50: 0.746nMAssay Description:SYK assay_HTRFMore data for this Ligand-Target Pair
Target InfoPDB
GoogleScholar
Ligand InfoPC cidPC sidPDB
TargetSYK Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM225517(GTC000226A | GTC000226B)
Show SMILES OCCCN(c1ccnc(Nc2ccc3CNS(=O)(=O)c3c2)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C21H21N7O3S/c29-10-2-9-28(18-4-1-3-17-16(18)13-23-27-17)20-7-8-22-21(26-20)25-15-6-5-14-12-24-32(30,31)19(14)11-15/h1,3-8,11,13,24,29H,2,9-10,12H2,(H,23,27)(H,22,25,26)
Affinity DataIC50: 2.23nMAssay Description:SYK assay_HTRFMore data for this Ligand-Target Pair
Target InfoPDB
GoogleScholar
Ligand InfoPC cidPC sidPDB
TargetSYK Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM225517(GTC000226A | GTC000226B)
Show SMILES OCCCN(c1ccnc(Nc2ccc3CNS(=O)(=O)c3c2)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C21H21N7O3S/c29-10-2-9-28(18-4-1-3-17-16(18)13-23-27-17)20-7-8-22-21(26-20)25-15-6-5-14-12-24-32(30,31)19(14)11-15/h1,3-8,11,13,24,29H,2,9-10,12H2,(H,23,27)(H,22,25,26)
Affinity DataIC50: 3.44nMAssay Description:SYK assay_HTRFMore data for this Ligand-Target Pair
Target InfoPDB
GoogleScholar
Ligand InfoPC cidPC sidPDB
TargetSYK Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM225517(GTC000226A | GTC000226B)
Show SMILES OCCCN(c1ccnc(Nc2ccc3CNS(=O)(=O)c3c2)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C21H21N7O3S/c29-10-2-9-28(18-4-1-3-17-16(18)13-23-27-17)20-7-8-22-21(26-20)25-15-6-5-14-12-24-32(30,31)19(14)11-15/h1,3-8,11,13,24,29H,2,9-10,12H2,(H,23,27)(H,22,25,26)
Affinity DataIC50: 0.925nMAssay Description:SYK assay_HTRFMore data for this Ligand-Target Pair
Target InfoPDB
GoogleScholar
Ligand InfoPC cidPC sidPDB
TargetSYK Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM225517(GTC000226A | GTC000226B)
Show SMILES OCCCN(c1ccnc(Nc2ccc3CNS(=O)(=O)c3c2)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C21H21N7O3S/c29-10-2-9-28(18-4-1-3-17-16(18)13-23-27-17)20-7-8-22-21(26-20)25-15-6-5-14-12-24-32(30,31)19(14)11-15/h1,3-8,11,13,24,29H,2,9-10,12H2,(H,23,27)(H,22,25,26)
Affinity DataIC50: 2.21nMAssay Description:SYK assay_HTRFMore data for this Ligand-Target Pair
Target InfoPDB
GoogleScholar
Ligand InfoPC cidPC sidPDB
TargetSYK Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM225517(GTC000226A | GTC000226B)
Show SMILES OCCCN(c1ccnc(Nc2ccc3CNS(=O)(=O)c3c2)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C21H21N7O3S/c29-10-2-9-28(18-4-1-3-17-16(18)13-23-27-17)20-7-8-22-21(26-20)25-15-6-5-14-12-24-32(30,31)19(14)11-15/h1,3-8,11,13,24,29H,2,9-10,12H2,(H,23,27)(H,22,25,26)
Affinity DataIC50: 3.52nMAssay Description:SYK assay_HTRFMore data for this Ligand-Target Pair
Target InfoPDB
GoogleScholar
Ligand InfoPC cidPC sidPDB
TargetSYK Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM225517(GTC000226A | GTC000226B)
Show SMILES OCCCN(c1ccnc(Nc2ccc3CNS(=O)(=O)c3c2)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C21H21N7O3S/c29-10-2-9-28(18-4-1-3-17-16(18)13-23-27-17)20-7-8-22-21(26-20)25-15-6-5-14-12-24-32(30,31)19(14)11-15/h1,3-8,11,13,24,29H,2,9-10,12H2,(H,23,27)(H,22,25,26)
Affinity DataIC50: 3.35nMAssay Description:SYK assay_HTRFMore data for this Ligand-Target Pair
Target InfoPDB
GoogleScholar
Ligand InfoPC cidPC sidPDB