Compile Data Set for Download or QSAR
Found 7 Enz. Inhib. hit(s) with all data for entry = 50039161
TargetPoly [ADP-ribose] polymerase tankyrase-2(Homo sapiens (Human))
Karolinska Institutet

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
Affinity DataIC50: 4nMAssay Description:Inhibition of TNKS2More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase tankyrase-1(Homo sapiens (Human))
Karolinska Institutet

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
Affinity DataIC50: 11nMAssay Description:Inhibition of TNKS1More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase tankyrase-2(Homo sapiens (Human))
Karolinska Institutet

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
Affinity DataKd:  14nMAssay Description:Binding affinity to full-length human recombinant TNSK2 expressed in Escherichia coli by isothermal titration calorimetryMore data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase tankyrase-1(Homo sapiens (Human))
Karolinska Institutet

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
Affinity DataKd:  8nMAssay Description:Binding affinity to human recombinant TNSK1 expressed in Escherichia coli by isothermal titration calorimetryMore data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Karolinska Institutet

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
Affinity DataKd:  620nMAssay Description:Binding affinity to PARP1 by isothermal titration calorimetryMore data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase tankyrase-2(Homo sapiens (Human))
Karolinska Institutet

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
Affinity DataKd:  10nMAssay Description:Binding affinity to TNKS2More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase tankyrase-1(Homo sapiens (Human))
Karolinska Institutet

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
Affinity DataKd:  100nMAssay Description:Binding affinity to TNKS1More data for this Ligand-Target Pair