Compile Data Set for Download or QSAR
Found 13 Enz. Inhib. hit(s) with all data for entry = 50006505
TargetTubulin beta chain(Sus scrofa)
University of Sheffield

Curated by ChEMBL
LigandPNGBDBM50500399(CHEMBL3746906)
Show SMILES COCC(C)n1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2ccccc12
Show InChI InChI=1S/C20H21N3O4/c1-13(12-26-2)23-11-16(15-6-4-5-7-17(15)23)19(24)20(25)22-14-8-9-18(27-3)21-10-14/h4-11,13H,12H2,1-3H3,(H,22,25)
Affinity DataIC50: 160nMAssay Description:Displacement of [3H]-colchicine from biotinylated porcine tubulin after 2 hrs by competitive binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTubulin beta chain(Sus scrofa)
University of Sheffield

Curated by ChEMBL
LigandPNGBDBM50500401(CHEMBL3746593)
Show SMILES COc1ccc(NC(=O)C(=O)c2cn(CC3CCCO3)c3ccccc23)cn1
Show InChI InChI=1S/C21H21N3O4/c1-27-19-9-8-14(11-22-19)23-21(26)20(25)17-13-24(12-15-5-4-10-28-15)18-7-3-2-6-16(17)18/h2-3,6-9,11,13,15H,4-5,10,12H2,1H3,(H,23,26)
Affinity DataIC50: 420nMAssay Description:Displacement of [3H]-colchicine from biotinylated porcine tubulin after 2 hrs by competitive binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTubulin beta chain(Sus scrofa)
University of Sheffield

Curated by ChEMBL
LigandPNGBDBM50500404(CHEMBL3747333)
Show SMILES COCCn1cc(C(=O)C(=O)Nc2ccc(OC(C)C)nc2)c2ccccc12
Show InChI InChI=1S/C21H23N3O4/c1-14(2)28-19-9-8-15(12-22-19)23-21(26)20(25)17-13-24(10-11-27-3)18-7-5-4-6-16(17)18/h4-9,12-14H,10-11H2,1-3H3,(H,23,26)
Affinity DataIC50: 500nMAssay Description:Displacement of [3H]-colchicine from biotinylated porcine tubulin after 2 hrs by competitive binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTubulin beta chain(Sus scrofa)
University of Sheffield

Curated by ChEMBL
LigandPNGBDBM50500403(CHEMBL3746996)
Show SMILES COCCn1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2cccnc12
Show InChI InChI=1S/C18H18N4O4/c1-25-9-8-22-11-14(13-4-3-7-19-17(13)22)16(23)18(24)21-12-5-6-15(26-2)20-10-12/h3-7,10-11H,8-9H2,1-2H3,(H,21,24)
Affinity DataIC50: 940nMAssay Description:Displacement of [3H]-colchicine from biotinylated porcine tubulin after 2 hrs by competitive binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTubulin beta chain(Sus scrofa)
University of Sheffield

Curated by ChEMBL
LigandPNGBDBM50500400(CHEMBL3747196)
Show SMILES COc1ccc(NC(=O)C(=O)c2cn(C(C)C)c3ccccc23)cn1
Show InChI InChI=1S/C19H19N3O3/c1-12(2)22-11-15(14-6-4-5-7-16(14)22)18(23)19(24)21-13-8-9-17(25-3)20-10-13/h4-12H,1-3H3,(H,21,24)
Affinity DataIC50: 1.60E+3nMAssay Description:Displacement of [3H]-colchicine from biotinylated porcine tubulin after 2 hrs by competitive binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTubulin beta chain(Sus scrofa)
University of Sheffield

Curated by ChEMBL
LigandPNGBDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC
Show InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of porcine brain tubulin polymerization assessed as reduction in GTP-induced microtubule assembly after 60 mins by OD340 methodMore data for this Ligand-Target Pair
TargetTubulin beta chain(Sus scrofa)
University of Sheffield

Curated by ChEMBL
LigandPNGBDBM50500402(CHEMBL3747607)
Show SMILES COCC(C)(C)n1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2ccccc12
Show InChI InChI=1S/C21H23N3O4/c1-21(2,13-27-3)24-12-16(15-7-5-6-8-17(15)24)19(25)20(26)23-14-9-10-18(28-4)22-11-14/h5-12H,13H2,1-4H3,(H,23,26)
Affinity DataIC50: 2.50E+3nMAssay Description:Displacement of [3H]-colchicine from biotinylated porcine tubulin after 2 hrs by competitive binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTubulin beta chain(Sus scrofa)
University of Sheffield

Curated by ChEMBL
LigandPNGBDBM50500403(CHEMBL3746996)
Show SMILES COCCn1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2cccnc12
Show InChI InChI=1S/C18H18N4O4/c1-25-9-8-22-11-14(13-4-3-7-19-17(13)22)16(23)18(24)21-12-5-6-15(26-2)20-10-12/h3-7,10-11H,8-9H2,1-2H3,(H,21,24)
Affinity DataIC50: 2.60E+3nMAssay Description:Inhibition of porcine brain tubulin polymerization assessed as reduction in GTP-induced microtubule assembly after 60 mins by OD340 methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTubulin beta chain(Sus scrofa)
University of Sheffield

Curated by ChEMBL
LigandPNGBDBM50500399(CHEMBL3746906)
Show SMILES COCC(C)n1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2ccccc12
Show InChI InChI=1S/C20H21N3O4/c1-13(12-26-2)23-11-16(15-6-4-5-7-17(15)23)19(24)20(25)22-14-8-9-18(27-3)21-10-14/h4-11,13H,12H2,1-3H3,(H,22,25)
Affinity DataIC50: 3.90E+3nMAssay Description:Inhibition of porcine brain tubulin polymerization assessed as reduction in GTP-induced microtubule assembly after 60 mins by OD340 methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTubulin beta chain(Sus scrofa)
University of Sheffield

Curated by ChEMBL
LigandPNGBDBM50500404(CHEMBL3747333)
Show SMILES COCCn1cc(C(=O)C(=O)Nc2ccc(OC(C)C)nc2)c2ccccc12
Show InChI InChI=1S/C21H23N3O4/c1-14(2)28-19-9-8-15(12-22-19)23-21(26)20(25)17-13-24(10-11-27-3)18-7-5-4-6-16(17)18/h4-9,12-14H,10-11H2,1-3H3,(H,23,26)
Affinity DataIC50: 6.60E+3nMAssay Description:Inhibition of porcine brain tubulin polymerization assessed as reduction in GTP-induced microtubule assembly after 60 mins by OD340 methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTubulin beta chain(Sus scrofa)
University of Sheffield

Curated by ChEMBL
LigandPNGBDBM50500402(CHEMBL3747607)
Show SMILES COCC(C)(C)n1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2ccccc12
Show InChI InChI=1S/C21H23N3O4/c1-21(2,13-27-3)24-12-16(15-7-5-6-8-17(15)24)19(25)20(26)23-14-9-10-18(28-4)22-11-14/h5-12H,13H2,1-4H3,(H,23,26)
Affinity DataIC50: 7.80E+3nMAssay Description:Inhibition of porcine brain tubulin polymerization assessed as reduction in GTP-induced microtubule assembly after 60 mins by OD340 methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTubulin beta chain(Sus scrofa)
University of Sheffield

Curated by ChEMBL
LigandPNGBDBM50500401(CHEMBL3746593)
Show SMILES COc1ccc(NC(=O)C(=O)c2cn(CC3CCCO3)c3ccccc23)cn1
Show InChI InChI=1S/C21H21N3O4/c1-27-19-9-8-14(11-22-19)23-21(26)20(25)17-13-24(12-15-5-4-10-28-15)18-7-3-2-6-16(17)18/h2-3,6-9,11,13,15H,4-5,10,12H2,1H3,(H,23,26)
Affinity DataIC50: 8.30E+3nMAssay Description:Inhibition of porcine brain tubulin polymerization assessed as reduction in GTP-induced microtubule assembly after 60 mins by OD340 methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTubulin beta chain(Sus scrofa)
University of Sheffield

Curated by ChEMBL
LigandPNGBDBM50500400(CHEMBL3747196)
Show SMILES COc1ccc(NC(=O)C(=O)c2cn(C(C)C)c3ccccc23)cn1
Show InChI InChI=1S/C19H19N3O3/c1-12(2)22-11-15(14-6-4-5-7-16(14)22)18(23)19(24)21-13-8-9-17(25-3)20-10-13/h4-12H,1-3H3,(H,21,24)
Affinity DataIC50: 1.49E+4nMAssay Description:Inhibition of porcine brain tubulin polymerization assessed as reduction in GTP-induced microtubule assembly after 60 mins by OD340 methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid