Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50029398   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50005480 ((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...) Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for the inhibitory concentration against porcine brain tubulin polymerization				Bioorg Med Chem Lett 4: 699-704 (1994) Article DOI: 10.1016/S0960-894X(01)80183-9 BindingDB Entry DOI: 10.7270/Q2P55NGK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50284111 (2-Methoxy-5-[propyl-(3,4,5-trimethoxy-benzyl)-amin...) Show SMILES CCCN(Cc1cc(OC)c(OC)c(OC)c1)c1ccc(OC)c(O)c1 Show InChI InChI=1S/C20H27NO5/c1-6-9-21(15-7-8-17(23-2)16(22)12-15)13-14-10-18(24-3)20(26-5)19(11-14)25-4/h7-8,10-12,22H,6,9,13H2,1-5H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for the inhibitory concentration against porcine brain tubulin polymerization				Bioorg Med Chem Lett 4: 699-704 (1994) Article DOI: 10.1016/S0960-894X(01)80183-9 BindingDB Entry DOI: 10.7270/Q2P55NGK
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50284103 (5-[Butyl-(3,4,5-trimethoxy-benzyl)-amino]-2-methox...) Show SMILES CCCCN(Cc1cc(OC)c(OC)c(OC)c1)c1ccc(OC)c(O)c1 Show InChI InChI=1S/C21H29NO5/c1-6-7-10-22(16-8-9-18(24-2)17(23)13-16)14-15-11-19(25-3)21(27-5)20(12-15)26-4/h8-9,11-13,23H,6-7,10,14H2,1-5H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for the inhibitory concentration against porcine brain tubulin polymerization				Bioorg Med Chem Lett 4: 699-704 (1994) Article DOI: 10.1016/S0960-894X(01)80183-9 BindingDB Entry DOI: 10.7270/Q2P55NGK
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50284104 (5-[Ethyl-(3,4,5-trimethoxy-benzyl)-amino]-2-methox...) Show SMILES CCN(Cc1cc(OC)c(OC)c(OC)c1)c1ccc(OC)c(O)c1 Show InChI InChI=1S/C19H25NO5/c1-6-20(14-7-8-16(22-2)15(21)11-14)12-13-9-17(23-3)19(25-5)18(10-13)24-4/h7-11,21H,6,12H2,1-5H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for the inhibitory concentration against porcine brain tubulin polymerization				Bioorg Med Chem Lett 4: 699-704 (1994) Article DOI: 10.1016/S0960-894X(01)80183-9 BindingDB Entry DOI: 10.7270/Q2P55NGK
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50284116 (5-[(5-Hydroxy-pentyl)-(3,4,5-trimethoxy-benzyl)-am...) Show SMILES COc1ccc(cc1O)N(CCCCCO)Cc1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C22H31NO6/c1-26-19-9-8-17(14-18(19)25)23(10-6-5-7-11-24)15-16-12-20(27-2)22(29-4)21(13-16)28-3/h8-9,12-14,24-25H,5-7,10-11,15H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for the inhibitory concentration against porcine brain tubulin polymerization				Bioorg Med Chem Lett 4: 699-704 (1994) Article DOI: 10.1016/S0960-894X(01)80183-9 BindingDB Entry DOI: 10.7270/Q2P55NGK
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50284109 (2-Methoxy-5-[pentyl-(3,4,5-trimethoxy-benzyl)-amin...) Show SMILES CCCCCN(Cc1cc(OC)c(OC)c(OC)c1)c1ccc(OC)c(O)c1 Show InChI InChI=1S/C22H31NO5/c1-6-7-8-11-23(17-9-10-19(25-2)18(24)14-17)15-16-12-20(26-3)22(28-5)21(13-16)27-4/h9-10,12-14,24H,6-8,11,15H2,1-5H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for the inhibitory concentration against porcine brain tubulin polymerization				Bioorg Med Chem Lett 4: 699-704 (1994) Article DOI: 10.1016/S0960-894X(01)80183-9 BindingDB Entry DOI: 10.7270/Q2P55NGK
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50284106 (5-[Hexyl-(3,4,5-trimethoxy-benzyl)-amino]-2-methox...) Show SMILES CCCCCCN(Cc1cc(OC)c(OC)c(OC)c1)c1ccc(OC)c(O)c1 Show InChI InChI=1S/C23H33NO5/c1-6-7-8-9-12-24(18-10-11-20(26-2)19(25)15-18)16-17-13-21(27-3)23(29-5)22(14-17)28-4/h10-11,13-15,25H,6-9,12,16H2,1-5H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for the inhibitory concentration against porcine brain tubulin polymerization				Bioorg Med Chem Lett 4: 699-704 (1994) Article DOI: 10.1016/S0960-894X(01)80183-9 BindingDB Entry DOI: 10.7270/Q2P55NGK
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50284102 (4-[(3-Hydroxy-4-methoxy-phenyl)-(3,4,5-trimethoxy-...) Show SMILES COc1ccc(cc1O)N(CCCC(O)=O)Cc1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C21H27NO7/c1-26-17-8-7-15(12-16(17)23)22(9-5-6-20(24)25)13-14-10-18(27-2)21(29-4)19(11-14)28-3/h7-8,10-12,23H,5-6,9,13H2,1-4H3,(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for the inhibitory concentration against porcine brain tubulin polymerization				Bioorg Med Chem Lett 4: 699-704 (1994) Article DOI: 10.1016/S0960-894X(01)80183-9 BindingDB Entry DOI: 10.7270/Q2P55NGK
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50284108 (2-Methoxy-5-[methyl-(3,4,5-trimethoxy-benzyl)-amin...) Show SMILES COc1ccc(cc1O)N(C)Cc1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C18H23NO5/c1-19(13-6-7-15(21-2)14(20)10-13)11-12-8-16(22-3)18(24-5)17(9-12)23-4/h6-10,20H,11H2,1-5H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for the inhibitory concentration against porcine brain tubulin polymerization				Bioorg Med Chem Lett 4: 699-704 (1994) Article DOI: 10.1016/S0960-894X(01)80183-9 BindingDB Entry DOI: 10.7270/Q2P55NGK
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50284115 (2-Methoxy-5-(3,4,5-trimethoxy-benzylamino)-phenol ...) Show SMILES COc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1O Show InChI InChI=1S/C17H21NO5/c1-20-14-6-5-12(9-13(14)19)18-10-11-7-15(21-2)17(23-4)16(8-11)22-3/h5-9,18-19H,10H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for the inhibitory concentration against porcine brain tubulin polymerization				Bioorg Med Chem Lett 4: 699-704 (1994) Article DOI: 10.1016/S0960-894X(01)80183-9 BindingDB Entry DOI: 10.7270/Q2P55NGK
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50284114 (CHEMBL345437 | N-(3-Hydroxy-4-methoxy-phenyl)-N-(3...) Show SMILES CCC(=O)N(Cc1cc(OC)c(OC)c(OC)c1)c1ccc(OC)c(O)c1 Show InChI InChI=1S/C20H25NO6/c1-6-19(23)21(14-7-8-16(24-2)15(22)11-14)12-13-9-17(25-3)20(27-5)18(10-13)26-4/h7-11,22H,6,12H2,1-5H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for the inhibitory concentration against porcine brain tubulin polymerization				Bioorg Med Chem Lett 4: 699-704 (1994) Article DOI: 10.1016/S0960-894X(01)80183-9 BindingDB Entry DOI: 10.7270/Q2P55NGK
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50284113 (2-Methoxy-5-{[methyl-(3,4,5-trimethoxy-phenyl)-ami...) Show SMILES COc1ccc(CN(C)c2cc(OC)c(OC)c(OC)c2)cc1O Show InChI InChI=1S/C18H23NO5/c1-19(11-12-6-7-15(21-2)14(20)8-12)13-9-16(22-3)18(24-5)17(10-13)23-4/h6-10,20H,11H2,1-5H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for the inhibitory concentration against porcine brain tubulin polymerization				Bioorg Med Chem Lett 4: 699-704 (1994) Article DOI: 10.1016/S0960-894X(01)80183-9 BindingDB Entry DOI: 10.7270/Q2P55NGK
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50284112 (CHEMBL353574 | N-(3-Hydroxy-4-methoxy-phenyl)-3,4,...) Show SMILES COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1O Show InChI InChI=1S/C17H19NO6/c1-21-13-6-5-11(9-12(13)19)18-17(20)10-7-14(22-2)16(24-4)15(8-10)23-3/h5-9,19H,1-4H3,(H,18,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for the inhibitory concentration against porcine brain tubulin polymerization				Bioorg Med Chem Lett 4: 699-704 (1994) Article DOI: 10.1016/S0960-894X(01)80183-9 BindingDB Entry DOI: 10.7270/Q2P55NGK
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50284110 (3-Hydroxy-4-methoxy-N-(3,4,5-trimethoxy-phenyl)-be...) Show SMILES COc1ccc(cc1O)C(=O)Nc1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C17H19NO6/c1-21-13-6-5-10(7-12(13)19)17(20)18-11-8-14(22-2)16(24-4)15(9-11)23-3/h5-9,19H,1-4H3,(H,18,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for the inhibitory concentration against porcine brain tubulin polymerization				Bioorg Med Chem Lett 4: 699-704 (1994) Article DOI: 10.1016/S0960-894X(01)80183-9 BindingDB Entry DOI: 10.7270/Q2P55NGK
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50284107 (3-Hydroxy-4-methoxy-N-methyl-N-(3,4,5-trimethoxy-p...) Show SMILES COc1ccc(cc1O)C(=O)N(C)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C18H21NO6/c1-19(18(21)11-6-7-14(22-2)13(20)8-11)12-9-15(23-3)17(25-5)16(10-12)24-4/h6-10,20H,1-5H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for the inhibitory concentration against porcine brain tubulin polymerization				Bioorg Med Chem Lett 4: 699-704 (1994) Article DOI: 10.1016/S0960-894X(01)80183-9 BindingDB Entry DOI: 10.7270/Q2P55NGK
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50284105 (2-Methoxy-5-[(3,4,5-trimethoxy-phenylamino)-methyl...) Show SMILES COc1ccc(CNc2cc(OC)c(OC)c(OC)c2)cc1O Show InChI InChI=1S/C17H21NO5/c1-20-14-6-5-11(7-13(14)19)10-18-12-8-15(21-2)17(23-4)16(9-12)22-3/h5-9,18-19H,10H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for the inhibitory concentration against porcine brain tubulin polymerization				Bioorg Med Chem Lett 4: 699-704 (1994) Article DOI: 10.1016/S0960-894X(01)80183-9 BindingDB Entry DOI: 10.7270/Q2P55NGK
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50284100 (CHEMBL159897 | N-(3-Hydroxy-4-methoxy-phenyl)-3,4,...) Show SMILES COc1ccc(cc1O)N(C)C(=O)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C18H21NO6/c1-19(12-6-7-14(22-2)13(20)10-12)18(21)11-8-15(23-3)17(25-5)16(9-11)24-4/h6-10,20H,1-5H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for the inhibitory concentration against porcine brain tubulin polymerization				Bioorg Med Chem Lett 4: 699-704 (1994) Article DOI: 10.1016/S0960-894X(01)80183-9 BindingDB Entry DOI: 10.7270/Q2P55NGK
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50284101 (CHEMBL159402 | N-(3-Hydroxy-4-methoxy-phenyl)-N-(3...) Show SMILES COc1ccc(cc1O)N(Cc1cc(OC)c(OC)c(OC)c1)C(C)=O Show InChI InChI=1S/C19H23NO6/c1-12(21)20(14-6-7-16(23-2)15(22)10-14)11-13-8-17(24-3)19(26-5)18(9-13)25-4/h6-10,22H,11H2,1-5H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for the inhibitory concentration against porcine brain tubulin polymerization				Bioorg Med Chem Lett 4: 699-704 (1994) Article DOI: 10.1016/S0960-894X(01)80183-9 BindingDB Entry DOI: 10.7270/Q2P55NGK
					More data for this Ligand-Target Pair