Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50048476   

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
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50014846 ((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 |r| 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	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 45 degree C				Bioorg Med Chem Lett 9: 407-12 (1999) BindingDB Entry DOI: 10.7270/Q2BG2R5N
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50014846 ((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 |r| 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	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 37 degree C				Bioorg Med Chem Lett 9: 407-12 (1999) BindingDB Entry DOI: 10.7270/Q2BG2R5N
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50217336 (CHEMBL131684) Show SMILES COc1ccc(cc1O)C1CCc2cc(OC)c(OC)c(OC)c12 Show InChI InChI=1S/C19H22O5/c1-21-15-8-6-11(9-14(15)20)13-7-5-12-10-16(22-2)18(23-3)19(24-4)17(12)13/h6,8-10,13,20H,5,7H2,1-4H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 37 degree C				Bioorg Med Chem Lett 9: 407-12 (1999) BindingDB Entry DOI: 10.7270/Q2BG2R5N
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50217336 (CHEMBL131684) Show SMILES COc1ccc(cc1O)C1CCc2cc(OC)c(OC)c(OC)c12 Show InChI InChI=1S/C19H22O5/c1-21-15-8-6-11(9-14(15)20)13-7-5-12-10-16(22-2)18(23-3)19(24-4)17(12)13/h6,8-10,13,20H,5,7H2,1-4H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 45 degree C				Bioorg Med Chem Lett 9: 407-12 (1999) BindingDB Entry DOI: 10.7270/Q2BG2R5N
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50014846 ((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 |r| 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	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 30 degree C				Bioorg Med Chem Lett 9: 407-12 (1999) BindingDB Entry DOI: 10.7270/Q2BG2R5N
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50217336 (CHEMBL131684) Show SMILES COc1ccc(cc1O)C1CCc2cc(OC)c(OC)c(OC)c12 Show InChI InChI=1S/C19H22O5/c1-21-15-8-6-11(9-14(15)20)13-7-5-12-10-16(22-2)18(23-3)19(24-4)17(12)13/h6,8-10,13,20H,5,7H2,1-4H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 30 degree C				Bioorg Med Chem Lett 9: 407-12 (1999) BindingDB Entry DOI: 10.7270/Q2BG2R5N
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50217334 (CHEMBL130088) Show SMILES CCOc1cccc(cc1=O)C1CCc2cc(OC)c(OC)c(OC)c12 Show InChI InChI=1S/C21H24O5/c1-5-26-17-8-6-7-13(11-16(17)22)15-10-9-14-12-18(23-2)20(24-3)21(25-4)19(14)15/h6-8,11-12,15H,5,9-10H2,1-4H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 45 degree C				Bioorg Med Chem Lett 9: 407-12 (1999) BindingDB Entry DOI: 10.7270/Q2BG2R5N
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50217334 (CHEMBL130088) Show SMILES CCOc1cccc(cc1=O)C1CCc2cc(OC)c(OC)c(OC)c12 Show InChI InChI=1S/C21H24O5/c1-5-26-17-8-6-7-13(11-16(17)22)15-10-9-14-12-18(23-2)20(24-3)21(25-4)19(14)15/h6-8,11-12,15H,5,9-10H2,1-4H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 37 degree C				Bioorg Med Chem Lett 9: 407-12 (1999) BindingDB Entry DOI: 10.7270/Q2BG2R5N
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50217333 (CHEMBL336290) Show SMILES COc1cc2CCC(c2c(OC)c1OC)c1cccc(OC)c(=O)c1 Show InChI InChI=1S/C20H22O5/c1-22-16-7-5-6-12(10-15(16)21)14-9-8-13-11-17(23-2)19(24-3)20(25-4)18(13)14/h5-7,10-11,14H,8-9H2,1-4H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 45 degree C				Bioorg Med Chem Lett 9: 407-12 (1999) BindingDB Entry DOI: 10.7270/Q2BG2R5N
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50217333 (CHEMBL336290) Show SMILES COc1cc2CCC(c2c(OC)c1OC)c1cccc(OC)c(=O)c1 Show InChI InChI=1S/C20H22O5/c1-22-16-7-5-6-12(10-15(16)21)14-9-8-13-11-17(23-2)19(24-3)20(25-4)18(13)14/h5-7,10-11,14H,8-9H2,1-4H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 37 degree C				Bioorg Med Chem Lett 9: 407-12 (1999) BindingDB Entry DOI: 10.7270/Q2BG2R5N
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50217337 (CHEMBL130312) Show SMILES COc1cc2CCC(c2c(OC)c1OC)c1cccc(Br)c(=O)c1 Show InChI InChI=1S/C19H19BrO4/c1-22-16-10-12-7-8-13(17(12)19(24-3)18(16)23-2)11-5-4-6-14(20)15(21)9-11/h4-6,9-10,13H,7-8H2,1-3H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 45 degree C				Bioorg Med Chem Lett 9: 407-12 (1999) BindingDB Entry DOI: 10.7270/Q2BG2R5N
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50217338 (CHEMBL132688) Show SMILES CNc1cccc(cc1=O)C1CCc2cc(OC)c(OC)c(OC)c12 Show InChI InChI=1S/C20H23NO4/c1-21-15-7-5-6-12(10-16(15)22)14-9-8-13-11-17(23-2)19(24-3)20(25-4)18(13)14/h5-7,10-11,14H,8-9H2,1-4H3,(H,21,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 37 degree C				Bioorg Med Chem Lett 9: 407-12 (1999) BindingDB Entry DOI: 10.7270/Q2BG2R5N
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50217335 (CHEMBL423697) Show SMILES COc1cc2CCC(c2c(OC)c1OC)c1cccc(N)c(=O)c1 Show InChI InChI=1S/C19H21NO4/c1-22-16-10-12-7-8-13(17(12)19(24-3)18(16)23-2)11-5-4-6-14(20)15(21)9-11/h4-6,9-10,13H,7-8H2,1-3H3,(H2,20,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 45 degree C				Bioorg Med Chem Lett 9: 407-12 (1999) BindingDB Entry DOI: 10.7270/Q2BG2R5N
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50217335 (CHEMBL423697) Show SMILES COc1cc2CCC(c2c(OC)c1OC)c1cccc(N)c(=O)c1 Show InChI InChI=1S/C19H21NO4/c1-22-16-10-12-7-8-13(17(12)19(24-3)18(16)23-2)11-5-4-6-14(20)15(21)9-11/h4-6,9-10,13H,7-8H2,1-3H3,(H2,20,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 37 degree C				Bioorg Med Chem Lett 9: 407-12 (1999) BindingDB Entry DOI: 10.7270/Q2BG2R5N
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50217334 (CHEMBL130088) Show SMILES CCOc1cccc(cc1=O)C1CCc2cc(OC)c(OC)c(OC)c12 Show InChI InChI=1S/C21H24O5/c1-5-26-17-8-6-7-13(11-16(17)22)15-10-9-14-12-18(23-2)20(24-3)21(25-4)19(14)15/h6-8,11-12,15H,5,9-10H2,1-4H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 30 degree C				Bioorg Med Chem Lett 9: 407-12 (1999) BindingDB Entry DOI: 10.7270/Q2BG2R5N
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50217337 (CHEMBL130312) Show SMILES COc1cc2CCC(c2c(OC)c1OC)c1cccc(Br)c(=O)c1 Show InChI InChI=1S/C19H19BrO4/c1-22-16-10-12-7-8-13(17(12)19(24-3)18(16)23-2)11-5-4-6-14(20)15(21)9-11/h4-6,9-10,13H,7-8H2,1-3H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.81E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 37 degree C				Bioorg Med Chem Lett 9: 407-12 (1999) BindingDB Entry DOI: 10.7270/Q2BG2R5N
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50217335 (CHEMBL423697) Show SMILES COc1cc2CCC(c2c(OC)c1OC)c1cccc(N)c(=O)c1 Show InChI InChI=1S/C19H21NO4/c1-22-16-10-12-7-8-13(17(12)19(24-3)18(16)23-2)11-5-4-6-14(20)15(21)9-11/h4-6,9-10,13H,7-8H2,1-3H3,(H2,20,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 30 degree C				Bioorg Med Chem Lett 9: 407-12 (1999) BindingDB Entry DOI: 10.7270/Q2BG2R5N
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50217338 (CHEMBL132688) Show SMILES CNc1cccc(cc1=O)C1CCc2cc(OC)c(OC)c(OC)c12 Show InChI InChI=1S/C20H23NO4/c1-21-15-7-5-6-12(10-16(15)22)14-9-8-13-11-17(23-2)19(24-3)20(25-4)18(13)14/h5-7,10-11,14H,8-9H2,1-4H3,(H,21,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 30 degree C				Bioorg Med Chem Lett 9: 407-12 (1999) BindingDB Entry DOI: 10.7270/Q2BG2R5N
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50217337 (CHEMBL130312) Show SMILES COc1cc2CCC(c2c(OC)c1OC)c1cccc(Br)c(=O)c1 Show InChI InChI=1S/C19H19BrO4/c1-22-16-10-12-7-8-13(17(12)19(24-3)18(16)23-2)11-5-4-6-14(20)15(21)9-11/h4-6,9-10,13H,7-8H2,1-3H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 30 degree C				Bioorg Med Chem Lett 9: 407-12 (1999) BindingDB Entry DOI: 10.7270/Q2BG2R5N
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50217332 (CHEMBL131756) Show SMILES COc1cc(ccc1O)C1CCc2cc(OC)c(OC)c(OC)c12 Show InChI InChI=1S/C19H22O5/c1-21-15-9-11(6-8-14(15)20)13-7-5-12-10-16(22-2)18(23-3)19(24-4)17(12)13/h6,8-10,13,20H,5,7H2,1-4H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 37 degree C				Bioorg Med Chem Lett 9: 407-12 (1999) BindingDB Entry DOI: 10.7270/Q2BG2R5N
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50217332 (CHEMBL131756) Show SMILES COc1cc(ccc1O)C1CCc2cc(OC)c(OC)c(OC)c12 Show InChI InChI=1S/C19H22O5/c1-21-15-9-11(6-8-14(15)20)13-7-5-12-10-16(22-2)18(23-3)19(24-4)17(12)13/h6,8-10,13,20H,5,7H2,1-4H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 45 degree C				Bioorg Med Chem Lett 9: 407-12 (1999) BindingDB Entry DOI: 10.7270/Q2BG2R5N
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50217332 (CHEMBL131756) Show SMILES COc1cc(ccc1O)C1CCc2cc(OC)c(OC)c(OC)c12 Show InChI InChI=1S/C19H22O5/c1-21-15-9-11(6-8-14(15)20)13-7-5-12-10-16(22-2)18(23-3)19(24-4)17(12)13/h6,8-10,13,20H,5,7H2,1-4H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 30 degree C				Bioorg Med Chem Lett 9: 407-12 (1999) BindingDB Entry DOI: 10.7270/Q2BG2R5N
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50217333 (CHEMBL336290) Show SMILES COc1cc2CCC(c2c(OC)c1OC)c1cccc(OC)c(=O)c1 Show InChI InChI=1S/C20H22O5/c1-22-16-7-5-6-12(10-15(16)21)14-9-8-13-11-17(23-2)19(24-3)20(25-4)18(13)14/h5-7,10-11,14H,8-9H2,1-4H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.08E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 30 degree C				Bioorg Med Chem Lett 9: 407-12 (1999) BindingDB Entry DOI: 10.7270/Q2BG2R5N
					More data for this Ligand-Target Pair