Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50003472   

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)	BDBM50012278 ((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...) Show SMILES CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:48| Show InChI InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization using isolated calf brain				J Med Chem 40: 3524-33 (1997) Article DOI: 10.1021/jm970177c BindingDB Entry DOI: 10.7270/Q29S1TRH
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50035218 (CHEMBL61 | PODOFILOX | Podophyllinic acid lactone ...) Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization using isolated calf brain				J Med Chem 40: 3524-33 (1997) Article DOI: 10.1021/jm970177c BindingDB Entry DOI: 10.7270/Q29S1TRH
					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	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization using isolated calf brain at 26 degrees C				J Med Chem 40: 3524-33 (1997) Article DOI: 10.1021/jm970177c BindingDB Entry DOI: 10.7270/Q29S1TRH
					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	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization using isolated calf brain at 37 degrees C				J Med Chem 40: 3524-33 (1997) Article DOI: 10.1021/jm970177c BindingDB Entry DOI: 10.7270/Q29S1TRH
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50471429 (CHEMBL120152) Show SMILES CCCCC1Cc2cc(O)ccc2-c2c(C=O)c3ccc(O)cc3n12 Show InChI InChI=1S/C21H21NO3/c1-2-3-4-14-9-13-10-15(24)5-7-17(13)21-19(12-23)18-8-6-16(25)11-20(18)22(14)21/h5-8,10-12,14,24-25H,2-4,9H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization using isolated calf brain				J Med Chem 40: 3524-33 (1997) Article DOI: 10.1021/jm970177c BindingDB Entry DOI: 10.7270/Q29S1TRH
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50471432 (CHEMBL118314) Show SMILES CCCC1Cc2cc(O)ccc2-c2c(C=O)c3ccc(O)cc3n12 Show InChI InChI=1S/C20H19NO3/c1-2-3-13-8-12-9-14(23)4-6-16(12)20-18(11-22)17-7-5-15(24)10-19(17)21(13)20/h4-7,9-11,13,23-24H,2-3,8H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization using isolated calf brain				J Med Chem 40: 3524-33 (1997) Article DOI: 10.1021/jm970177c BindingDB Entry DOI: 10.7270/Q29S1TRH
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50060957 (2-Hydroxyestradol 2-methyl ether | 2-methoxy-17bet...) Show SMILES COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O |r| Show InChI InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization using isolated calf brain at 26 degrees C				J Med Chem 40: 3524-33 (1997) Article DOI: 10.1021/jm970177c BindingDB Entry DOI: 10.7270/Q29S1TRH
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50471434 (CHEMBL334005) Show SMILES CCCCC1Cc2cc(O)ccc2-c2c(C#N)c3ccc(O)cc3n12 Show InChI InChI=1S/C21H20N2O2/c1-2-3-4-14-9-13-10-15(24)5-7-17(13)21-19(12-22)18-8-6-16(25)11-20(18)23(14)21/h5-8,10-11,14,24-25H,2-4,9H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization using isolated calf brain at 37 degrees C				J Med Chem 40: 3524-33 (1997) Article DOI: 10.1021/jm970177c BindingDB Entry DOI: 10.7270/Q29S1TRH
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50471430 (CHEMBL117057) Show SMILES CCCCC1Cc2cc(O)ccc2-c2c(C=O)c3cc(O)c(O)cc3n12 Show InChI InChI=1S/C21H21NO4/c1-2-3-4-13-7-12-8-14(24)5-6-15(12)21-17(11-23)16-9-19(25)20(26)10-18(16)22(13)21/h5-6,8-11,13,24-26H,2-4,7H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization using isolated calf brain at 37 degrees C				J Med Chem 40: 3524-33 (1997) Article DOI: 10.1021/jm970177c BindingDB Entry DOI: 10.7270/Q29S1TRH
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50471433 (CHEMBL119181) Show SMILES CCCCC1Cc2cc(O)ccc2-c2c(C=O)c3cc(O)ccc3n12 Show InChI InChI=1S/C21H21NO3/c1-2-3-4-14-9-13-10-15(24)5-7-17(13)21-19(12-23)18-11-16(25)6-8-20(18)22(14)21/h5-8,10-12,14,24-25H,2-4,9H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization using isolated calf brain at 37 degrees C				J Med Chem 40: 3524-33 (1997) Article DOI: 10.1021/jm970177c BindingDB Entry DOI: 10.7270/Q29S1TRH
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50471431 (CHEMBL118695) Show SMILES CCCCC1Cc2cc(O)ccc2-c2c(C#N)c3cc(O)c(O)cc3n12 Show InChI InChI=1S/C21H20N2O3/c1-2-3-4-13-7-12-8-14(24)5-6-15(12)21-17(11-22)16-9-19(25)20(26)10-18(16)23(13)21/h5-6,8-10,13,24-26H,2-4,7H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization using isolated calf brain at 37 degrees C				J Med Chem 40: 3524-33 (1997) Article DOI: 10.1021/jm970177c BindingDB Entry DOI: 10.7270/Q29S1TRH
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50471429 (CHEMBL120152) Show SMILES CCCCC1Cc2cc(O)ccc2-c2c(C=O)c3ccc(O)cc3n12 Show InChI InChI=1S/C21H21NO3/c1-2-3-4-14-9-13-10-15(24)5-7-17(13)21-19(12-23)18-8-6-16(25)11-20(18)22(14)21/h5-8,10-12,14,24-25H,2-4,9H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization using isolated calf brain				J Med Chem 40: 3524-33 (1997) Article DOI: 10.1021/jm970177c BindingDB Entry DOI: 10.7270/Q29S1TRH
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50060957 (2-Hydroxyestradol 2-methyl ether | 2-methoxy-17bet...) Show SMILES COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O |r| Show InChI InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization using isolated calf brain				J Med Chem 40: 3524-33 (1997) Article DOI: 10.1021/jm970177c BindingDB Entry DOI: 10.7270/Q29S1TRH
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50471432 (CHEMBL118314) Show SMILES CCCC1Cc2cc(O)ccc2-c2c(C=O)c3ccc(O)cc3n12 Show InChI InChI=1S/C20H19NO3/c1-2-3-13-8-12-9-14(23)4-6-16(12)20-18(11-22)17-7-5-15(24)10-19(17)21(13)20/h4-7,9-11,13,23-24H,2-3,8H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization using isolated calf brain				J Med Chem 40: 3524-33 (1997) Article DOI: 10.1021/jm970177c BindingDB Entry DOI: 10.7270/Q29S1TRH
					More data for this Ligand-Target Pair