Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50003508   

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)	BDBM50471941 (CHEMBL145872) Show SMILES COc1ccc(cc1)-c1[nH]c2cc(OC)ccc2c1C=O Show InChI InChI=1S/C17H15NO3/c1-20-12-5-3-11(4-6-12)17-15(10-19)14-8-7-13(21-2)9-16(14)18-17/h3-10,18H,1-2H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+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 by a 40 uM solution of compound; compound showed inhibition >50% at 40 uM				J Med Chem 41: 4965-72 (1998) Article DOI: 10.1021/jm980228l BindingDB Entry DOI: 10.7270/Q2NV9N0D
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50471943 (CHEMBL147438) Show SMILES COc1ccc(cc1)-c1sc2cc(OC)ccc2c1C=O Show InChI InChI=1S/C17H14O3S/c1-19-12-5-3-11(4-6-12)17-15(10-18)14-8-7-13(20-2)9-16(14)21-17/h3-10H,1-2H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+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 by a 40 uM solution of compound; compound showed inhibition >50% at 40 uM				J Med Chem 41: 4965-72 (1998) Article DOI: 10.1021/jm980228l BindingDB Entry DOI: 10.7270/Q2NV9N0D
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50471940 (CHEMBL148029) Show SMILES COc1ccc(cc1)-c1[nH]c2cc(F)ccc2c1C=O Show InChI InChI=1S/C16H12FNO2/c1-20-12-5-2-10(3-6-12)16-14(9-19)13-7-4-11(17)8-15(13)18-16/h2-9,18H,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+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 by a 40 uM solution of compound; compound showed inhibition >50% at 40 uM				J Med Chem 41: 4965-72 (1998) Article DOI: 10.1021/jm980228l BindingDB Entry DOI: 10.7270/Q2NV9N0D
					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	1.90E+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 by a 40 uM solution of compound; compound showed inhibition >50% at 40 uM				J Med Chem 41: 4965-72 (1998) Article DOI: 10.1021/jm980228l BindingDB Entry DOI: 10.7270/Q2NV9N0D
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50471944 (CHEMBL144222) Show SMILES COc1ccc(cc1)-c1[nH]c2ccccc2c1C=O Show InChI InChI=1S/C16H13NO2/c1-19-12-8-6-11(7-9-12)16-14(10-18)13-4-2-3-5-15(13)17-16/h2-10,17H,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+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 by a 40 uM solution of compound; compound showed inhibition >50% at 40 uM				J Med Chem 41: 4965-72 (1998) Article DOI: 10.1021/jm980228l BindingDB Entry DOI: 10.7270/Q2NV9N0D
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50471942 (CHEMBL147487) Show SMILES COc1ccc(cc1)-c1[nH]c2ccc(OC)cc2c1C=O Show InChI InChI=1S/C17H15NO3/c1-20-12-5-3-11(4-6-12)17-15(10-19)14-9-13(21-2)7-8-16(14)18-17/h3-10,18H,1-2H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+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 by a 40 uM solution of compound; compound showed inhibition >50% at 40 uM				J Med Chem 41: 4965-72 (1998) Article DOI: 10.1021/jm980228l BindingDB Entry DOI: 10.7270/Q2NV9N0D
					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	8.90E+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 by a 40 uM solution of compound; compound showed inhibition >50% at 40 uM				J Med Chem 41: 4965-72 (1998) Article DOI: 10.1021/jm980228l BindingDB Entry DOI: 10.7270/Q2NV9N0D
					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	1.90E+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 by a 40 uM solution of compound; compound showed inhibition >50% at 40 uM				J Med Chem 41: 4965-72 (1998) Article DOI: 10.1021/jm980228l BindingDB Entry DOI: 10.7270/Q2NV9N0D
					More data for this Ligand-Target Pair