Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50045353   

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)	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	830	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization by fluorescence analysis				Bioorg Med Chem 22: 5466-75 (2014) Article DOI: 10.1016/j.bmc.2014.07.031 BindingDB Entry DOI: 10.7270/Q25D8TH0
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50058381 (CHEMBL3334927) Show SMILES COC(=O)[C@@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)c2cc3OCOc3cc2C=C1c1nc2ccc(Br)cc2[nH]1 |r,c:30| Show InChI InChI=1S/C29H25BrN2O7/c1-34-23-9-15(10-24(35-2)27(23)36-3)25-17-12-22-21(38-13-39-22)8-14(17)7-18(26(25)29(33)37-4)28-31-19-6-5-16(30)11-20(19)32-28/h5-12,25-26H,13H2,1-4H3,(H,31,32)/t25-,26+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization by fluorescence analysis				Bioorg Med Chem 22: 5466-75 (2014) Article DOI: 10.1016/j.bmc.2014.07.031 BindingDB Entry DOI: 10.7270/Q25D8TH0
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50058412 (CHEMBL3334928) Show SMILES COC(=O)[C@@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)c2cc3OCOc3cc2C=C1c1nc2ccc(OC)cc2[nH]1 |r,c:30| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization by fluorescence analysis				Bioorg Med Chem 22: 5466-75 (2014) Article DOI: 10.1016/j.bmc.2014.07.031 BindingDB Entry DOI: 10.7270/Q25D8TH0
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50058371 (CHEMBL3334924) Show SMILES COC(=O)[C@@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)c2cc3OCOc3cc2C=C1c1nc2ccccc2[nH]1 |r,c:30| Show InChI InChI=1S/C29H26N2O7/c1-33-23-11-16(12-24(34-2)27(23)35-3)25-17-13-22-21(37-14-38-22)10-15(17)9-18(26(25)29(32)36-4)28-30-19-7-5-6-8-20(19)31-28/h5-13,25-26H,14H2,1-4H3,(H,30,31)/t25-,26+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization by fluorescence analysis				Bioorg Med Chem 22: 5466-75 (2014) Article DOI: 10.1016/j.bmc.2014.07.031 BindingDB Entry DOI: 10.7270/Q25D8TH0
					More data for this Ligand-Target Pair