Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50040936   

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
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50402408 (CHEMBL2203332) Show SMILES CCCC[N+]1=C(\C=C\c2ccc(cc2)N(CC)CC)C(C)(C)c2ccccc12 |c:4| Show InChI InChI=1S/C26H35N2/c1-6-9-20-28-24-13-11-10-12-23(24)26(4,5)25(28)19-16-21-14-17-22(18-15-21)27(7-2)8-3/h10-19H,6-9,20H2,1-5H3/q+1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Displacement of thiazine red R from human Tau aggregate expressed in Escherichia coli after 30 mins by fluorimetric analysis				Bioorg Med Chem Lett 22: 7667-71 (2012) Article DOI: 10.1016/j.bmcl.2012.09.109 BindingDB Entry DOI: 10.7270/Q2TQ62PC
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50402407 (CHEMBL2207756) Show SMILES C[N+]1=C(\C=C\c2ccc(cc2)N2CCCC2)C(C)(C)c2ccccc12 |c:1| Show InChI InChI=1S/C23H27N2/c1-23(2)20-8-4-5-9-21(20)24(3)22(23)15-12-18-10-13-19(14-11-18)25-16-6-7-17-25/h4-5,8-15H,6-7,16-17H2,1-3H3/q+1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Displacement of thiazine red R from human Tau aggregate expressed in Escherichia coli after 30 mins by fluorimetric analysis				Bioorg Med Chem Lett 22: 7667-71 (2012) Article DOI: 10.1016/j.bmcl.2012.09.109 BindingDB Entry DOI: 10.7270/Q2TQ62PC
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50398211 (CHEMBL2181036) Show SMILES COc1cc(\C=C\c2ccc(O)cc2)ccc1\C=C\c1ccc(O)cc1 Show InChI InChI=1S/C23H20O3/c1-26-23-16-19(3-2-17-6-12-21(24)13-7-17)5-11-20(23)10-4-18-8-14-22(25)15-9-18/h2-16,24-25H,1H3/b3-2+,10-4+	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	246	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Displacement of thiazine red R from human Tau aggregate expressed in Escherichia coli after 30 mins by fluorimetric analysis				Bioorg Med Chem Lett 22: 7667-71 (2012) Article DOI: 10.1016/j.bmcl.2012.09.109 BindingDB Entry DOI: 10.7270/Q2TQ62PC
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50185987 (2-(1-(6-((2-fluoroethyl)(methyl)amino)naphthalen-2...) Show SMILES [#6]-[#7](-[#6]-[#6]F)-c1ccc2cc(ccc2c1)-[#6](\[#6])=[#6](\C#N)C#N Show InChI InChI=1S/C18H16FN3/c1-13(17(11-20)12-21)14-3-4-16-10-18(22(2)8-7-19)6-5-15(16)9-14/h3-6,9-10H,7-8H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Displacement of thiazine red R from human Tau aggregate expressed in Escherichia coli after 30 mins by fluorimetric analysis				Bioorg Med Chem Lett 22: 7667-71 (2012) Article DOI: 10.1016/j.bmcl.2012.09.109 BindingDB Entry DOI: 10.7270/Q2TQ62PC
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50129793 (2-(4''-methylaminophenyl)-6-hydroxybenzothiazole |...) Show SMILES CNc1ccc(cc1)-c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Displacement of thiazine red R from human Tau aggregate expressed in Escherichia coli after 30 mins by fluorimetric analysis				Bioorg Med Chem Lett 22: 7667-71 (2012) Article DOI: 10.1016/j.bmcl.2012.09.109 BindingDB Entry DOI: 10.7270/Q2TQ62PC
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50402406 (CHEMBL2069534) Show SMILES CNc1ccc(cc1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C16H14N2/c1-17-14-9-6-13(7-10-14)16-11-8-12-4-2-3-5-15(12)18-16/h2-11,17H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Displacement of thiazine red R from human Tau aggregate expressed in Escherichia coli after 30 mins by fluorimetric analysis				Bioorg Med Chem Lett 22: 7667-71 (2012) Article DOI: 10.1016/j.bmcl.2012.09.109 BindingDB Entry DOI: 10.7270/Q2TQ62PC
					More data for this Ligand-Target Pair