Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 50044563   

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))	BDBM50020865 (CHEMBL3286988) Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2cccc(Cl)c2)cc(OC)c1O Show InChI InChI=1S/C20H15ClN2O4S/c1-26-15-6-11(7-16(27-2)18(15)24)8-17-19(25)23-10-14(22-20(23)28-17)12-4-3-5-13(21)9-12/h3-10,24H,1-2H3/b17-8-	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant human microtubule associated protein tau aggregation by Thiazin-red R displacement fluorescence assay				ACS Med Chem Lett 5: 619-20 (2014) Article DOI: 10.1021/ml500147n BindingDB Entry DOI: 10.7270/Q2ZW1NGS
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50020859 (CHEMBL3286982) Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccc(Cl)cc2)cc(OC)c1O Show InChI InChI=1S/C20H15ClN2O4S/c1-26-15-7-11(8-16(27-2)18(15)24)9-17-19(25)23-10-14(22-20(23)28-17)12-3-5-13(21)6-4-12/h3-10,24H,1-2H3/b17-9-	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant human microtubule associated protein tau aggregation by Thiazin-red R displacement fluorescence assay				ACS Med Chem Lett 5: 619-20 (2014) Article DOI: 10.1021/ml500147n BindingDB Entry DOI: 10.7270/Q2ZW1NGS
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50020860 (CHEMBL3286983) Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccc(Cl)cc2)cc(Cl)c1O Show InChI InChI=1S/C19H12Cl2N2O3S/c1-26-15-7-10(6-13(21)17(15)24)8-16-18(25)23-9-14(22-19(23)27-16)11-2-4-12(20)5-3-11/h2-9,24H,1H3/b16-8-	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant human microtubule associated protein tau aggregation by Thiazin-red R displacement fluorescence assay				ACS Med Chem Lett 5: 619-20 (2014) Article DOI: 10.1021/ml500147n BindingDB Entry DOI: 10.7270/Q2ZW1NGS
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50020861 (CHEMBL3286984) Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccc(Cl)cc2)cc(Br)c1O Show InChI InChI=1S/C19H12BrClN2O3S/c1-26-15-7-10(6-13(20)17(15)24)8-16-18(25)23-9-14(22-19(23)27-16)11-2-4-12(21)5-3-11/h2-9,24H,1H3/b16-8-	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant human microtubule associated protein tau aggregation by Thiazin-red R displacement fluorescence assay				ACS Med Chem Lett 5: 619-20 (2014) Article DOI: 10.1021/ml500147n BindingDB Entry DOI: 10.7270/Q2ZW1NGS
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50020867 (CHEMBL3286989) Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2cccc(c2)C(F)(F)F)cc(Cl)c1O Show InChI InChI=1S/C20H12ClF3N2O3S/c1-29-15-6-10(5-13(21)17(15)27)7-16-18(28)26-9-14(25-19(26)30-16)11-3-2-4-12(8-11)20(22,23)24/h2-9,27H,1H3/b16-7-	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant human microtubule associated protein tau aggregation by Thiazin-red R displacement fluorescence assay				ACS Med Chem Lett 5: 619-20 (2014) Article DOI: 10.1021/ml500147n BindingDB Entry DOI: 10.7270/Q2ZW1NGS
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50020858 (CHEMBL3286981) Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccncc2)cc(OC)c1O Show InChI InChI=1S/C19H15N3O4S/c1-25-14-7-11(8-15(26-2)17(14)23)9-16-18(24)22-10-13(21-19(22)27-16)12-3-5-20-6-4-12/h3-10,23H,1-2H3/b16-9-	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant human microtubule associated protein tau aggregation by Thiazin-red R displacement fluorescence assay				ACS Med Chem Lett 5: 619-20 (2014) Article DOI: 10.1021/ml500147n BindingDB Entry DOI: 10.7270/Q2ZW1NGS
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50020862 (CHEMBL3286985) Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccc(Cl)cc2)cc(O)c1O Show InChI InChI=1S/C19H13ClN2O4S/c1-26-15-7-10(6-14(23)17(15)24)8-16-18(25)22-9-13(21-19(22)27-16)11-2-4-12(20)5-3-11/h2-9,23-24H,1H3/b16-8-	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant human microtubule associated protein tau aggregation by Thiazin-red R displacement fluorescence assay				ACS Med Chem Lett 5: 619-20 (2014) Article DOI: 10.1021/ml500147n BindingDB Entry DOI: 10.7270/Q2ZW1NGS
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50020865 (CHEMBL3286988) Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2cccc(Cl)c2)cc(OC)c1O Show InChI InChI=1S/C20H15ClN2O4S/c1-26-15-6-11(7-16(27-2)18(15)24)8-17-19(25)23-10-14(22-20(23)28-17)12-4-3-5-13(21)9-12/h3-10,24H,1-2H3/b17-8-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of amyloid beta (unknown origin) aggregation by Thiazin-red R displacement fluorescence assay				ACS Med Chem Lett 5: 619-20 (2014) Article DOI: 10.1021/ml500147n BindingDB Entry DOI: 10.7270/Q2ZW1NGS
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50020859 (CHEMBL3286982) Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccc(Cl)cc2)cc(OC)c1O Show InChI InChI=1S/C20H15ClN2O4S/c1-26-15-7-11(8-16(27-2)18(15)24)9-17-19(25)23-10-14(22-20(23)28-17)12-3-5-13(21)6-4-12/h3-10,24H,1-2H3/b17-9-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of amyloid beta (unknown origin) aggregation by Thiazin-red R displacement fluorescence assay				ACS Med Chem Lett 5: 619-20 (2014) Article DOI: 10.1021/ml500147n BindingDB Entry DOI: 10.7270/Q2ZW1NGS
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50020864 (CHEMBL3286987) Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccncc2C)cc(OC)c1O Show InChI InChI=1S/C20H17N3O4S/c1-11-9-21-5-4-13(11)14-10-23-19(25)17(28-20(23)22-14)8-12-6-15(26-2)18(24)16(7-12)27-3/h4-10,24H,1-3H3/b17-8-	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant human microtubule associated protein tau aggregation by Thiazin-red R displacement fluorescence assay				ACS Med Chem Lett 5: 619-20 (2014) Article DOI: 10.1021/ml500147n BindingDB Entry DOI: 10.7270/Q2ZW1NGS
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50020869 (CHEMBL3286990) Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2cccc(OC(F)(F)F)c2)cc(F)c1O Show InChI InChI=1S/C20H12F4N2O4S/c1-29-15-6-10(5-13(21)17(15)27)7-16-18(28)26-9-14(25-19(26)31-16)11-3-2-4-12(8-11)30-20(22,23)24/h2-9,27H,1H3/b16-7-	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant human microtubule associated protein tau aggregation by Thiazin-red R displacement fluorescence assay				ACS Med Chem Lett 5: 619-20 (2014) Article DOI: 10.1021/ml500147n BindingDB Entry DOI: 10.7270/Q2ZW1NGS
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50020861 (CHEMBL3286984) Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccc(Cl)cc2)cc(Br)c1O Show InChI InChI=1S/C19H12BrClN2O3S/c1-26-15-7-10(6-13(20)17(15)24)8-16-18(25)23-9-14(22-19(23)27-16)11-2-4-12(21)5-3-11/h2-9,24H,1H3/b16-8-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of amyloid beta (unknown origin) aggregation by Thiazin-red R displacement fluorescence assay				ACS Med Chem Lett 5: 619-20 (2014) Article DOI: 10.1021/ml500147n BindingDB Entry DOI: 10.7270/Q2ZW1NGS
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50020862 (CHEMBL3286985) Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccc(Cl)cc2)cc(O)c1O Show InChI InChI=1S/C19H13ClN2O4S/c1-26-15-7-10(6-14(23)17(15)24)8-16-18(25)22-9-13(21-19(22)27-16)11-2-4-12(20)5-3-11/h2-9,23-24H,1H3/b16-8-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of amyloid beta (unknown origin) aggregation by Thiazin-red R displacement fluorescence assay				ACS Med Chem Lett 5: 619-20 (2014) Article DOI: 10.1021/ml500147n BindingDB Entry DOI: 10.7270/Q2ZW1NGS
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50020860 (CHEMBL3286983) Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccc(Cl)cc2)cc(Cl)c1O Show InChI InChI=1S/C19H12Cl2N2O3S/c1-26-15-7-10(6-13(21)17(15)24)8-16-18(25)23-9-14(22-19(23)27-16)11-2-4-12(20)5-3-11/h2-9,24H,1H3/b16-8-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of amyloid beta (unknown origin) aggregation by Thiazin-red R displacement fluorescence assay				ACS Med Chem Lett 5: 619-20 (2014) Article DOI: 10.1021/ml500147n BindingDB Entry DOI: 10.7270/Q2ZW1NGS
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50020864 (CHEMBL3286987) Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccncc2C)cc(OC)c1O Show InChI InChI=1S/C20H17N3O4S/c1-11-9-21-5-4-13(11)14-10-23-19(25)17(28-20(23)22-14)8-12-6-15(26-2)18(24)16(7-12)27-3/h4-10,24H,1-3H3/b17-8-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of amyloid beta (unknown origin) aggregation by Thiazin-red R displacement fluorescence assay				ACS Med Chem Lett 5: 619-20 (2014) Article DOI: 10.1021/ml500147n BindingDB Entry DOI: 10.7270/Q2ZW1NGS
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50020863 (CHEMBL3286986) Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccncc2C)ccc1O Show InChI InChI=1S/C19H15N3O3S/c1-11-9-20-6-5-13(11)14-10-22-18(24)17(26-19(22)21-14)8-12-3-4-15(23)16(7-12)25-2/h3-10,23H,1-2H3/b17-8-	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant human microtubule associated protein tau aggregation by Thiazin-red R displacement fluorescence assay				ACS Med Chem Lett 5: 619-20 (2014) Article DOI: 10.1021/ml500147n BindingDB Entry DOI: 10.7270/Q2ZW1NGS
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50020858 (CHEMBL3286981) Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccncc2)cc(OC)c1O Show InChI InChI=1S/C19H15N3O4S/c1-25-14-7-11(8-15(26-2)17(14)23)9-16-18(24)22-10-13(21-19(22)27-16)12-3-5-20-6-4-12/h3-10,23H,1-2H3/b16-9-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of amyloid beta (unknown origin) aggregation by Thiazin-red R displacement fluorescence assay				ACS Med Chem Lett 5: 619-20 (2014) Article DOI: 10.1021/ml500147n BindingDB Entry DOI: 10.7270/Q2ZW1NGS
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50020867 (CHEMBL3286989) Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2cccc(c2)C(F)(F)F)cc(Cl)c1O Show InChI InChI=1S/C20H12ClF3N2O3S/c1-29-15-6-10(5-13(21)17(15)27)7-16-18(28)26-9-14(25-19(26)30-16)11-3-2-4-12(8-11)20(22,23)24/h2-9,27H,1H3/b16-7-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of amyloid beta (unknown origin) aggregation by Thiazin-red R displacement fluorescence assay				ACS Med Chem Lett 5: 619-20 (2014) Article DOI: 10.1021/ml500147n BindingDB Entry DOI: 10.7270/Q2ZW1NGS
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50020869 (CHEMBL3286990) Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2cccc(OC(F)(F)F)c2)cc(F)c1O Show InChI InChI=1S/C20H12F4N2O4S/c1-29-15-6-10(5-13(21)17(15)27)7-16-18(28)26-9-14(25-19(26)31-16)11-3-2-4-12(8-11)30-20(22,23)24/h2-9,27H,1H3/b16-7-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of amyloid beta (unknown origin) aggregation by Thiazin-red R displacement fluorescence assay				ACS Med Chem Lett 5: 619-20 (2014) Article DOI: 10.1021/ml500147n BindingDB Entry DOI: 10.7270/Q2ZW1NGS
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50020863 (CHEMBL3286986) Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccncc2C)ccc1O Show InChI InChI=1S/C19H15N3O3S/c1-11-9-20-6-5-13(11)14-10-22-18(24)17(26-19(22)21-14)8-12-3-4-15(23)16(7-12)25-2/h3-10,23H,1-2H3/b17-8-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of amyloid beta (unknown origin) aggregation by Thiazin-red R displacement fluorescence assay				ACS Med Chem Lett 5: 619-20 (2014) Article DOI: 10.1021/ml500147n BindingDB Entry DOI: 10.7270/Q2ZW1NGS
					More data for this Ligand-Target Pair