Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 1020   

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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM303149 (US10137210, Example [N-methyl-11C]6-MeO-BTA-2) Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(CO)cc2s1 Show InChI InChI=1S/C16H16N2OS/c1-18(2)13-6-4-12(5-7-13)16-17-14-8-3-11(10-19)9-15(14)20-16/h3-9,19H,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Initial competitive binding studies using [3H]CG and synthetic Aβ(1-40) were conducted to determine if CG, ThS and ThT bound to the same site(s)...				US Patent US10137210 (2018) BindingDB Entry DOI: 10.7270/Q21C1ZXS
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM303166 (US10137210, Example 00026) Show SMILES CNc1ccc(cc1I)-c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H11IN2OS/c1-16-11-4-2-8(6-10(11)15)14-17-12-5-3-9(18)7-13(12)19-14/h2-7,16,18H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Initial competitive binding studies using [3H]CG and synthetic Aβ(1-40) were conducted to determine if CG, ThS and ThT bound to the same site(s)...				US Patent US10137210 (2018) BindingDB Entry DOI: 10.7270/Q21C1ZXS
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM303164 (US10137210, Example 00024) Show SMILES CNc1ccc(cc1I)-c1nc2ccccc2s1 Show InChI InChI=1S/C14H11IN2S/c1-16-11-7-6-9(8-10(11)15)14-17-12-4-2-3-5-13(12)18-14/h2-8,16H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Initial competitive binding studies using [3H]CG and synthetic Aβ(1-40) were conducted to determine if CG, ThS and ThT bound to the same site(s)...				US Patent US10137210 (2018) BindingDB Entry DOI: 10.7270/Q21C1ZXS
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM303148 (US10137210, Example [N-methyl-11C]6-MeO-BTA-1) Show SMILES CNc1ccc(cc1)-c1nc2ccc(CO)cc2s1 Show InChI InChI=1S/C15H14N2OS/c1-16-12-5-3-11(4-6-12)15-17-13-7-2-10(9-18)8-14(13)19-15/h2-8,16,18H,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Initial competitive binding studies using [3H]CG and synthetic Aβ(1-40) were conducted to determine if CG, ThS and ThT bound to the same site(s)...				US Patent US10137210 (2018) BindingDB Entry DOI: 10.7270/Q21C1ZXS
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM303156 (US10137210, Example 00023) Show SMILES Nc1ccc(cc1I)-c1nc2ccccc2s1 Show InChI InChI=1S/C13H9IN2S/c14-9-7-8(5-6-10(9)15)13-16-11-3-1-2-4-12(11)17-13/h1-7H,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Initial competitive binding studies using [3H]CG and synthetic Aβ(1-40) were conducted to determine if CG, ThS and ThT bound to the same site(s)...				US Patent US10137210 (2018) BindingDB Entry DOI: 10.7270/Q21C1ZXS
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50109052 ((4-Benzothiazol-2-yl-phenyl)-methyl-amine | 4-(ben...) Show SMILES CNc1ccc(cc1)-c1nc2ccccc2s1 Show InChI InChI=1S/C14H12N2S/c1-15-11-8-6-10(7-9-11)14-16-12-4-2-3-5-13(12)17-14/h2-9,15H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Initial competitive binding studies using [3H]CG and synthetic Aβ(1-40) were conducted to determine if CG, ThS and ThT bound to the same site(s)...				US Patent US10137210 (2018) BindingDB Entry DOI: 10.7270/Q21C1ZXS
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM303165 (US10137210, Example 00025) Show SMILES Nc1ccc(cc1I)-c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C13H9IN2OS/c14-9-5-7(1-3-10(9)15)13-16-11-4-2-8(17)6-12(11)18-13/h1-6,17H,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Initial competitive binding studies using [3H]CG and synthetic Aβ(1-40) were conducted to determine if CG, ThS and ThT bound to the same site(s)...				US Patent US10137210 (2018) BindingDB Entry DOI: 10.7270/Q21C1ZXS
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50109051 (CHEMBL330529 | Methyl-[4-(6-methyl-benzothiazol-2-...) Show SMILES CNc1ccc(cc1)-c1nc2ccc(C)cc2s1 Show InChI InChI=1S/C15H14N2S/c1-10-3-8-13-14(9-10)18-15(17-13)11-4-6-12(16-2)7-5-11/h3-9,16H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Initial competitive binding studies using [3H]CG and synthetic Aβ(1-40) were conducted to determine if CG, ThS and ThT bound to the same site(s)...				US Patent US10137210 (2018) BindingDB Entry DOI: 10.7270/Q21C1ZXS
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50052701 (2-(4-Aminophenyl)-6-methoxybenzothiazole | 4-(6-Me...) Show SMILES COc1ccc2nc(sc2c1)-c1ccc(N)cc1 Show InChI InChI=1S/C14H12N2OS/c1-17-11-6-7-12-13(8-11)18-14(16-12)9-2-4-10(15)5-3-9/h2-8H,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Initial competitive binding studies using [3H]CG and synthetic Aβ(1-40) were conducted to determine if CG, ThS and ThT bound to the same site(s)...				US Patent US10137210 (2018) BindingDB Entry DOI: 10.7270/Q21C1ZXS
					More data for this Ligand-Target Pair