Compile Data Set for Download or QSAR

Found 224 hits of ec50 for UniProtKB: P05067   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM4078 (6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...) Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116840 BindingDB Entry DOI: 10.7270/Q2H70KVX
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116840 BindingDB Entry DOI: 10.7270/Q2H70KVX
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50595332 (CHEMBL5179584) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1-c1c(O)c(O)c(O)cc1C(O)=O |(2.01,.76,;2.01,-.78,;3.34,-1.55,;.67,-1.55,;.68,-3.09,;-.66,-3.86,;-.66,-5.4,;-2,-3.1,;-3.33,-3.87,;-1.99,-1.55,;-3.33,-.79,;-.66,-.78,;-.66,.76,;-2.01,1.52,;-3.34,.75,;-2.01,3.08,;-3.34,3.85,;-.67,3.85,;-.67,5.4,;.67,3.08,;.67,1.53,;2.16,1.93,;3.24,.84,;2.55,3.42,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116840 BindingDB Entry DOI: 10.7270/Q2H70KVX
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50242279 (6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-21-(3,...) Show SMILES O[C@@H]1[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@@H]1[C@@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O2 |r| Show InChI InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22-,23+,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.20	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116840 BindingDB Entry DOI: 10.7270/Q2H70KVX
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.20	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116840 BindingDB Entry DOI: 10.7270/Q2H70KVX
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein [672-713] (Homo sapiens (Human))	BDBM446555 (7-(2-Chloro-4-fluorophenyl)-N2-(3-fluoro-4-(4-meth...) Show SMILES CNc1nc(Nc2ccc(c(F)c2)-n2cnc(C)c2)nc2N(CC(C)(C)c12)c1ccc(F)cc1Cl Show InChI InChI=1S/C25H24ClF2N7/c1-14-11-34(13-30-14)20-8-6-16(10-18(20)28)31-24-32-22(29-4)21-23(33-24)35(12-25(21,2)3)19-7-5-15(27)9-17(19)26/h5-11,13H,12H2,1-4H3,(H2,29,31,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10669276 (2020) BindingDB Entry DOI: 10.7270/Q2BZ6928
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein [672-713] (Homo sapiens (Human))	BDBM50465355 (CHEMBL4285214 | US10669276, Example 1) Show SMILES CNc1nc(Nc2ccc(c(OC)c2)-n2cnc(C)n2)nc2N(CC(C)(C)c12)c1ccc(F)cc1 Show InChI InChI=1S/C25H27FN8O/c1-15-28-14-34(32-15)19-11-8-17(12-20(19)35-5)29-24-30-22(27-4)21-23(31-24)33(13-25(21,2)3)18-9-6-16(26)7-10-18/h6-12,14H,13H2,1-5H3,(H2,27,29,30,31)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10669276 (2020) BindingDB Entry DOI: 10.7270/Q2BZ6928
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein [672-713] (Homo sapiens (Human))	BDBM446501 (7-(4-Fluorophenyl)-N2-(5-methoxy-6-(4-methyl-1H-im...) Show SMILES CNc1nc(Nc2cnc(c(OC)c2)-n2cnc(C)c2)nc2N(CC(C)(C)c12)c1ccc(F)cc1 Show InChI InChI=1S/C25H27FN8O/c1-15-12-33(14-29-15)22-19(35-5)10-17(11-28-22)30-24-31-21(27-4)20-23(32-24)34(13-25(20,2)3)18-8-6-16(26)7-9-18/h6-12,14H,13H2,1-5H3,(H2,27,30,31,32)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10669276 (2020) BindingDB Entry DOI: 10.7270/Q2BZ6928
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein [672-713] (Homo sapiens (Human))	BDBM446556 ((S)- or (R)—N2-(3-Fluoro-4-(4-methyl-1H-imidazol-1...) Show SMILES C[C@@H]1CN(c2nc(Nc3ccc(c(F)c3)-n3cnc(C)c3)nc(Cl)c12)c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H19ClF2N6/c1-13-10-32(17-6-3-15(25)4-7-17)22-20(13)21(24)29-23(30-22)28-16-5-8-19(18(26)9-16)31-11-14(2)27-12-31/h3-9,11-13H,10H2,1-2H3,(H,28,29,30)/t13-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10669276 (2020) BindingDB Entry DOI: 10.7270/Q2BZ6928
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein [672-713] (Homo sapiens (Human))	BDBM446553 (7-(2,3-Difluorophenyl)-N2-(3-fluoro-4-(4-methyl-1H...) Show SMILES CNc1nc(Nc2ccc(c(F)c2)-n2cnc(C)c2)nc2N(CC(C)(C)c12)c1cccc(F)c1F Show InChI InChI=1S/C25H24F3N7/c1-14-11-34(13-30-14)18-9-8-15(10-17(18)27)31-24-32-22(29-4)20-23(33-24)35(12-25(20,2)3)19-7-5-6-16(26)21(19)28/h5-11,13H,12H2,1-4H3,(H2,29,31,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10669276 (2020) BindingDB Entry DOI: 10.7270/Q2BZ6928
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein [672-713] (Homo sapiens (Human))	BDBM446554 (7-(2,3-Difluorophenyl)-N2-(5-methoxy-6-(4-methyl-1...) Show SMILES CNc1nc(Nc2cnc(c(OC)c2)-n2cnc(C)c2)nc2N(CC(C)(C)c12)c1cccc(F)c1F Show InChI InChI=1S/C25H26F2N8O/c1-14-11-34(13-30-14)22-18(36-5)9-15(10-29-22)31-24-32-21(28-4)19-23(33-24)35(12-25(19,2)3)17-8-6-7-16(26)20(17)27/h6-11,13H,12H2,1-5H3,(H2,28,31,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10669276 (2020) BindingDB Entry DOI: 10.7270/Q2BZ6928
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein [672-713] (Homo sapiens (Human))	BDBM446518 (7-(3,4-Difluorophenyl)-N2-(3-methoxy-4-(3-methyl-1...) Show SMILES CNc1nc(Nc2ccc(c(OC)c2)-n2cnc(C)n2)nc2N(CC(C)(C)c12)c1ccc(F)c(F)c1 Show InChI InChI=1S/C25H26F2N8O/c1-14-29-13-35(33-14)19-9-6-15(10-20(19)36-5)30-24-31-22(28-4)21-23(32-24)34(12-25(21,2)3)16-7-8-17(26)18(27)11-16/h6-11,13H,12H2,1-5H3,(H2,28,30,31,32)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10669276 (2020) BindingDB Entry DOI: 10.7270/Q2BZ6928
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein [672-713] (Homo sapiens (Human))	BDBM446536 (7-(2,4-Difluorophenyl)-N2-(5-fluoro-6-(4-methyl-1H...) Show SMILES CNc1nc(Nc2cnc(c(F)c2)-n2cnc(C)c2)nc2N(CC(C)(C)c12)c1ccc(F)cc1F Show InChI InChI=1S/C24H23F3N8/c1-13-10-34(12-30-13)21-17(27)8-15(9-29-21)31-23-32-20(28-4)19-22(33-23)35(11-24(19,2)3)18-6-5-14(25)7-16(18)26/h5-10,12H,11H2,1-4H3,(H2,28,31,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10669276 (2020) BindingDB Entry DOI: 10.7270/Q2BZ6928
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein [672-713] (Homo sapiens (Human))	BDBM446539 (2-((7-(4-Fluorophenyl)-2-((5-methoxy-6-(4-methyl-1...) Show SMILES COc1cc(Nc2nc3N(CC(C)(C)c3c(NCCO)n2)c2ccc(F)cc2)cnc1-n1cnc(C)c1 Show InChI InChI=1S/C26H29FN8O2/c1-16-13-34(15-30-16)23-20(37-4)11-18(12-29-23)31-25-32-22(28-9-10-36)21-24(33-25)35(14-26(21,2)3)19-7-5-17(27)6-8-19/h5-8,11-13,15,36H,9-10,14H2,1-4H3,(H2,28,31,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10669276 (2020) BindingDB Entry DOI: 10.7270/Q2BZ6928
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein [672-713] (Homo sapiens (Human))	BDBM446543 (7-(4-Fluorophenyl)-N2-(5-methoxy-6-(4-methyl-1H-im...) Show SMILES COc1cc(Nc2nc3N(CCc3c(Cl)n2)c2ccc(F)cc2)cnc1-n1cnc(C)c1 Show InChI InChI=1S/C22H19ClFN7O/c1-13-11-30(12-26-13)21-18(32-2)9-15(10-25-21)27-22-28-19(23)17-7-8-31(20(17)29-22)16-5-3-14(24)4-6-16/h3-6,9-12H,7-8H2,1-2H3,(H,27,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10669276 (2020) BindingDB Entry DOI: 10.7270/Q2BZ6928
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein [672-713] (Homo sapiens (Human))	BDBM446548 (N2-(3-Fluoro-4-(4-methyl-1H-imidazol-1-yl)phenyl)-...) Show SMILES Cc1cn(cn1)-c1ccc(Nc2nc3N(CCc3c(Cl)n2)c2ccc(F)cc2)cc1F Show InChI InChI=1S/C22H17ClF2N6/c1-13-11-30(12-26-13)19-7-4-15(10-18(19)25)27-22-28-20(23)17-8-9-31(21(17)29-22)16-5-2-14(24)3-6-16/h2-7,10-12H,8-9H2,1H3,(H,27,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10669276 (2020) BindingDB Entry DOI: 10.7270/Q2BZ6928
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein [672-713] (Homo sapiens (Human))	BDBM446549 (7-(4-Fluorophenyl)-N2-(3-methoxy-4-(3-methyl-1H-1,...) Show SMILES COc1cc(Nc2nc3N(CC(C)c3c(Cl)n2)c2ccc(F)cc2)ccc1-n1cnc(C)n1 Show InChI InChI=1S/C23H21ClFN7O/c1-13-11-31(17-7-4-15(25)5-8-17)22-20(13)21(24)28-23(29-22)27-16-6-9-18(19(10-16)33-3)32-12-26-14(2)30-32/h4-10,12-13H,11H2,1-3H3,(H,27,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10669276 (2020) BindingDB Entry DOI: 10.7270/Q2BZ6928
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM4078 (6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...) Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116840 BindingDB Entry DOI: 10.7270/Q2H70KVX
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein [672-713] (Homo sapiens (Human))	BDBM446550 (7-(4-Fluorophenyl)-N2-(5-methoxy-6-(4-methyl-1H-im...) Show SMILES COc1cc(Nc2nc3N(CC(C)c3c(Cl)n2)c2ccc(F)cc2)cnc1-n1cnc(C)c1 Show InChI InChI=1S/C23H21ClFN7O/c1-13-10-32(17-6-4-15(25)5-7-17)22-19(13)20(24)29-23(30-22)28-16-8-18(33-3)21(26-9-16)31-11-14(2)27-12-31/h4-9,11-13H,10H2,1-3H3,(H,28,29,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10669276 (2020) BindingDB Entry DOI: 10.7270/Q2BZ6928
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM455363 (7-(2,3-Difluorophenyl)-N4,5,5-trimethyl-N2-((1R,5S...) Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cnnc(OC)c2)nc2N(CC(C)(C)c12)c1cccc(F)c1F |TLB:5:6:12.13.11:8.9,14:12:6:8.9| Show InChI InChI=1S/C27H32F2N8O/c1-27(2)14-37(19-7-5-6-18(28)22(19)29)25-21(27)24(30-3)33-26(34-25)32-23-15-8-9-16(23)13-36(12-15)17-10-20(38-4)35-31-11-17/h5-7,10-11,15-16,23H,8-9,12-14H2,1-4H3,(H2,30,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE, INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10730881 (2020) BindingDB Entry DOI: 10.7270/Q27M0C0J
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50242278 (CHEMBL506069 | Geraniin | geraniiin) Show SMILES Oc1cc(cc(O)c1O)C(=O)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]3[C@@H]2OC(=O)C2=CC(=O)[C@]4(O)Oc5c(O)c(O)cc(c5[C@H]2C4(O)O)C(=O)O[C@@H]13 |r,t:49,THB:43:45:61:52.59.51,48:47:61:52.59.51| Show InChI InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.70	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116840 BindingDB Entry DOI: 10.7270/Q2H70KVX
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50595332 (CHEMBL5179584) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1-c1c(O)c(O)c(O)cc1C(O)=O |(2.01,.76,;2.01,-.78,;3.34,-1.55,;.67,-1.55,;.68,-3.09,;-.66,-3.86,;-.66,-5.4,;-2,-3.1,;-3.33,-3.87,;-1.99,-1.55,;-3.33,-.79,;-.66,-.78,;-.66,.76,;-2.01,1.52,;-3.34,.75,;-2.01,3.08,;-3.34,3.85,;-.67,3.85,;-.67,5.4,;.67,3.08,;.67,1.53,;2.16,1.93,;3.24,.84,;2.55,3.42,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.70	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116840 BindingDB Entry DOI: 10.7270/Q2H70KVX
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein [672-713] (Homo sapiens (Human))	BDBM50465354 (CHEMBL4293045 | US10669276, Example 4) Show SMILES CNc1nc(Nc2ccc(c(OC)c2)-n2cnc(Cl)c2)nc2N(CC(C)(C)c12)c1ccc(F)cc1 Show InChI InChI=1S/C25H25ClFN7O/c1-25(2)13-34(17-8-5-15(27)6-9-17)23-21(25)22(28-3)31-24(32-23)30-16-7-10-18(19(11-16)35-4)33-12-20(26)29-14-33/h5-12,14H,13H2,1-4H3,(H2,28,30,31,32)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10669276 (2020) BindingDB Entry DOI: 10.7270/Q2BZ6928
					More data for this Ligand-Target Pair
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM476529 (N-((8 endo)-3-(3-methylisothiazol-5-yl)-3-azabicyc...) Show SMILES Cc1cc(sn1)N1C[C@@H]2CC[C@H](C1)[C@H]2Nc1nc2cccc(OCC(F)(F)F)n2n1 |r,TLB:14:13:6.7.12:10.9,3:6:13:10.9| Show InChI InChI=1S/C19H21F3N6OS/c1-11-7-16(30-26-11)27-8-12-5-6-13(9-27)17(12)24-18-23-14-3-2-4-15(28(14)25-18)29-10-19(20,21)22/h2-4,7,12-13,17H,5-6,8-10H2,1H3,(H,24,25)/t12-,13+,17-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10875854 (2020) BindingDB Entry DOI: 10.7270/Q28W3HCB
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein [672-713] (Homo sapiens (Human))	BDBM446557 ((R)— or (S)—N2-(3-Fluoro-4-(4-methyl-1H-imidazol-1...) Show SMILES C[C@H]1CN(c2nc(Nc3ccc(c(F)c3)-n3cnc(C)c3)nc(Cl)c12)c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H19ClF2N6/c1-13-10-32(17-6-3-15(25)4-7-17)22-20(13)21(24)29-23(30-22)28-16-5-8-19(18(26)9-16)31-11-14(2)27-12-31/h3-9,11-13H,10H2,1-2H3,(H,28,29,30)/t13-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10669276 (2020) BindingDB Entry DOI: 10.7270/Q2BZ6928
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein [672-713] (Homo sapiens (Human))	BDBM446485 (N2-(3-(Difluoromethoxy)-4-(3-methyl-1H-1,2,4-triaz...) Show SMILES CNc1nc(Nc2ccc(c(OC(F)F)c2)-n2cnc(C)n2)nc2N(CC(C)(C)c12)c1ccc(F)cc1 Show InChI InChI=1S/C25H25F3N8O/c1-14-30-13-36(34-14)18-10-7-16(11-19(18)37-23(27)28)31-24-32-21(29-4)20-22(33-24)35(12-25(20,2)3)17-8-5-15(26)6-9-17/h5-11,13,23H,12H2,1-4H3,(H2,29,31,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10669276 (2020) BindingDB Entry DOI: 10.7270/Q2BZ6928
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein [672-713] (Homo sapiens (Human))	BDBM446525 (7-(3,4-Difluorophenyl)-N2-(5-methoxy-6-(4-methyl-1...) Show SMILES CNc1nc(Nc2cnc(c(OC)c2)-n2cnc(C)c2)nc2N(CC(C)(C)c12)c1ccc(F)c(F)c1 Show InChI InChI=1S/C25H26F2N8O/c1-14-11-34(13-30-14)22-19(36-5)8-15(10-29-22)31-24-32-21(28-4)20-23(33-24)35(12-25(20,2)3)16-6-7-17(26)18(27)9-16/h6-11,13H,12H2,1-5H3,(H2,28,31,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10669276 (2020) BindingDB Entry DOI: 10.7270/Q2BZ6928
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein [672-713] (Homo sapiens (Human))	BDBM446529 (7-(2,4-Difluorophenyl)-N2-(3-methoxy-4-(3-methyl-1...) Show SMILES CNc1nc(Nc2ccc(c(OC)c2)-n2cnc(C)n2)nc2N(CC(C)(C)c12)c1ccc(F)cc1F Show InChI InChI=1S/C25H26F2N8O/c1-14-29-13-35(33-14)19-9-7-16(11-20(19)36-5)30-24-31-22(28-4)21-23(32-24)34(12-25(21,2)3)18-8-6-15(26)10-17(18)27/h6-11,13H,12H2,1-5H3,(H2,28,30,31,32)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10669276 (2020) BindingDB Entry DOI: 10.7270/Q2BZ6928
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein [672-713] (Homo sapiens (Human))	BDBM446530 (7-(2,4-Difluorophenyl)-N2-(5-methoxy-6-(4-methyl-1...) Show SMILES CNc1nc(Nc2cnc(c(OC)c2)-n2cnc(C)c2)nc2N(CC(C)(C)c12)c1ccc(F)cc1F Show InChI InChI=1S/C25H26F2N8O/c1-14-11-34(13-30-14)22-19(36-5)9-16(10-29-22)31-24-32-21(28-4)20-23(33-24)35(12-25(20,2)3)18-7-6-15(26)8-17(18)27/h6-11,13H,12H2,1-5H3,(H2,28,31,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10669276 (2020) BindingDB Entry DOI: 10.7270/Q2BZ6928
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein [672-713] (Homo sapiens (Human))	BDBM446533 (N2-(6-(4-Chloro-1H-imidazol-1-yl)-5-methoxypyridin...) Show SMILES CNc1nc(Nc2cnc(c(OC)c2)-n2cnc(Cl)c2)nc2N(CC(C)(C)c12)c1ccc(F)cc1F Show InChI InChI=1S/C24H23ClF2N8O/c1-24(2)11-35(16-6-5-13(26)7-15(16)27)22-19(24)20(28-3)32-23(33-22)31-14-8-17(36-4)21(29-9-14)34-10-18(25)30-12-34/h5-10,12H,11H2,1-4H3,(H2,28,31,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10669276 (2020) BindingDB Entry DOI: 10.7270/Q2BZ6928
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein [672-713] (Homo sapiens (Human))	BDBM50465357 (CHEMBL4283902 | US10669276, Example 25) Show SMILES CNc1nc(Nc2cnc(c(F)c2)-n2cnc(C)c2)nc2N(CC(C)(C)c12)c1ccc(F)cc1 Show InChI InChI=1S/C24H24F2N8/c1-14-11-33(13-29-14)21-18(26)9-16(10-28-21)30-23-31-20(27-4)19-22(32-23)34(12-24(19,2)3)17-7-5-15(25)6-8-17/h5-11,13H,12H2,1-4H3,(H2,27,30,31,32)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10669276 (2020) BindingDB Entry DOI: 10.7270/Q2BZ6928
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein [672-713] (Homo sapiens (Human))	BDBM50465360 (CHEMBL4294948 | US10669276, Example 28) Show SMILES COc1cc(Nc2nc3N(CC(C)(C)c3c(NCCO)n2)c2ccc(F)cc2)ccc1-n1cnc(C)n1 Show InChI InChI=1S/C26H29FN8O2/c1-16-29-15-35(33-16)20-10-7-18(13-21(20)37-4)30-25-31-23(28-11-12-36)22-24(32-25)34(14-26(22,2)3)19-8-5-17(27)6-9-19/h5-10,13,15,36H,11-12,14H2,1-4H3,(H2,28,30,31,32)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10669276 (2020) BindingDB Entry DOI: 10.7270/Q2BZ6928
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein [672-713] (Homo sapiens (Human))	BDBM446544 (N2-(3-Fluoro-4-(4-methyl-1H-imidazol-1-yl)phenyl)-...) Show SMILES CNc1nc(Nc2ccc(c(F)c2)-n2cnc(C)c2)nc2N(CC(C)(C)c12)c1ccc(F)cc1 Show InChI InChI=1S/C25H25F2N7/c1-15-12-33(14-29-15)20-10-7-17(11-19(20)27)30-24-31-22(28-4)21-23(32-24)34(13-25(21,2)3)18-8-5-16(26)6-9-18/h5-12,14H,13H2,1-4H3,(H2,28,30,31,32)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10669276 (2020) BindingDB Entry DOI: 10.7270/Q2BZ6928
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein [672-713] (Homo sapiens (Human))	BDBM446547 (N2-(3-Fluoro-4-(4-methyl-1H-imidazol-1-yl)phenyl)-...) Show SMILES CNc1nc(Nc2ccc(c(F)c2)-n2cnc(C)c2)nc2N(CCC(C)(C)c12)c1ccc(F)cc1 Show InChI InChI=1S/C26H27F2N7/c1-16-14-34(15-30-16)21-10-7-18(13-20(21)28)31-25-32-23(29-4)22-24(33-25)35(12-11-26(22,2)3)19-8-5-17(27)6-9-19/h5-10,13-15H,11-12H2,1-4H3,(H2,29,31,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10669276 (2020) BindingDB Entry DOI: 10.7270/Q2BZ6928
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein [672-713] (Homo sapiens (Human))	BDBM446552 (7-(2,3-Difluorophenyl)-N2-(5-fluoro-6-(4-methyl-1H...) Show SMILES CNc1nc(Nc2cnc(c(F)c2)-n2cnc(C)c2)nc2N(CC(C)(C)c12)c1cccc(F)c1F Show InChI InChI=1S/C24H23F3N8/c1-13-10-34(12-30-13)21-16(26)8-14(9-29-21)31-23-32-20(28-4)18-22(33-23)35(11-24(18,2)3)17-7-5-6-15(25)19(17)27/h5-10,12H,11H2,1-4H3,(H2,28,31,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10669276 (2020) BindingDB Entry DOI: 10.7270/Q2BZ6928
					More data for this Ligand-Target Pair
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM50502721 (CHEMBL4435639 | US11440915, Example 9) Show SMILES Cc1cn(cn1)C12CC(C1)(C2)Nc1nc2[C@H](CCCCn2n1)c1cc(F)cc(Cl)c1 |r| Show InChI InChI=1S/C22H24ClFN6/c1-14-9-29(13-25-14)22-10-21(11-22,12-22)27-20-26-19-18(4-2-3-5-30(19)28-20)15-6-16(23)8-17(24)7-15/h6-9,13,18H,2-5,10-12H2,1H3,(H,27,28)/t18-,21?,22?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a
TBA					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				Citation and Details BindingDB Entry DOI: 10.7270/Q2251NF1
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50242279 (6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-21-(3,...) Show SMILES O[C@@H]1[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@@H]1[C@@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O2 |r| Show InChI InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22-,23+,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	8.90	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116840 BindingDB Entry DOI: 10.7270/Q2H70KVX
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein [672-713] (Homo sapiens (Human))	BDBM446491 (N2-(6-(4-Chloro-1H-imidazol-1-yl)-5-methoxypyridin...) Show SMILES CNc1nc(Nc2cnc(c(OC)c2)-n2cnc(Cl)c2)nc2N(CC(C)(C)c12)c1ccc(F)cc1 Show InChI InChI=1S/C24H24ClFN8O/c1-24(2)12-34(16-7-5-14(26)6-8-16)22-19(24)20(27-3)31-23(32-22)30-15-9-17(35-4)21(28-10-15)33-11-18(25)29-13-33/h5-11,13H,12H2,1-4H3,(H2,27,30,31,32)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10669276 (2020) BindingDB Entry DOI: 10.7270/Q2BZ6928
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein [672-713] (Homo sapiens (Human))	BDBM446551 (7-(2,3-Difluorophenyl)-N2-(3-methoxy-4-(3-methyl-1...) Show SMILES CNc1nc(Nc2ccc(c(OC)c2)-n2cnc(C)n2)nc2N(CC(C)(C)c12)c1cccc(F)c1F Show InChI InChI=1S/C25H26F2N8O/c1-14-29-13-35(33-14)17-10-9-15(11-19(17)36-5)30-24-31-22(28-4)20-23(32-24)34(12-25(20,2)3)18-8-6-7-16(26)21(18)27/h6-11,13H,12H2,1-5H3,(H2,28,30,31,32)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10669276 (2020) BindingDB Entry DOI: 10.7270/Q2BZ6928
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM455353 (7-(2,4-Difluorophenyl)-N2-((1R,5S,8s)-3-(6-methoxy...) Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cnnc(OC)c2)nc2N(CC(C)(C)c12)c1ccc(F)cc1F |TLB:14:12:6:8.9,5:6:12.11.13:8.9| Show InChI InChI=1S/C27H32F2N8O/c1-27(2)14-37(20-8-7-17(28)9-19(20)29)25-22(27)24(30-3)33-26(34-25)32-23-15-5-6-16(23)13-36(12-15)18-10-21(38-4)35-31-11-18/h7-11,15-16,23H,5-6,12-14H2,1-4H3,(H2,30,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE, INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10730881 (2020) BindingDB Entry DOI: 10.7270/Q27M0C0J
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM455355 (2-((7-(4-Fluorophenyl)-2-(((1R,5S,8s)-3-(6-methoxy...) Show SMILES COc1cc(cnn1)N1CC2CCC(C1)C2Nc1nc2N(CC(C)(C)c2c(NCCO)n1)c1ccc(F)cc1 |TLB:16:15:8.14.9:11.12,THB:4:8:15:11.12| Show InChI InChI=1S/C28H35FN8O2/c1-28(2)16-37(20-8-6-19(29)7-9-20)26-23(28)25(30-10-11-38)33-27(34-26)32-24-17-4-5-18(24)15-36(14-17)21-12-22(39-3)35-31-13-21/h6-9,12-13,17-18,24,38H,4-5,10-11,14-16H2,1-3H3,(H2,30,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE, INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10730881 (2020) BindingDB Entry DOI: 10.7270/Q27M0C0J
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM455358 (7-(2,3-Difluorophenyl)-N4,5,5-trimethyl-N2-((1R,5S...) Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cc(C)ncn2)nc2N(CC(C)(C)c12)c1cccc(F)c1F |TLB:5:6:12.11.13:8.9,14:12:6:8.9| Show InChI InChI=1S/C27H32F2N8/c1-15-10-20(32-14-31-15)36-11-16-8-9-17(12-36)23(16)33-26-34-24(30-4)21-25(35-26)37(13-27(21,2)3)19-7-5-6-18(28)22(19)29/h5-7,10,14,16-17,23H,8-9,11-13H2,1-4H3,(H2,30,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE, INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10730881 (2020) BindingDB Entry DOI: 10.7270/Q27M0C0J
					More data for this Ligand-Target Pair
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM476532 (N-((8 endo)-3-(2-chloropyridin-4-yl)-3-azabicyclo[...) Show SMILES Cc1ccc(OCC(F)(F)F)n2nc(N[C@H]3[C@H]4CC[C@@H]3CN(C4)c3ccnc(Cl)c3)nc12 |r,TLB:14:15:21.22.20:18.17,THB:23:21:15:18.17| Show InChI InChI=1S/C21H22ClF3N6O/c1-12-2-5-17(32-11-21(23,24)25)31-19(12)28-20(29-31)27-18-13-3-4-14(18)10-30(9-13)15-6-7-26-16(22)8-15/h2,5-8,13-14,18H,3-4,9-11H2,1H3,(H,27,29)/t13-,14+,18-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9.20	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10875854 (2020) BindingDB Entry DOI: 10.7270/Q28W3HCB
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein [672-713] (Homo sapiens (Human))	BDBM446524 (N2-(6-(4-Chloro-1H-imidazol-1-yl)-5-methoxypyridin...) Show SMILES CNc1nc(Nc2cnc(c(OC)c2)-n2cnc(Cl)c2)nc2N(CC(C)(C)c12)c1ccc(F)c(F)c1 Show InChI InChI=1S/C24H23ClF2N8O/c1-24(2)11-35(14-5-6-15(26)16(27)8-14)22-19(24)20(28-3)32-23(33-22)31-13-7-17(36-4)21(29-9-13)34-10-18(25)30-12-34/h5-10,12H,11H2,1-4H3,(H2,28,31,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10669276 (2020) BindingDB Entry DOI: 10.7270/Q2BZ6928
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein [672-713] (Homo sapiens (Human))	BDBM446542 (7-(4-Fluorophenyl)-N2-(3-methoxy-4-(3-methyl-1H-1,...) Show SMILES COc1cc(Nc2nc3N(CCc3c(Cl)n2)c2ccc(F)cc2)ccc1-n1cnc(C)n1 Show InChI InChI=1S/C22H19ClFN7O/c1-13-25-12-31(29-13)18-8-5-15(11-19(18)32-2)26-22-27-20(23)17-9-10-30(21(17)28-22)16-6-3-14(24)4-7-16/h3-8,11-12H,9-10H2,1-2H3,(H,26,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10669276 (2020) BindingDB Entry DOI: 10.7270/Q2BZ6928
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50242278 (CHEMBL506069 | Geraniin | geraniiin) Show SMILES Oc1cc(cc(O)c1O)C(=O)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]3[C@@H]2OC(=O)C2=CC(=O)[C@]4(O)Oc5c(O)c(O)cc(c5[C@H]2C4(O)O)C(=O)O[C@@H]13 |r,t:49,THB:43:45:61:52.59.51,48:47:61:52.59.51| Show InChI InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116840 BindingDB Entry DOI: 10.7270/Q2H70KVX
					More data for this Ligand-Target Pair
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM571405 ((9R)-N-[3-(4-methylimidazol-1-yl)-1-bicyclo[1.1.1]...) Show SMILES Cc1cn(cn1)C12CC(C1)(C2)Nc1nc2[C@@H](CCCCn2n1)c1ccc(F)c(F)c1F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
TBA					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				Citation and Details BindingDB Entry DOI: 10.7270/Q2251NF1
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM455364 (7-(2,3-Difluorophenyl)-N4,5,5-trimethyl-N2-((1R,5S...) Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2ccnc(OC)c2)nc2N(CC(C)(C)c12)c1cccc(F)c1F |TLB:5:6:12.13.11:8.9,14:12:6:8.9| Show InChI InChI=1S/C28H33F2N7O/c1-28(2)15-37(20-7-5-6-19(29)23(20)30)26-22(28)25(31-3)34-27(35-26)33-24-16-8-9-17(24)14-36(13-16)18-10-11-32-21(12-18)38-4/h5-7,10-12,16-17,24H,8-9,13-15H2,1-4H3,(H2,31,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE, INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10730881 (2020) BindingDB Entry DOI: 10.7270/Q27M0C0J
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein [672-713] (Homo sapiens (Human))	BDBM446540 (2-((2-((6-(4-Chloro-1H-imidazol-1-yl)-5-methoxypyr...) Show SMILES COc1cc(Nc2nc3N(CC(C)(C)c3c(NCCO)n2)c2ccc(F)cc2)cnc1-n1cnc(Cl)c1 Show InChI InChI=1S/C25H26ClFN8O2/c1-25(2)13-35(17-6-4-15(27)5-7-17)23-20(25)21(28-8-9-36)32-24(33-23)31-16-10-18(37-3)22(29-11-16)34-12-19(26)30-14-34/h4-7,10-12,14,36H,8-9,13H2,1-3H3,(H2,28,31,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10669276 (2020) BindingDB Entry DOI: 10.7270/Q2BZ6928
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM455341 (N2-((1R,5S,8s)-3-(6-Chloropyridazin-4-yl)-3-azabic...) Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cnnc(Cl)c2)nc2N(CC(C)(C)c12)c1ccc(F)cc1 |TLB:5:6:8.9:13.11.12,14:12:6:8.9| Show InChI InChI=1S/C26H30ClFN8/c1-26(2)14-36(18-8-6-17(28)7-9-18)24-21(26)23(29-3)32-25(33-24)31-22-15-4-5-16(22)13-35(12-15)19-10-20(27)34-30-11-19/h6-11,15-16,22H,4-5,12-14H2,1-3H3,(H2,29,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE, INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10730881 (2020) BindingDB Entry DOI: 10.7270/Q27M0C0J
					More data for this Ligand-Target Pair

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