Compile Data Set for Download or QSAR

Found 116 hits of ec50 data for polymerid = 3579   

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))	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 (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 (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))	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 (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))	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 (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))	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
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))	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 (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
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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM455344 (7-(4-Fluorophenyl)-N4-methyl-N2-((1R,5S,8s)-3-(6-m...) Show SMILES Cc1cc(ncn1)N1CC2CCC(C1)C2Nc1nc2N(CCc2c(Cl)n1)c1ccc(F)cc1 |TLB:15:14:10.11:8.13.7,THB:3:7:14:10.11| Show InChI InChI=1S/C24H25ClFN7/c1-14-10-20(28-13-27-14)32-11-15-2-3-16(12-32)21(15)29-24-30-22(25)19-8-9-33(23(19)31-24)18-6-4-17(26)5-7-18/h4-7,10,13,15-16,21H,2-3,8-9,11-12H2,1H3,(H,29,30,31)	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	12	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))	BDBM455354 (2-((7-(4-Fluorophenyl)-5,5-dimethyl-2-(((1R,5S,8s)...) Show SMILES Cc1cc(ncn1)N1CC2CCC(C1)C2Nc1nc2N(CC(C)(C)c2c(NCCO)n1)c1ccc(F)cc1 |TLB:15:14:7.13.8:10.11,THB:3:7:14:10.11| Show InChI InChI=1S/C28H35FN8O/c1-17-12-22(32-16-31-17)36-13-18-4-5-19(14-36)24(18)33-27-34-25(30-10-11-38)23-26(35-27)37(15-28(23,2)3)21-8-6-20(29)7-9-21/h6-9,12,16,18-19,24,38H,4-5,10-11,13-15H2,1-3H3,(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	12	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))	BDBM455336 (7-(4-Fluorophenyl)-N2-((1R,5S,8s)-3-(6-methoxypyri...) Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cnnc(OC)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/C27H33FN8O/c1-27(2)15-36(19-9-7-18(28)8-10-19)25-22(27)24(29-3)32-26(33-25)31-23-16-5-6-17(23)14-35(13-16)20-11-21(37-4)34-30-12-20/h7-12,16-17,23H,5-6,13-15H2,1-4H3,(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	12	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))	BDBM455349 (7-(2,4-Difluorophenyl)-N4,5,5-trimethyl-N2-((1R,5S...) Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cc(C)ncn2)nc2N(CC(C)(C)c12)c1ccc(F)cc1F |TLB:5:6:12.11.13:8.9,14:12:6:8.9| Show InChI InChI=1S/C27H32F2N8/c1-15-9-21(32-14-31-15)36-11-16-5-6-17(12-36)23(16)33-26-34-24(30-4)22-25(35-26)37(13-27(22,2)3)20-8-7-18(28)10-19(20)29/h7-10,14,16-17,23H,5-6,11-13H2,1-4H3,(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	14	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))	BDBM455334 (7-(4-Fluorophenyl)-N4,5,5-trimethyl-N2-((1R,5S,8s)...) Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cc(C)ncn2)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/C27H33FN8/c1-16-11-21(31-15-30-16)35-12-17-5-6-18(13-35)23(17)32-26-33-24(29-4)22-25(34-26)36(14-27(22,2)3)20-9-7-19(28)8-10-20/h7-11,15,17-18,23H,5-6,12-14H2,1-4H3,(H2,29,32,33,34)	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	14	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))	BDBM455359 ((S)- or (R)-7-(4-Fluorophenyl)-N4,5-dimethyl-N2-((...) Show SMILES C[C@@H]1CN(c2nc(NC3C4CCC3CN(C4)c3cc(C)ncn3)nc(Cl)c12)c1ccc(F)cc1 |r,TLB:16:14:8:10.11,7:8:14.13.15:10.11| Show InChI InChI=1S/C25H27ClFN7/c1-14-10-34(19-7-5-18(27)6-8-19)24-21(14)23(26)31-25(32-24)30-22-16-3-4-17(22)12-33(11-16)20-9-15(2)28-13-29-20/h5-9,13-14,16-17,22H,3-4,10-12H2,1-2H3,(H,30,31,32)/t14-,16?,17?,22?/m1/s1	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	16	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))	BDBM455345 (7-(3,4-Difluorophenyl)-N2-((1R,5S,8s)-3-(6-methoxy...) Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cnnc(OC)c2)nc2N(CC(C)(C)c12)c1ccc(F)c(F)c1 |TLB:5:6:8.9:13.11.12,14:12:6:8.9| Show InChI InChI=1S/C27H32F2N8O/c1-27(2)14-37(17-7-8-19(28)20(29)9-17)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	16	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))	BDBM455360 ((R)- or (S)-7-(4-Fluorophenyl)-N4,5-dimethyl-N2-((...) Show SMILES C[C@H]1CN(c2nc(NC3C4CCC3CN(C4)c3cc(C)ncn3)nc(Cl)c12)c1ccc(F)cc1 |r,TLB:16:14:8:10.11,7:8:14.13.15:10.11| Show InChI InChI=1S/C25H27ClFN7/c1-14-10-34(19-7-5-18(27)6-8-19)24-21(14)23(26)31-25(32-24)30-22-16-3-4-17(22)12-33(11-16)20-9-15(2)28-13-29-20/h5-9,13-14,16-17,22H,3-4,10-12H2,1-2H3,(H,30,31,32)/t14-,16?,17?,22?/m0/s1	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	17	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))	BDBM455346 (7-(4-Fluorophenyl)-N4,5,5-trimethyl-N2-((1R,5S,8s)...) Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2ccnnc2)nc2N(CC(C)(C)c12)c1ccc(F)cc1 |TLB:5:6:12.11.13:8.9,14:12:6:8.9| Show InChI InChI=1S/C26H31FN8/c1-26(2)15-35(19-8-6-18(27)7-9-19)24-21(26)23(28-3)32-25(33-24)31-22-16-4-5-17(22)14-34(13-16)20-10-11-29-30-12-20/h6-12,16-17,22H,4-5,13-15H2,1-3H3,(H2,28,31,32,33)	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	19	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))	BDBM455337 (7-(4-Fluorophenyl)-N2-((1R,5S,8s)-3-(2-methoxypyri...) Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2ccnc(OC)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/C28H34FN7O/c1-28(2)16-36(20-9-7-19(29)8-10-20)26-23(28)25(30-3)33-27(34-26)32-24-17-5-6-18(24)15-35(14-17)21-11-12-31-22(13-21)37-4/h7-13,17-18,24H,5-6,14-16H2,1-4H3,(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	23	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))	BDBM455343 (7-(3,4-Difluorophenyl)-N4,5,5-trimethyl-N2-((1R,5S...) Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cc(C)ncn2)nc2N(CC(C)(C)c12)c1ccc(F)c(F)c1 |TLB:5:6:8.9:13.11.12,14:12:6:8.9| Show InChI InChI=1S/C27H32F2N8/c1-15-9-21(32-14-31-15)36-11-16-5-6-17(12-36)23(16)33-26-34-24(30-4)22-25(35-26)37(13-27(22,2)3)18-7-8-19(28)20(29)10-18/h7-10,14,16-17,23H,5-6,11-13H2,1-4H3,(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	24	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))	BDBM455357 (8-(4-Fluorophenyl)-N2-((1R,5S,8s)-3-(6-methoxypyri...) Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cnnc(OC)c2)nc2N(CCC(C)(C)c12)c1ccc(F)cc1 |TLB:14:12:6:8.9,5:6:12.11.13:8.9| Show InChI InChI=1S/C28H35FN8O/c1-28(2)11-12-37(20-9-7-19(29)8-10-20)26-23(28)25(30-3)33-27(34-26)32-24-17-5-6-18(24)16-36(15-17)21-13-22(38-4)35-31-14-21/h7-10,13-14,17-18,24H,5-6,11-12,15-16H2,1-4H3,(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	24	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))	BDBM455338 (N2-((1R,5S,8s)-3-(6-Chloropyrimidin-4-yl)-3-azabic...) Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cc(Cl)ncn2)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)13-36(18-8-6-17(28)7-9-18)24-21(26)23(29-3)33-25(34-24)32-22-15-4-5-16(22)12-35(11-15)20-10-19(27)30-14-31-20/h6-10,14-16,22H,4-5,11-13H2,1-3H3,(H2,29,32,33,34)	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	31	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))	BDBM455350 (7-(2,4-Difluorophenyl)-N4,5,5-trimethyl-N2-((1R,5S...) Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2nnc(C)o2)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/C25H30F2N8O/c1-13-32-33-24(36-13)34-10-14-5-6-15(11-34)20(14)29-23-30-21(28-4)19-22(31-23)35(12-25(19,2)3)18-8-7-16(26)9-17(18)27/h7-9,14-15,20H,5-6,10-12H2,1-4H3,(H2,28,29,30,31)	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	31	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))	BDBM455342 (7-(3,4-Difluorophenyl)-N4,5,5-trimethyl-N2-((1R,5S...) Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2nnc(C)o2)nc2N(CC(C)(C)c12)c1ccc(F)c(F)c1 |TLB:5:6:8.9:13.11.12,14:12:6:8.9| Show InChI InChI=1S/C25H30F2N8O/c1-13-32-33-24(36-13)34-10-14-5-6-15(11-34)20(14)29-23-30-21(28-4)19-22(31-23)35(12-25(19,2)3)16-7-8-17(26)18(27)9-16/h7-9,14-15,20H,5-6,10-12H2,1-4H3,(H2,28,29,30,31)	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	33	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))	BDBM455335 (7-(4-Fluorophenyl)-N4,5,5-trimethyl-N2-((1R,5S,8s)...) Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2nnc(C)o2)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/C25H31FN8O/c1-14-31-32-24(35-14)33-11-15-5-6-16(12-33)20(15)28-23-29-21(27-4)19-22(30-23)34(13-25(19,2)3)18-9-7-17(26)8-10-18/h7-10,15-16,20H,5-6,11-13H2,1-4H3,(H2,27,28,29,30)	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	34	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))	BDBM455356 (8-(4-Fluorophenyl)-N4,5,5-trimethyl-N2-((1R,5S,8s)...) Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cc(C)ncn2)nc2N(CCC(C)(C)c12)c1ccc(F)cc1 |TLB:14:12:6:8.9,5:6:12.11.13:8.9| Show InChI InChI=1S/C28H35FN8/c1-17-13-22(32-16-31-17)36-14-18-5-6-19(15-36)24(18)33-27-34-25(30-4)23-26(35-27)37(12-11-28(23,2)3)21-9-7-20(29)8-10-21/h7-10,13,16,18-19,24H,5-6,11-12,14-15H2,1-4H3,(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	35	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))	BDBM50236004 (CHEMBL4101809) Show SMILES COc1nc(ccc1-n1cnc(C)c1)C1=NOC[C@@H](N1)c1cc2ccccc2o1 |r,t:16| Show InChI InChI=1S/C21H19N5O3/c1-13-10-26(12-22-13)17-8-7-15(24-21(17)27-2)20-23-16(11-28-25-20)19-9-14-5-3-4-6-18(14)29-19/h3-10,12,16H,11H2,1-2H3,(H,23,25)/t16-/m1/s1	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	n/a	n/a	35	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114169 BindingDB Entry DOI: 10.7270/Q2HD80PD
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM455347 (7-(3,3-Difluorocyclobutyl)-N4,5,5-trimethyl-N2-((1...) Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cnnc(C)c2)nc2N(CC(C)(C)c12)C1CC(F)(F)C1 |TLB:14:12:6:8.9,5:6:12.11.13:8.9| Show InChI InChI=1S/C25H34F2N8/c1-14-7-17(10-29-33-14)34-11-15-5-6-16(12-34)20(15)30-23-31-21(28-4)19-22(32-23)35(13-24(19,2)3)18-8-25(26,27)9-18/h7,10,15-16,18,20H,5-6,8-9,11-13H2,1-4H3,(H2,28,30,31,32)	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	36	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))	BDBM455339 (7-(4-Fluorophenyl)-N2-((1R,5S,8s)-3-(6-methoxypyri...) Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cc(OC)ncn2)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/C27H33FN8O/c1-27(2)14-36(19-9-7-18(28)8-10-19)25-22(27)24(29-3)33-26(34-25)32-23-16-5-6-17(23)13-35(12-16)20-11-21(37-4)31-15-30-20/h7-11,15-17,23H,5-6,12-14H2,1-4H3,(H2,29,32,33,34)	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	46	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))	BDBM455352 (N2-((1R,5S,8s)-3-(6-Methoxypyridazin-4-yl)-3-azabi...) Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cnnc(OC)c2)nc2N(CC(C)(C)c12)C12CC(C1)(C2)C(F)(F)F |TLB:14:12:6:8.9,5:6:12.11.13:8.9| Show InChI InChI=1S/C27H35F3N8O/c1-24(2)14-38(26-11-25(12-26,13-26)27(28,29)30)22-19(24)21(31-3)34-23(35-22)33-20-15-5-6-16(20)10-37(9-15)17-7-18(39-4)36-32-8-17/h7-8,15-16,20H,5-6,9-14H2,1-4H3,(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	53	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))	BDBM28960 ((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...) Show SMILES CCCNC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H24Cl2N2O5S/c1-3-10-23-20(26)29-13-14(2)24(19-11-17(22)5-4-15(19)12-25)30(27,28)18-8-6-16(21)7-9-18/h4-9,11,14,25H,3,10,12-13H2,1-2H3,(H,23,26)/t14-/m1/s1	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	n/a	n/a	100	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro effective concentration against beta amyloid protein 40 in ELISA				Bioorg Med Chem Lett 15: 1891-4 (2005) Article DOI: 10.1016/j.bmcl.2005.02.006 BindingDB Entry DOI: 10.7270/Q2N879B4
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM455348 (7-(3,3-Difluorocyclobutyl)-N4,5,5-trimethyl-N2-((1...) Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2nnc(C)o2)nc2N(CC(C)(C)c12)C1CC(F)(F)C1 |TLB:5:6:12.11.13:8.9,14:12:6:8.9| Show InChI InChI=1S/C23H32F2N8O/c1-12-30-31-21(34-12)32-9-13-5-6-14(10-32)17(13)27-20-28-18(26-4)16-19(29-20)33(11-22(16,2)3)15-7-23(24,25)8-15/h13-15,17H,5-11H2,1-4H3,(H2,26,27,28,29)	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	104	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))	BDBM455351 (N4,5,5-Trimethyl-N2-((1R,5S,8s)-3-(6-methylpyrimid...) Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cc(C)ncn2)nc2N(CC(C)(C)c12)C12CC(C1)(C2)C(F)(F)F |TLB:14:12:6:8.9,5:6:12.11.13:8.9| Show InChI InChI=1S/C27H35F3N8/c1-15-7-18(33-14-32-15)37-8-16-5-6-17(9-37)20(16)34-23-35-21(31-4)19-22(36-23)38(13-24(19,2)3)26-10-25(11-26,12-26)27(28,29)30/h7,14,16-17,20H,5-6,8-13H2,1-4H3,(H2,31,34,35,36)	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	111	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))	BDBM50305469 (CHEMBL590830 | N-(3-(2-amino-4-cyclohexyl-1-methyl...) Show SMILES CN1C(N)=NC(C2CCCCC2)(C1=O)c1cccc(NC(=O)c2occc2C)c1 |c:3| Show InChI InChI=1S/C22H26N4O3/c1-14-11-12-29-18(14)19(27)24-17-10-6-9-16(13-17)22(15-7-4-3-5-8-15)20(28)26(2)21(23)25-22/h6,9-13,15H,3-5,7-8H2,1-2H3,(H2,23,25)(H,24,27)	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	n/a	n/a	180	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant APP expressed in CHO-K1 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 20: 632-5 (2010) Article DOI: 10.1016/j.bmcl.2009.11.052 BindingDB Entry DOI: 10.7270/Q20Z73BN
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50314993 (2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pyrimidin-...) Show SMILES Nc1nc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)ccc1NCCO Show InChI InChI=1S/C28H25ClN6O2/c29-24-4-2-1-3-23(24)27-12-11-26(19-5-8-21(9-6-19)37-22-15-31-18-32-16-22)35(27)17-20-7-10-25(28(30)34-20)33-13-14-36/h1-12,15-16,18,33,36H,13-14,17H2,(H2,30,34)	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	n/a	n/a	190	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA				Bioorg Med Chem Lett 20: 2068-73 (2010) Article DOI: 10.1016/j.bmcl.2010.02.075 BindingDB Entry DOI: 10.7270/Q2PG1RWS
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50314994 (2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pyrimidin-...) Show SMILES Nc1nc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)ccc1OCCO Show InChI InChI=1S/C28H24ClN5O3/c29-24-4-2-1-3-23(24)26-11-10-25(19-5-8-21(9-6-19)37-22-15-31-18-32-16-22)34(26)17-20-7-12-27(28(30)33-20)36-14-13-35/h1-12,15-16,18,35H,13-14,17H2,(H2,30,33)	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	n/a	n/a	440	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA				Bioorg Med Chem Lett 20: 2068-73 (2010) Article DOI: 10.1016/j.bmcl.2010.02.075 BindingDB Entry DOI: 10.7270/Q2PG1RWS
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50163996 (4-(4-Chloro-benzenesulfonyl)-4-(2-methoxy-phenyl)-...) Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H24ClNO5S/c1-3-28-20(24)23-14-12-21(13-15-23,18-6-4-5-7-19(18)27-2)29(25,26)17-10-8-16(22)9-11-17/h4-11H,3,12-15H2,1-2H3	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	n/a	n/a	530	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro reduction of Swedish NL mutant amyloid precursor protein activity expressed in CHO cells				Bioorg Med Chem Lett 15: 1891-4 (2005) Article DOI: 10.1016/j.bmcl.2005.02.006 BindingDB Entry DOI: 10.7270/Q2N879B4
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50163996 (4-(4-Chloro-benzenesulfonyl)-4-(2-methoxy-phenyl)-...) Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H24ClNO5S/c1-3-28-20(24)23-14-12-21(13-15-23,18-6-4-5-7-19(18)27-2)29(25,26)17-10-8-16(22)9-11-17/h4-11H,3,12-15H2,1-2H3	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	n/a	n/a	640	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro elevation of beta C-terminal fragment (Ct-99) in CHO cells expressing mutant Swedish NL human APP				Bioorg Med Chem Lett 15: 1891-4 (2005) Article DOI: 10.1016/j.bmcl.2005.02.006 BindingDB Entry DOI: 10.7270/Q2N879B4
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50305467 (2-amino-4-cyclohexyl-1-methyl-4-phenyl-1H-imidazol...) Show SMILES CN1C(N)=NC(C2CCCCC2)(C1=O)c1ccccc1 |c:3| Show InChI InChI=1S/C16H21N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3,(H2,17,18)	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	n/a	n/a	810	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant APP expressed in CHO-K1 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 20: 632-5 (2010) Article DOI: 10.1016/j.bmcl.2009.11.052 BindingDB Entry DOI: 10.7270/Q20Z73BN
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50163996 (4-(4-Chloro-benzenesulfonyl)-4-(2-methoxy-phenyl)-...) Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H24ClNO5S/c1-3-28-20(24)23-14-12-21(13-15-23,18-6-4-5-7-19(18)27-2)29(25,26)17-10-8-16(22)9-11-17/h4-11H,3,12-15H2,1-2H3	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	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibition of amyloid precursor protein 695 activity in CHO cells expressing human APP				Bioorg Med Chem Lett 15: 1891-4 (2005) Article DOI: 10.1016/j.bmcl.2005.02.006 BindingDB Entry DOI: 10.7270/Q2N879B4
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50305483 (2-amino-4,4-dicyclohexyl-1-methyl-1H-imidazol-5(4H...) Show SMILES CN1C(N)=NC(C2CCCCC2)(C2CCCCC2)C1=O |c:3| Show InChI InChI=1S/C16H27N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3,(H2,17,18)	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	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant APP expressed in CHO-K1 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 20: 632-5 (2010) Article DOI: 10.1016/j.bmcl.2009.11.052 BindingDB Entry DOI: 10.7270/Q20Z73BN
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50315005 (6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)phenyl)-1H-...) Show SMILES CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1cccc(N)n1 Show InChI InChI=1S/C27H28ClN3O/c1-2-3-6-18-32-22-14-12-20(13-15-22)25-16-17-26(23-9-4-5-10-24(23)28)31(25)19-21-8-7-11-27(29)30-21/h4-5,7-17H,2-3,6,18-19H2,1H3,(H2,29,30)	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	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA				Bioorg Med Chem Lett 20: 2068-73 (2010) Article DOI: 10.1016/j.bmcl.2010.02.075 BindingDB Entry DOI: 10.7270/Q2PG1RWS
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50315000 (6-((2-(2-chlorophenyl)-5-(4-(pyrimidin-5-yloxy)phe...) Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)n1 Show InChI InChI=1S/C26H20ClN5O/c27-23-6-2-1-5-22(23)25-13-12-24(32(25)16-19-4-3-7-26(28)31-19)18-8-10-20(11-9-18)33-21-14-29-17-30-15-21/h1-15,17H,16H2,(H2,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA				Bioorg Med Chem Lett 20: 2068-73 (2010) Article DOI: 10.1016/j.bmcl.2010.02.075 BindingDB Entry DOI: 10.7270/Q2PG1RWS
					More data for this Ligand-Target Pair

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