Compile Data Set for Download or QSAR

Found 57 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
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
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
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
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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM476540 (US10875854, Example 13) Show SMILES CC(C)c1ccc(OCC(F)(F)F)n2nc(N[C@H]3[C@H]4CC[C@@H]3CN(C4)c3ccnc(Cl)c3)nc12 |r,TLB:16:17:23.24.22:19.20,THB:25:23:17:19.20| Show InChI InChI=1S/C23H26ClF3N6O/c1-13(2)17-5-6-19(34-12-23(25,26)27)33-21(17)30-22(31-33)29-20-14-3-4-15(20)11-32(10-14)16-7-8-28-18(24)9-16/h5-9,13-15,20H,3-4,10-12H2,1-2H3,(H,29,31)/t14-,15+,20-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	11.7	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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM476557 (US10875854, Example 30) Show SMILES CC(C)c1ccc(O[C@@H](C)C(F)(F)F)n2nc(N[C@H]3[C@H]4CC[C@@H]3CN(C4)c3cnnc(Cl)c3)nc12 |r,TLB:17:18:24.25.23:20.21,THB:26:24:18:20.21| Show InChI InChI=1S/C23H27ClF3N7O/c1-12(2)17-6-7-19(35-13(3)23(25,26)27)34-21(17)30-22(32-34)29-20-14-4-5-15(20)11-33(10-14)16-8-18(24)31-28-9-16/h6-9,12-15,20H,4-5,10-11H2,1-3H3,(H,29,32)/t13-,14-,15+,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	13.2	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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM50502715 (CHEMBL4567728 | US11440915, Example 10) 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?/m0/s1	PDB UniProtKB/SwissProt 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
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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM50502709 (CHEMBL4538936 | US11440915, Example 8) Show SMILES Cc1cn(cn1)C12CCC(CC1)(CC2)Nc1nc2[C@@H](CCCCn2n1)c1cc(F)cc(Cl)c1 |r| Show InChI InChI=1S/C25H30ClFN6/c1-17-15-32(16-28-17)25-8-5-24(6-9-25,7-10-25)30-23-29-22-21(4-2-3-11-33(22)31-23)18-12-19(26)14-20(27)13-18/h12-16,21H,2-11H2,1H3,(H,30,31)/t21-,24?,25?/m0/s1	PDB UniProtKB/SwissProt 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
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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM571404 ((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	14	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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM476556 (US10875854, Example 29) Show SMILES COc1cc(cnn1)N1C[C@@H]2CC[C@H](C1)[C@H]2Nc1nc2c(ccc(O[C@@H](C)C(F)(F)F)n2n1)C(C)C |r,TLB:4:8:15:11.12,16:15:8.9.14:11.12| Show InChI InChI=1S/C24H30F3N7O2/c1-13(2)18-7-8-20(36-14(3)24(25,26)27)34-22(18)30-23(32-34)29-21-15-5-6-16(21)12-33(11-15)17-9-19(35-4)31-28-10-17/h7-10,13-16,21H,5-6,11-12H2,1-4H3,(H,29,32)/t14-,15-,16+,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	14.2	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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM50502714 (CHEMBL4470732 | US11440915, Example 7) Show SMILES Cc1cn(cn1)C12CCC(CC1)(CC2)Nc1nc2[C@H](CCCCn2n1)c1cc(F)cc(Cl)c1 |r| Show InChI InChI=1S/C25H30ClFN6/c1-17-15-32(16-28-17)25-8-5-24(6-9-25,7-10-25)30-23-29-22-21(4-2-3-11-33(22)31-23)18-12-19(26)14-20(27)13-18/h12-16,21H,2-11H2,1H3,(H,30,31)/t21-,24?,25?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	15	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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM50502710 (CHEMBL4520800 | US11440915, Example 1) Show SMILES Cc1cn(cn1)C12CC(C1)(C2)Nc1nc2[C@H](CCCCn2n1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C22H25ClN6/c1-15-10-28(14-24-15)22-11-21(12-22,13-22)26-20-25-19-18(7-2-3-8-29(19)27-20)16-5-4-6-17(23)9-16/h4-6,9-10,14,18H,2-3,7-8,11-13H2,1H3,(H,26,27)/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	15	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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM476533 (N-((8 endo)-3-(2-methoxypyridin-4-yl)-3-azabicyclo...) Show SMILES COc1cc(ccn1)N1C[C@@H]2CC[C@H](C1)[C@H]2Nc1nc2c(C)ccc(OCC(F)(F)F)n2n1 |r,TLB:16:15:8.9.14:12.11,THB:4:8:15:12.11| Show InChI InChI=1S/C22H25F3N6O2/c1-13-3-6-18(33-12-22(23,24)25)31-20(13)28-21(29-31)27-19-14-4-5-15(19)11-30(10-14)16-7-8-26-17(9-16)32-2/h3,6-9,14-15,19H,4-5,10-12H2,1-2H3,(H,27,29)/t14-,15+,19-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	15.6	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 US10875854 (2020) BindingDB Entry DOI: 10.7270/Q28W3HCB
					More data for this Ligand-Target Pair
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM50502719 (CHEMBL4475670 | US11440915, Example 2) Show SMILES Cc1cn(cn1)C12CC(C1)(C2)Nc1nc2[C@@H](CCCCn2n1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C22H25ClN6/c1-15-10-28(14-24-15)22-11-21(12-22,13-22)26-20-25-19-18(7-2-3-8-29(19)27-20)16-5-4-6-17(23)9-16/h4-6,9-10,14,18H,2-3,7-8,11-13H2,1H3,(H,26,27)/t18-,21?,22?/m0/s1	PDB UniProtKB/SwissProt 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
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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM571401 ((9R)-9-(2-fluorophenyl)-N-[3-(4-methylimidazol-1-y...) Show SMILES Cc1cn(cn1)C12CC(C1)(C2)Nc1nc2[C@@H](CCCCn2n1)c1ccccc1F |r| Show InChI	PDB UniProtKB/SwissProt 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
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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM476555 (8-isopropyl-N-((8 endo)-3-(2-methoxypyridin-4-yl)-...) Show SMILES COc1cc(ccn1)N1C[C@@H]2CC[C@H](C1)C2Nc1nc2c(ccc(O[C@@H](C)C(F)(F)F)n2n1)C(C)C |r,TLB:16:15:14.8.9:11.12,4:8:15:11.12| Show InChI InChI=1S/C25H31F3N6O2/c1-14(2)19-7-8-21(36-15(3)25(26,27)28)34-23(19)31-24(32-34)30-22-16-5-6-17(22)13-33(12-16)18-9-10-29-20(11-18)35-4/h7-11,14-17,22H,5-6,12-13H2,1-4H3,(H,30,32)/t15-,16-,17+,22?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	19.6	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 US10875854 (2020) BindingDB Entry DOI: 10.7270/Q28W3HCB
					More data for this Ligand-Target Pair
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM476530 (8-methyl-5-(2,2,2-trifluoroethoxy)-N-((8 endo)-3-(...) Show SMILES Cc1ccc(OCC(F)(F)F)n2nc(N[C@H]3[C@H]4CC[C@@H]3CN(C4)c3ccnc(c3)C(F)(F)F)nc12 |r,TLB:14:15:21.22.20:18.17,THB:23:21:15:18.17| Show InChI InChI=1S/C22H22F6N6O/c1-12-2-5-17(35-11-21(23,24)25)34-19(12)31-20(32-34)30-18-13-3-4-14(18)10-33(9-13)15-6-7-29-16(8-15)22(26,27)28/h2,5-8,13-14,18H,3-4,9-11H2,1H3,(H,30,32)/t13-,14+,18-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	20.6	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 US10875854 (2020) BindingDB Entry DOI: 10.7270/Q28W3HCB
					More data for this Ligand-Target Pair
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM476544 ((8 endo)-3-(6-methoxypyridazin-4-yl)-3-azabicyclo[...) Show SMILES COc1cc(cnn1)N1C[C@@H]2CC[C@H](C1)[C@H]2Nc1nc2c(ccc(OCC(F)(F)F)n2n1)C(C)C |r,TLB:4:8:15:11.12,16:15:8.9.14:11.12| Show InChI InChI=1S/C23H28F3N7O2/c1-13(2)17-6-7-19(35-12-23(24,25)26)33-21(17)29-22(31-33)28-20-14-4-5-15(20)11-32(10-14)16-8-18(34-3)30-27-9-16/h6-9,13-15,20H,4-5,10-12H2,1-3H3,(H,28,31)/t14-,15+,20-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	21.2	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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM476548 (3-methoxy-4-(2-methyl-4-pyridyl)aniline | US108758...) Show SMILES COc1cc(Nc2nc3c(ccc(OCC(F)(F)F)n3n2)C(C)C)ccc1-c1ccnc(C)c1 Show InChI InChI=1S/C24H24F3N5O2/c1-14(2)18-7-8-21(34-13-24(25,26)27)32-22(18)30-23(31-32)29-17-5-6-19(20(12-17)33-4)16-9-10-28-15(3)11-16/h5-12,14H,13H2,1-4H3,(H,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	21.2	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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM50502713 (CHEMBL4468874 | US11440915, Example 6) Show SMILES Cc1cn(cn1)C12CC(C1)(C2)Nc1nc2[C@@H](CCCCn2n1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H25ClN6/c1-15-10-28(14-24-15)22-11-21(12-22,13-22)26-20-25-19-18(4-2-3-9-29(19)27-20)16-5-7-17(23)8-6-16/h5-8,10,14,18H,2-4,9,11-13H2,1H3,(H,26,27)/t18-,21?,22?/m0/s1	PDB UniProtKB/SwissProt 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
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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM476542 (US10875854, Example 15) Show SMILES CC(C)c1ccc(OCC(F)(F)F)n2nc(N[C@H]3[C@H]4CC[C@@H]3CN(C4)c3cnnc(Cl)c3)nc12 |r,TLB:16:17:23.24.22:19.20,THB:25:23:17:19.20| Show InChI InChI=1S/C22H25ClF3N7O/c1-12(2)16-5-6-18(34-11-22(24,25)26)33-20(16)29-21(31-33)28-19-13-3-4-14(19)10-32(9-13)15-7-17(23)30-27-8-15/h5-8,12-14,19H,3-4,9-11H2,1-2H3,(H,28,31)/t13-,14+,19-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	23.2	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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM50502711 (CHEMBL4515522 | US11440915, Example 3) Show SMILES Cc1cn(cn1)C12CC(C1)(C2)Nc1nc2[C@H](CCCCn2n1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H25FN6/c1-15-10-28(14-24-15)22-11-21(12-22,13-22)26-20-25-19-18(4-2-3-9-29(19)27-20)16-5-7-17(23)8-6-16/h5-8,10,14,18H,2-4,9,11-13H2,1H3,(H,26,27)/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	25	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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM476541 (US10875854, Example 14) Show SMILES COc1cc(ccn1)N1C[C@@H]2CC[C@H](C1)[C@H]2Nc1nc2c(ccc(OCC(F)(F)F)n2n1)C(C)C |r,TLB:4:8:15:11.12,16:15:8.9.14:11.12| Show InChI InChI=1S/C24H29F3N6O2/c1-14(2)18-6-7-20(35-13-24(25,26)27)33-22(18)30-23(31-33)29-21-15-4-5-16(21)12-32(11-15)17-8-9-28-19(10-17)34-3/h6-10,14-16,21H,4-5,11-13H2,1-3H3,(H,29,31)/t15-,16+,21-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	25.4	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 US10875854 (2020) BindingDB Entry DOI: 10.7270/Q28W3HCB
					More data for this Ligand-Target Pair
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM50502712 (CHEMBL4439419 | US11440915, Example 5) Show SMILES Cc1cn(cn1)C12CC(C1)(C2)Nc1nc2[C@H](CCCCn2n1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H25ClN6/c1-15-10-28(14-24-15)22-11-21(12-22,13-22)26-20-25-19-18(4-2-3-9-29(19)27-20)16-5-7-17(23)8-6-16/h5-8,10,14,18H,2-4,9,11-13H2,1H3,(H,26,27)/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	26	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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM476546 (3-Methoxy-4-(3-methyl-1,2,4-triazol-1-yl)aniline |...) Show SMILES COc1cc(Nc2nc3c(ccc(OCC(F)(F)F)n3n2)C(C)C)ccc1-n1cnc(C)n1 Show InChI InChI=1S/C21H22F3N7O2/c1-12(2)15-6-8-18(33-10-21(22,23)24)31-19(15)27-20(29-31)26-14-5-7-16(17(9-14)32-4)30-11-25-13(3)28-30/h5-9,11-12H,10H2,1-4H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	26.6	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 US10875854 (2020) BindingDB Entry DOI: 10.7270/Q28W3HCB
					More data for this Ligand-Target Pair
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM476552 (4-(4-chloroimidazol-1-yl)-3-methoxy-aniline | US10...) Show SMILES COc1cc(Nc2nc3c(ccc(O[C@@H](C)C(F)(F)F)n3n2)C(C)(C)O)ccc1-n1cnc(C)c1 |r| Show InChI InChI=1S/C23H25F3N6O3/c1-13-11-31(12-27-13)17-8-6-15(10-18(17)34-5)28-21-29-20-16(22(3,4)33)7-9-19(32(20)30-21)35-14(2)23(24,25)26/h6-12,14,33H,1-5H3,(H,28,30)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	27	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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM50502722 (CHEMBL4522681 | US11440915, Example 14) Show SMILES Cc1cn(cn1)C12CC(C1)(C2)Nc1nc2[C@@H](CCCCn2n1)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C22H24F2N6/c1-14-9-29(13-25-14)22-10-21(11-22,12-22)27-20-26-19-16(4-2-3-7-30(19)28-20)15-5-6-17(23)18(24)8-15/h5-6,8-9,13,16H,2-4,7,10-12H2,1H3,(H,27,28)/t16-,21?,22?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	27	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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM571407 ((9R)-N-[4-(4-methylimidazol-1-yl)-1-bicyclo[2.2.2]...) Show SMILES Cc1cn(cn1)C12CCC(CC1)(CC2)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	27	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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM476531 (8-methyl-N-((8 endo)-3-(6-methylpyrimidin-4-yl)-3-...) Show SMILES Cc1cc(ncn1)N1C[C@@H]2CC[C@H](C1)[C@H]2Nc1nc2c(C)ccc(OCC(F)(F)F)n2n1 |r,TLB:3:7:14:11.10,15:14:7.8.13:11.10| Show InChI InChI=1S/C21H24F3N7O/c1-12-3-6-17(32-10-21(22,23)24)31-19(12)28-20(29-31)27-18-14-4-5-15(18)9-30(8-14)16-7-13(2)25-11-26-16/h3,6-7,11,14-15,18H,4-5,8-10H2,1-2H3,(H,27,29)/t14-,15+,18-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	29.9	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 US10875854 (2020) BindingDB Entry DOI: 10.7270/Q28W3HCB
					More data for this Ligand-Target Pair
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM50502720 (CHEMBL4474921 | US11440915, Example 4) Show SMILES Cc1cn(cn1)C12CC(C1)(C2)Nc1nc2[C@@H](CCCCn2n1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H25FN6/c1-15-10-28(14-24-15)22-11-21(12-22,13-22)26-20-25-19-18(4-2-3-9-29(19)27-20)16-5-7-17(23)8-6-16/h5-8,10,14,18H,2-4,9,11-13H2,1H3,(H,26,27)/t18-,21?,22?/m0/s1	PDB UniProtKB/SwissProt 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
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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM476562 (N-[4-(4-chloroimidazol-1-yl)-3-methoxy-phenyl]-8-(...) Show SMILES COc1cc(Nc2nc3c(ccc(O[C@@H](C)C(F)(F)F)n3n2)C(F)(F)F)ccc1-n1cnc(Cl)n1 |r| Show InChI InChI=1S/C19H14ClF6N7O2/c1-9(18(21,22)23)35-14-6-4-11(19(24,25)26)15-29-17(31-33(14)15)28-10-3-5-12(13(7-10)34-2)32-8-27-16(20)30-32/h3-9H,1-2H3,(H,28,31)/t9-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	31.4	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 US10875854 (2020) BindingDB Entry DOI: 10.7270/Q28W3HCB
					More data for this Ligand-Target Pair
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM476538 (8-isopropyl-5-(2,2,2-trifluoroethoxy)-N-((8 endo)-...) Show SMILES CC(C)c1ccc(OCC(F)(F)F)n2nc(N[C@H]3[C@H]4CC[C@@H]3CN(C4)c3ccnc(c3)C(F)(F)F)nc12 |r,TLB:16:17:23.24.22:20.19,THB:25:23:17:20.19| Show InChI InChI=1S/C24H26F6N6O/c1-13(2)17-5-6-19(37-12-23(25,26)27)36-21(17)33-22(34-36)32-20-14-3-4-15(20)11-35(10-14)16-7-8-31-18(9-16)24(28,29)30/h5-9,13-15,20H,3-4,10-12H2,1-2H3,(H,32,34)/t14-,15+,20-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	33.2	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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM476543 (US10875854, Example 16) Show SMILES CC(C)c1ccc(OCC(F)(F)F)n2nc(Nc3ccc(c(OC(F)F)c3)-n3cnc(C)n3)nc12 Show InChI InChI=1S/C21H20F5N7O2/c1-11(2)14-5-7-17(34-9-21(24,25)26)33-18(14)29-20(31-33)28-13-4-6-15(16(8-13)35-19(22)23)32-10-27-12(3)30-32/h4-8,10-11,19H,9H2,1-3H3,(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	34.2	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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM476549 (2-[2-[[(8 endo)-3-(6-methylpyrimidin-4-yl)-3-azabi...) Show SMILES C[C@H](Oc1ccc(c2nc(N[C@H]3[C@H]4CC[C@@H]3CN(C4)c3cc(C)ncn3)nn12)C(C)(C)O)C(F)(F)F |r,TLB:10:11:17.18.16:14.13,THB:19:17:11:14.13| Show InChI InChI=1S/C24H30F3N7O2/c1-13-9-18(29-12-28-13)33-10-15-5-6-16(11-33)20(15)30-22-31-21-17(23(3,4)35)7-8-19(34(21)32-22)36-14(2)24(25,26)27/h7-9,12,14-16,20,35H,5-6,10-11H2,1-4H3,(H,30,32)/t14-,15-,16+,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	34.6	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 US10875854 (2020) BindingDB Entry DOI: 10.7270/Q28W3HCB
					More data for this Ligand-Target Pair
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM476554 (US10875854, Example 27) Show SMILES C[C@H](Oc1ccc(c2nc(Nc3ccc(c(c3)C#N)-n3cnc(C)c3)nn12)C(C)(C)O)C(F)(F)F |r| Show InChI InChI=1S/C23H22F3N7O2/c1-13-11-32(12-28-13)18-7-5-16(9-15(18)10-27)29-21-30-20-17(22(3,4)34)6-8-19(33(20)31-21)35-14(2)23(24,25)26/h5-9,11-12,14,34H,1-4H3,(H,29,31)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	37.3	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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM476545 ((8-endo)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabi...) Show SMILES CC(C)c1ccc(OCC(F)(F)F)n2nc(N[C@H]3[C@H]4CC[C@@H]3CN(C4)c3nc(C)no3)nc12 |r,TLB:16:17:23.24.22:19.20,THB:25:23:17:19.20| Show InChI InChI=1S/C21H26F3N7O2/c1-11(2)15-6-7-16(32-10-21(22,23)24)31-18(15)27-19(28-31)26-17-13-4-5-14(17)9-30(8-13)20-25-12(3)29-33-20/h6-7,11,13-14,17H,4-5,8-10H2,1-3H3,(H,26,28)/t13-,14+,17-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	37.4	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 US10875854 (2020) BindingDB Entry DOI: 10.7270/Q28W3HCB
					More data for this Ligand-Target Pair
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM571400 ((9R)-9-(2-fluorophenyl)-N-[3-(4-methylimidazol-1-y...) Show SMILES Cc1cn(cn1)C12CC(C1)(C2)Nc1nc2[C@H](CCCCn2n1)c1ccccc1F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	38	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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM476539 (US10875854, Example 12) Show SMILES CC(C)c1ccc(OCC(F)(F)F)n2nc(N[C@H]3[C@H]4CC[C@@H]3CN(C4)c3cc(C)ncn3)nc12 |r,TLB:16:17:23.24.22:19.20,THB:25:23:17:19.20| Show InChI InChI=1S/C23H28F3N7O/c1-13(2)17-6-7-19(34-11-23(24,25)26)33-21(17)30-22(31-33)29-20-15-4-5-16(20)10-32(9-15)18-8-14(3)27-12-28-18/h6-8,12-13,15-16,20H,4-5,9-11H2,1-3H3,(H,29,31)/t15-,16+,20-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	38.5	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 US10875854 (2020) BindingDB Entry DOI: 10.7270/Q28W3HCB
					More data for this Ligand-Target Pair
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM50502716 (CHEMBL4576494 | US11440915, Example 11) Show SMILES Cc1cn(cn1)C12CCC(CC1)(CC2)Nc1nc2[C@H](CCCCn2n1)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C25H30F2N6/c1-17-15-32(16-28-17)25-10-7-24(8-11-25,9-12-25)30-23-29-22-19(4-2-3-13-33(22)31-23)18-5-6-20(26)21(27)14-18/h5-6,14-16,19H,2-4,7-13H2,1H3,(H,30,31)/t19-,24?,25?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	39	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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM476551 (US10875854, Example 24 | US10875854, Example 33) Show SMILES COc1cc(Nc2nc3c(ccc(O[C@@H](C)C(F)(F)F)n3n2)C(C)(C)O)ccc1-n1cnc(C)n1 |r| Show InChI InChI=1S/C22H24F3N7O3/c1-12(22(23,24)25)35-18-9-7-15(21(3,4)33)19-28-20(30-32(18)19)27-14-6-8-16(17(10-14)34-5)31-11-26-13(2)29-31/h6-12,33H,1-5H3,(H,27,30)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	39	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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM476551 (US10875854, Example 24 | US10875854, Example 33) Show SMILES COc1cc(Nc2nc3c(ccc(O[C@@H](C)C(F)(F)F)n3n2)C(C)(C)O)ccc1-n1cnc(C)n1 |r| Show InChI InChI=1S/C22H24F3N7O3/c1-12(22(23,24)25)35-18-9-7-15(21(3,4)33)19-28-20(30-32(18)19)27-14-6-8-16(17(10-14)34-5)31-11-26-13(2)29-31/h6-12,33H,1-5H3,(H,27,30)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	39	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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM476550 (US10875854, Example 23) Show SMILES C[C@H](Oc1ccc(c2nc(N[C@H]3[C@H]4CC[C@@H]3CN(C4)c3cnnc(Cl)c3)nn12)C(C)(C)O)C(F)(F)F |r,TLB:10:11:17.18.16:13.14,THB:19:17:11:13.14| Show InChI InChI=1S/C23H27ClF3N7O2/c1-12(23(25,26)27)36-18-7-6-16(22(2,3)35)20-30-21(32-34(18)20)29-19-13-4-5-14(19)11-33(10-13)15-8-17(24)31-28-9-15/h6-9,12-14,19,35H,4-5,10-11H2,1-3H3,(H,29,32)/t12-,13-,14+,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	40	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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM476561 (N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl...) Show SMILES COc1cc(Nc2nc3c(ccc(O[C@@H](C)C(F)(F)F)n3n2)C(F)(F)F)ccc1-n1cnc(C)n1 |r| Show InChI InChI=1S/C20H17F6N7O2/c1-10(19(21,22)23)35-16-7-5-13(20(24,25)26)17-29-18(31-33(16)17)28-12-4-6-14(15(8-12)34-3)32-9-27-11(2)30-32/h4-10H,1-3H3,(H,28,31)/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	40.5	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 US10875854 (2020) BindingDB Entry DOI: 10.7270/Q28W3HCB
					More data for this Ligand-Target Pair
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM476553 (4-(3-chloro-1,2,4-triazol-1-yl)-3-methoxy-aniline ...) Show SMILES COc1cc(Nc2nc3c(ccc(O[C@@H](C)C(F)(F)F)n3n2)C(C)(C)O)ccc1-n1cnc(Cl)n1 |r| Show InChI InChI=1S/C21H21ClF3N7O3/c1-11(21(23,24)25)35-16-8-6-13(20(2,3)33)17-28-19(30-32(16)17)27-12-5-7-14(15(9-12)34-4)31-10-26-18(22)29-31/h5-11,33H,1-4H3,(H,27,30)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	42.2	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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM571406 ((9R)-N-[4-(4-methylimidazol-1-yl)-1-bicyclo[2.2.2]...) Show SMILES Cc1cn(cn1)C12CCC(CC1)(CC2)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	43	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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM476559 ((8 endo)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabi...) Show SMILES CC(C)c1ccc(O[C@@H](C)C(F)(F)F)n2nc(N[C@H]3[C@H]4CC[C@@H]3CN(C4)c3nnc(C)o3)nc12 |r,TLB:17:18:24.25.23:20.21,THB:26:24:18:20.21| Show InChI InChI=1S/C22H28F3N7O2/c1-11(2)16-7-8-17(33-12(3)22(23,24)25)32-19(16)27-20(30-32)26-18-14-5-6-15(18)10-31(9-14)21-29-28-13(4)34-21/h7-8,11-12,14-15,18H,5-6,9-10H2,1-4H3,(H,26,30)/t12-,14-,15+,18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	43.2	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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM476528 (5-(2,2,2-trifluoroethoxy)-N-((8 endo)-3-(2-(triflu...) Show SMILES FC(F)(F)COc1cccc2nc(N[C@H]3[C@H]4CC[C@@H]3CN(C4)c3ccnc(c3)C(F)(F)F)nn12 |r,TLB:13:14:20.21.19:16.17,THB:22:20:14:16.17| Show InChI InChI=1S/C21H20F6N6O/c22-20(23,24)11-34-17-3-1-2-16-29-19(31-33(16)17)30-18-12-4-5-13(18)10-32(9-12)14-6-7-28-15(8-14)21(25,26)27/h1-3,6-8,12-13,18H,4-5,9-11H2,(H,30,31)/t12-,13+,18-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	43.6	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 US10875854 (2020) BindingDB Entry DOI: 10.7270/Q28W3HCB
					More data for this Ligand-Target Pair
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM476536 (2-(2-(((8 endo)-3-(6-methylpyrimidin-4-yl)-3-azabi...) Show SMILES Cc1cc(ncn1)N1C[C@@H]2CC[C@H](C1)[C@H]2Nc1nc2c(ccc(OCC(F)(F)F)n2n1)C(C)(C)O |r,TLB:15:14:7.8.13:11.10,3:7:14:11.10| Show InChI InChI=1S/C23H28F3N7O2/c1-13-8-17(28-12-27-13)32-9-14-4-5-15(10-32)19(14)29-21-30-20-16(22(2,3)34)6-7-18(33(20)31-21)35-11-23(24,25)26/h6-8,12,14-15,19,34H,4-5,9-11H2,1-3H3,(H,29,31)/t14-,15+,19-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	43.8	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 US10875854 (2020) BindingDB Entry DOI: 10.7270/Q28W3HCB
					More data for this Ligand-Target Pair
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM50502717 (CHEMBL4461898 | US11440915, Example 13) Show SMILES Cc1cn(cn1)C12CC(C1)(C2)Nc1nc2[C@H](CCCCn2n1)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C22H24F2N6/c1-14-9-29(13-25-14)22-10-21(11-22,12-22)27-20-26-19-16(4-2-3-7-30(19)28-20)15-5-6-17(23)18(24)8-15/h5-6,8-9,13,16H,2-4,7,10-12H2,1H3,(H,27,28)/t16-,21?,22?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	44	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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM476535 (2-(5-(2,2,2-trifluoroethoxy)-2-(((8 endo)-3-(2-(tr...) Show SMILES CC(C)(O)c1ccc(OCC(F)(F)F)n2nc(N[C@H]3[C@H]4CC[C@@H]3CN(C4)c3ccnc(c3)C(F)(F)F)nc12 |r,TLB:17:18:24.25.23:21.20,THB:26:24:18:21.20| Show InChI InChI=1S/C24H26F6N6O2/c1-22(2,37)16-5-6-18(38-12-23(25,26)27)36-20(16)33-21(34-36)32-19-13-3-4-14(19)11-35(10-13)15-7-8-31-17(9-15)24(28,29)30/h5-9,13-14,19,37H,3-4,10-12H2,1-2H3,(H,32,34)/t13-,14+,19-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	44.8	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 US10875854 (2020) BindingDB Entry DOI: 10.7270/Q28W3HCB
					More data for this Ligand-Target Pair

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