Compile Data Set for Download or QSAR

Found 177 hits with Last Name = 'jacobsen' and Initial = 'h'   

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
Presenilin-1 (Homo sapiens (Human))	BDBM50477148 (CHEMBL235870) Show SMILES CC(OC(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C22H20F5N3O4/c1-12(34-20(33)28-11-21(23,24)22(25,26)27)18(31)29-17-15-9-4-3-7-13(15)14-8-5-6-10-16(14)30(2)19(17)32/h3-10,12,17H,11H2,1-2H3,(H,28,33)(H,29,31)/t12?,17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.00200	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells by reporter gene assay				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477143 (CHEMBL392113) Show SMILES CC(C(=O)NCc1ccccc1)C(=O)NC1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C26H25N3O3/c1-17(24(30)27-16-18-10-4-3-5-11-18)25(31)28-23-21-14-7-6-12-19(21)20-13-8-9-15-22(20)29(2)26(23)32/h3-15,17,23H,16H2,1-2H3,(H,27,30)(H,28,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0150	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase assessed as amyloid-beta40 peptide production in HEK293 cells by ELISA				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477136 (CHEMBL235659) Show SMILES CC(C(=O)NCC(F)(F)F)C(=O)NC1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C21H20F3N3O3/c1-12(18(28)25-11-21(22,23)24)19(29)26-17-15-9-4-3-7-13(15)14-8-5-6-10-16(14)27(2)20(17)30/h3-10,12,17H,11H2,1-2H3,(H,25,28)(H,26,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase assessed as amyloid-beta40 peptide production in HEK293 cells by ELISA				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477131 (CHEMBL235869) Show SMILES CC(C(=O)NCCC(F)(F)F)C(=O)NC1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C22H22F3N3O3/c1-13(19(29)26-12-11-22(23,24)25)20(30)27-18-16-9-4-3-7-14(16)15-8-5-6-10-17(15)28(2)21(18)31/h3-10,13,18H,11-12H2,1-2H3,(H,26,29)(H,27,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0240	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells by reporter gene assay				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477131 (CHEMBL235869) Show SMILES CC(C(=O)NCCC(F)(F)F)C(=O)NC1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C22H22F3N3O3/c1-13(19(29)26-12-11-22(23,24)25)20(30)27-18-16-9-4-3-7-14(16)15-8-5-6-10-17(15)28(2)21(18)31/h3-10,13,18H,11-12H2,1-2H3,(H,26,29)(H,27,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0370	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase assessed as amyloid-beta40 peptide production in HEK293 cells by ELISA				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477136 (CHEMBL235659) Show SMILES CC(C(=O)NCC(F)(F)F)C(=O)NC1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C21H20F3N3O3/c1-12(18(28)25-11-21(22,23)24)19(29)26-17-15-9-4-3-7-13(15)14-8-5-6-10-16(14)27(2)20(17)30/h3-10,12,17H,11H2,1-2H3,(H,25,28)(H,26,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0420	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells by reporter gene assay				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477143 (CHEMBL392113) Show SMILES CC(C(=O)NCc1ccccc1)C(=O)NC1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C26H25N3O3/c1-17(24(30)27-16-18-10-4-3-5-11-18)25(31)28-23-21-14-7-6-12-19(21)20-13-8-9-15-22(20)29(2)26(23)32/h3-15,17,23H,16H2,1-2H3,(H,27,30)(H,28,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0750	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells by reporter gene assay				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477134 (CHEMBL393542) Show SMILES CC(C(=O)NCC1CC1)C(=O)NC1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C23H25N3O3/c1-14(21(27)24-13-15-11-12-15)22(28)25-20-18-9-4-3-7-16(18)17-8-5-6-10-19(17)26(2)23(20)29/h3-10,14-15,20H,11-13H2,1-2H3,(H,24,27)(H,25,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase assessed as amyloid-beta40 peptide production in HEK293 cells by ELISA				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477134 (CHEMBL393542) Show SMILES CC(C(=O)NCC1CC1)C(=O)NC1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C23H25N3O3/c1-14(21(27)24-13-15-11-12-15)22(28)25-20-18-9-4-3-7-16(18)17-8-5-6-10-19(17)26(2)23(20)29/h3-10,14-15,20H,11-13H2,1-2H3,(H,24,27)(H,25,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells by reporter gene assay				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50432608 (CHEMBL2347204 | US8754075, 4) Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2| Show InChI InChI=1S/C18H15F2N5O2/c1-18(15(20)9-27-17(22)25-18)12-6-11(3-4-13(12)19)24-16(26)14-5-2-10(7-21)8-23-14/h2-6,8,15H,9H2,1H3,(H2,22,25)(H,24,26)/t15-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human BACE1 in HEK293 cells transfected with wild type APP assessed as reduction of amyloid beta40 level after 18 to 20 hrs by AlphaLIS...				J Med Chem 56: 3980-95 (2013) Article DOI: 10.1021/jm400225m BindingDB Entry DOI: 10.7270/Q2RX9DFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50432614 (CHEMBL2347198) Show SMILES CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OCC1(F)F |r,t:25| Show InChI InChI=1S/C20H18F3N5O3/c1-3-4-7-30-16-10-25-15(9-26-16)17(29)27-12-5-6-14(21)13(8-12)19(2)20(22,23)11-31-18(24)28-19/h5-6,8-10H,7,11H2,1-2H3,(H2,24,28)(H,27,29)/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human BACE1 in HEK293 cells transfected with wild type APP assessed as reduction of amyloid beta40 level after 18 to 20 hrs by AlphaLIS...				J Med Chem 56: 3980-95 (2013) Article DOI: 10.1021/jm400225m BindingDB Entry DOI: 10.7270/Q2RX9DFZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50432632 (CHEMBL2347211) Show SMILES C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:6| Show InChI InChI=1S/C17H16ClFN4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human BACE1 in HEK293 cells transfected with wild type APP assessed as reduction of amyloid beta40 level after 18 to 20 hrs by AlphaLIS...				J Med Chem 56: 3980-95 (2013) Article DOI: 10.1021/jm400225m BindingDB Entry DOI: 10.7270/Q2RX9DFZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50432615 (CHEMBL2347197) Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F |r,t:2| Show InChI InChI=1S/C19H16F3N5O3/c1-3-6-29-15-9-24-14(8-25-15)16(28)26-11-4-5-13(20)12(7-11)18(2)19(21,22)10-30-17(23)27-18/h1,4-5,7-9H,6,10H2,2H3,(H2,23,27)(H,26,28)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human BACE1 in HEK293 cells transfected with wild type APP assessed as reduction of amyloid beta40 level after 18 to 20 hrs by AlphaLIS...				J Med Chem 56: 3980-95 (2013) Article DOI: 10.1021/jm400225m BindingDB Entry DOI: 10.7270/Q2RX9DFZ
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477145 (CHEMBL235648) Show SMILES C[C@@H](C(=O)NCc1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C26H23F2N3O3/c1-15(24(32)29-14-16-11-17(27)13-18(28)12-16)25(33)30-23-21-9-4-3-7-19(21)20-8-5-6-10-22(20)31(2)26(23)34/h3-13,15,23H,14H2,1-2H3,(H,29,32)(H,30,33)/t15-,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells by reporter gene assay				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477146 (CHEMBL428374) Show SMILES CC(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C22H20F5N3O3/c1-12(18(31)28-11-21(23,24)22(25,26)27)19(32)29-17-15-9-4-3-7-13(15)14-8-5-6-10-16(14)30(2)20(17)33/h3-10,12,17H,11H2,1-2H3,(H,28,31)(H,29,32)/t12?,17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells by reporter gene assay				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477142 (CHEMBL235226) Show SMILES C[C@H](OC(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C22H20F5N3O4/c1-12(34-20(33)28-11-21(23,24)22(25,26)27)18(31)29-17-15-9-4-3-7-13(15)14-8-5-6-10-16(14)30(2)19(17)32/h3-10,12,17H,11H2,1-2H3,(H,28,33)(H,29,31)/t12-,17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells by reporter gene assay				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477145 (CHEMBL235648) Show SMILES C[C@@H](C(=O)NCc1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C26H23F2N3O3/c1-15(24(32)29-14-16-11-17(27)13-18(28)12-16)25(33)30-23-21-9-4-3-7-19(21)20-8-5-6-10-22(20)31(2)26(23)34/h3-13,15,23H,14H2,1-2H3,(H,29,32)(H,30,33)/t15-,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase assessed as amyloid-beta40 peptide production in HEK293 cells by ELISA				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50432601 (CHEMBL2347208 | US9296734, 102) Show SMILES C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:6| Show InChI InChI=1S/C19H15F4N5O2/c1-18(7-15(19(21,22)23)30-17(25)28-18)12-6-11(3-4-13(12)20)27-16(29)14-5-2-10(8-24)9-26-14/h2-6,9,15H,7H2,1H3,(H2,25,28)(H,27,29)/t15-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human BACE1 in HEK293 cells transfected with wild type APP assessed as reduction of amyloid beta40 level after 18 to 20 hrs by AlphaLIS...				J Med Chem 56: 3980-95 (2013) Article DOI: 10.1021/jm400225m BindingDB Entry DOI: 10.7270/Q2RX9DFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Presenilin-1 (Homo sapiens (Human))	BDBM50478057 (CHEMBL256059) Show SMILES COc1ccc(CN([C@@H]2CC(F)(F)CCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1F |r| Show InChI InChI=1S/C20H19ClF4N2O4S/c1-31-16-7-2-12(17(22)18(16)23)11-27(15-10-20(24,25)8-9-26-19(15)28)32(29,30)14-5-3-13(21)4-6-14/h2-7,15H,8-11H2,1H3,(H,26,28)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477147 (CHEMBL235216) Show SMILES CCOCCNC(=O)C(C)C(=O)NC1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C23H27N3O4/c1-4-30-14-13-24-21(27)15(2)22(28)25-20-18-11-6-5-9-16(18)17-10-7-8-12-19(17)26(3)23(20)29/h5-12,15,20H,4,13-14H2,1-3H3,(H,24,27)(H,25,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase assessed as amyloid-beta40 peptide production in HEK293 cells by ELISA				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477146 (CHEMBL428374) Show SMILES CC(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C22H20F5N3O3/c1-12(18(31)28-11-21(23,24)22(25,26)27)19(32)29-17-15-9-4-3-7-13(15)14-8-5-6-10-16(14)30(2)20(17)33/h3-10,12,17H,11H2,1-2H3,(H,28,31)(H,29,32)/t12?,17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase assessed as amyloid-beta40 peptide production in HEK293 cells by ELISA				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477137 (CHEMBL235427) Show SMILES CC(C(=O)NCc1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C26H23F2N3O3/c1-15(24(32)29-14-16-11-17(27)13-18(28)12-16)25(33)30-23-21-9-4-3-7-19(21)20-8-5-6-10-22(20)31(2)26(23)34/h3-13,15,23H,14H2,1-2H3,(H,29,32)(H,30,33)/t15?,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase assessed as amyloid-beta40 peptide production in HEK293 cells by ELISA				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477147 (CHEMBL235216) Show SMILES CCOCCNC(=O)C(C)C(=O)NC1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C23H27N3O4/c1-4-30-14-13-24-21(27)15(2)22(28)25-20-18-11-6-5-9-16(18)17-10-7-8-12-19(17)26(3)23(20)29/h5-12,15,20H,4,13-14H2,1-3H3,(H,24,27)(H,25,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells by reporter gene assay				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50478077 (CHEMBL403332) Show SMILES FC1(F)CCNC(=O)[C@@H](C1)N(Cc1ccc(cc1)C(=O)NC1CC1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H24ClF2N3O4S/c24-17-5-9-19(10-6-17)34(32,33)29(20-13-23(25,26)11-12-27-22(20)31)14-15-1-3-16(4-2-15)21(30)28-18-7-8-18/h1-6,9-10,18,20H,7-8,11-14H2,(H,27,31)(H,28,30)/t20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50432631 (CHEMBL2347212) Show SMILES C[C@@]1(N=C(N)SCC1(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:2| Show InChI InChI=1S/C17H14ClF3N4OS/c1-16(17(20,21)8-27-15(22)25-16)11-6-10(3-4-12(11)19)24-14(26)13-5-2-9(18)7-23-13/h2-7H,8H2,1H3,(H2,22,25)(H,24,26)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human BACE1 in HEK293 cells transfected with wild type APP assessed as reduction of amyloid beta40 level after 18 to 20 hrs by AlphaLIS...				J Med Chem 56: 3980-95 (2013) Article DOI: 10.1021/jm400225m BindingDB Entry DOI: 10.7270/Q2RX9DFZ
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477149 (CHEMBL430169) Show SMILES CC(C(N)=O)C(=O)NC1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C19H19N3O3/c1-11(17(20)23)18(24)21-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)22(2)19(16)25/h3-11,16H,1-2H3,(H2,20,23)(H,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase assessed as amyloid-beta40 peptide production in HEK293 cells by ELISA				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477132 (CHEMBL267960) Show SMILES CC(NC(=O)C(C)C(=O)NC1c2ccccc2-c2ccccc2N(C)C1=O)c1ccccc1 Show InChI InChI=1S/C27H27N3O3/c1-17(25(31)28-18(2)19-11-5-4-6-12-19)26(32)29-24-22-15-8-7-13-20(22)21-14-9-10-16-23(21)30(3)27(24)33/h4-18,24H,1-3H3,(H,28,31)(H,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase assessed as amyloid-beta40 peptide production in HEK293 cells by ELISA				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50478058 (CHEMBL429938) Show SMILES CC1(C)CCNC(=O)C(C1)N(Cc1ccc(cc1)C(=O)NC1CC1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H30ClN3O4S/c1-25(2)13-14-27-24(31)22(15-25)29(34(32,33)21-11-7-19(26)8-12-21)16-17-3-5-18(6-4-17)23(30)28-20-9-10-20/h3-8,11-12,20,22H,9-10,13-16H2,1-2H3,(H,27,31)(H,28,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50432614 (CHEMBL2347198) Show SMILES CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OCC1(F)F |r,t:25| Show InChI InChI=1S/C20H18F3N5O3/c1-3-4-7-30-16-10-25-15(9-26-16)17(29)27-12-5-6-14(21)13(8-12)19(2)20(22,23)11-31-18(24)28-19/h5-6,8-10H,7,11H2,1-2H3,(H2,24,28)(H,27,29)/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human BACE1 using MR121-labeled substrate incubated for 4 mins prior to substrate addition measured after 2 mins by spectrophotometric ...				J Med Chem 56: 3980-95 (2013) Article DOI: 10.1021/jm400225m BindingDB Entry DOI: 10.7270/Q2RX9DFZ
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477132 (CHEMBL267960) Show SMILES CC(NC(=O)C(C)C(=O)NC1c2ccccc2-c2ccccc2N(C)C1=O)c1ccccc1 Show InChI InChI=1S/C27H27N3O3/c1-17(25(31)28-18(2)19-11-5-4-6-12-19)26(32)29-24-22-15-8-7-13-20(22)21-14-9-10-16-23(21)30(3)27(24)33/h4-18,24H,1-3H3,(H,28,31)(H,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells by reporter gene assay				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477140 (CHEMBL267959) Show SMILES C[C@H](C(=O)NCc1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C26H23F2N3O3/c1-15(24(32)29-14-16-11-17(27)13-18(28)12-16)25(33)30-23-21-9-4-3-7-19(21)20-8-5-6-10-22(20)31(2)26(23)34/h3-13,15,23H,14H2,1-2H3,(H,29,32)(H,30,33)/t15-,23+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells by reporter gene assay				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50478061 (CHEMBL439242) Show SMILES CC(C)C[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(Cl)cc1)C(N)=O |r| Show InChI InChI=1S/C20H23ClN2O5S/c1-13(2)9-17(20(22)24)23(29(25,26)16-6-4-15(21)5-7-16)11-14-3-8-18-19(10-14)28-12-27-18/h3-8,10,13,17H,9,11-12H2,1-2H3,(H2,22,24)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477142 (CHEMBL235226) Show SMILES C[C@H](OC(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C22H20F5N3O4/c1-12(34-20(33)28-11-21(23,24)22(25,26)27)18(31)29-17-15-9-4-3-7-13(15)14-8-5-6-10-16(14)30(2)19(17)32/h3-10,12,17H,11H2,1-2H3,(H,28,33)(H,29,31)/t12-,17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase assessed as amyloid-beta40 peptide production in HEK293 cells by ELISA				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477140 (CHEMBL267959) Show SMILES C[C@H](C(=O)NCc1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C26H23F2N3O3/c1-15(24(32)29-14-16-11-17(27)13-18(28)12-16)25(33)30-23-21-9-4-3-7-19(21)20-8-5-6-10-22(20)31(2)26(23)34/h3-13,15,23H,14H2,1-2H3,(H,29,32)(H,30,33)/t15-,23+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase assessed as amyloid-beta40 peptide production in HEK293 cells by ELISA				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477137 (CHEMBL235427) Show SMILES CC(C(=O)NCc1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C26H23F2N3O3/c1-15(24(32)29-14-16-11-17(27)13-18(28)12-16)25(33)30-23-21-9-4-3-7-19(21)20-8-5-6-10-22(20)31(2)26(23)34/h3-13,15,23H,14H2,1-2H3,(H,29,32)(H,30,33)/t15?,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells by reporter gene assay				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50432632 (CHEMBL2347211) Show SMILES C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:6| Show InChI InChI=1S/C17H16ClFN4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human BACE2 using MR121-labeled substrate incubated for 4 mins prior to substrate addition measured after 2 mins by spectrophotometric ...				J Med Chem 56: 3980-95 (2013) Article DOI: 10.1021/jm400225m BindingDB Entry DOI: 10.7270/Q2RX9DFZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50432606 (CHEMBL2347206 | US8999980, I-53) Show SMILES NC1=N[C@](CCO1)(C(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:1| Show InChI InChI=1S/C18H14F3N5O2/c19-13-3-2-11(25-15(27)14-4-1-10(8-22)9-24-14)7-12(13)18(16(20)21)5-6-28-17(23)26-18/h1-4,7,9,16H,5-6H2,(H2,23,26)(H,25,27)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human BACE1 in HEK293 cells transfected with wild type APP assessed as reduction of amyloid beta40 level after 18 to 20 hrs by AlphaLIS...				J Med Chem 56: 3980-95 (2013) Article DOI: 10.1021/jm400225m BindingDB Entry DOI: 10.7270/Q2RX9DFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Presenilin-1 (Homo sapiens (Human))	BDBM50477133 (CHEMBL391420) Show SMILES CC(C(=O)NCc1cc(F)cc(F)c1)C(=O)NC1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C26H23F2N3O3/c1-15(24(32)29-14-16-11-17(27)13-18(28)12-16)25(33)30-23-21-9-4-3-7-19(21)20-8-5-6-10-22(20)31(2)26(23)34/h3-13,15,23H,14H2,1-2H3,(H,29,32)(H,30,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells by reporter gene assay				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50432602 (CHEMBL2347188) Show SMILES C[C@@]1(N=C(N)O[C@@H]([C@@H]1F)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2| Show InChI InChI=1S/C19H14F5N5O2/c1-18(14(21)15(19(22,23)24)31-17(26)29-18)11-6-10(3-4-12(11)20)28-16(30)13-5-2-9(7-25)8-27-13/h2-6,8,14-15H,1H3,(H2,26,29)(H,28,30)/t14-,15-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human BACE1 in HEK293 cells transfected with wild type APP assessed as reduction of amyloid beta40 level after 18 to 20 hrs by AlphaLIS...				J Med Chem 56: 3980-95 (2013) Article DOI: 10.1021/jm400225m BindingDB Entry DOI: 10.7270/Q2RX9DFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50432599 (CHEMBL2347209 | US8999980, I-8) Show SMILES C[C@]1(CCOC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:6| Show InChI InChI=1S/C17H16ClFN4O2/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human BACE1 in HEK293 cells transfected with wild type APP assessed as reduction of amyloid beta40 level after 18 to 20 hrs by AlphaLIS...				J Med Chem 56: 3980-95 (2013) Article DOI: 10.1021/jm400225m BindingDB Entry DOI: 10.7270/Q2RX9DFZ
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50432620 (CHEMBL2347192) Show SMILES Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OCC1(F)F |r,t:22| Show InChI InChI=1S/C18H16ClF3N4O2/c1-9-5-10(19)7-24-14(9)15(27)25-11-3-4-13(20)12(6-11)17(2)18(21,22)8-28-16(23)26-17/h3-7H,8H2,1-2H3,(H2,23,26)(H,25,27)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human BACE2 using MR121-labeled substrate incubated for 4 mins prior to substrate addition measured after 2 mins by spectrophotometric ...				J Med Chem 56: 3980-95 (2013) Article DOI: 10.1021/jm400225m BindingDB Entry DOI: 10.7270/Q2RX9DFZ
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50432631 (CHEMBL2347212) Show SMILES C[C@@]1(N=C(N)SCC1(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:2| Show InChI InChI=1S/C17H14ClF3N4OS/c1-16(17(20,21)8-27-15(22)25-16)11-6-10(3-4-12(11)19)24-14(26)13-5-2-9(18)7-23-13/h2-7H,8H2,1H3,(H2,22,25)(H,24,26)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human BACE2 using MR121-labeled substrate incubated for 4 mins prior to substrate addition measured after 2 mins by spectrophotometric ...				J Med Chem 56: 3980-95 (2013) Article DOI: 10.1021/jm400225m BindingDB Entry DOI: 10.7270/Q2RX9DFZ
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50432610 (CHEMBL2347202) Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F |r,t:2| Show InChI InChI=1S/C16H13ClF5N5O2/c1-15(16(21,22)6-29-14(23)25-15)8-4-7(2-3-10(8)18)24-12(28)11-9(17)5-27(26-11)13(19)20/h2-5,13H,6H2,1H3,(H2,23,25)(H,24,28)/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human BACE2 using MR121-labeled substrate incubated for 4 mins prior to substrate addition measured after 2 mins by spectrophotometric ...				J Med Chem 56: 3980-95 (2013) Article DOI: 10.1021/jm400225m BindingDB Entry DOI: 10.7270/Q2RX9DFZ
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477138 (CHEMBL400637) Show SMILES CC(C(=O)NC1CCc2ccccc12)C(=O)NC1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C28H27N3O3/c1-17(26(32)29-23-16-15-18-9-3-4-10-19(18)23)27(33)30-25-22-13-6-5-11-20(22)21-12-7-8-14-24(21)31(2)28(25)34/h3-14,17,23,25H,15-16H2,1-2H3,(H,29,32)(H,30,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase assessed as amyloid-beta40 peptide production in HEK293 cells by ELISA				Bioorg Med Chem Lett 17: 5918-23 (2007) Article DOI: 10.1016/j.bmcl.2007.07.078 BindingDB Entry DOI: 10.7270/Q28S4SNK
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50432619 (CHEMBL2347193) Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,t:2| Show InChI InChI=1S/C17H13Cl2F3N4O2/c1-16(17(21,22)7-28-15(23)26-16)10-5-9(2-3-12(10)20)25-14(27)13-11(19)4-8(18)6-24-13/h2-6H,7H2,1H3,(H2,23,26)(H,25,27)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human BACE2 using MR121-labeled substrate incubated for 4 mins prior to substrate addition measured after 2 mins by spectrophotometric ...				J Med Chem 56: 3980-95 (2013) Article DOI: 10.1021/jm400225m BindingDB Entry DOI: 10.7270/Q2RX9DFZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50432601 (CHEMBL2347208 | US9296734, 102) Show SMILES C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:6| Show InChI InChI=1S/C19H15F4N5O2/c1-18(7-15(19(21,22)23)30-17(25)28-18)12-6-11(3-4-13(12)20)27-16(29)14-5-2-10(8-24)9-26-14/h2-6,9,15H,7H2,1H3,(H2,25,28)(H,27,29)/t15-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human BACE1 using MR121-labeled substrate incubated for 4 mins prior to substrate addition measured after 2 mins by spectrophotometric ...				J Med Chem 56: 3980-95 (2013) Article DOI: 10.1021/jm400225m BindingDB Entry DOI: 10.7270/Q2RX9DFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50432619 (CHEMBL2347193) Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,t:2| Show InChI InChI=1S/C17H13Cl2F3N4O2/c1-16(17(21,22)7-28-15(23)26-16)10-5-9(2-3-12(10)20)25-14(27)13-11(19)4-8(18)6-24-13/h2-6H,7H2,1H3,(H2,23,26)(H,25,27)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human BACE1 in HEK293 cells transfected with wild type APP assessed as reduction of amyloid beta40 level after 18 to 20 hrs by AlphaLIS...				J Med Chem 56: 3980-95 (2013) Article DOI: 10.1021/jm400225m BindingDB Entry DOI: 10.7270/Q2RX9DFZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50432602 (CHEMBL2347188) Show SMILES C[C@@]1(N=C(N)O[C@@H]([C@@H]1F)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2| Show InChI InChI=1S/C19H14F5N5O2/c1-18(14(21)15(19(22,23)24)31-17(26)29-18)11-6-10(3-4-12(11)20)28-16(30)13-5-2-9(7-25)8-27-13/h2-6,8,14-15H,1H3,(H2,26,29)(H,28,30)/t14-,15-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human BACE1 using MR121-labeled substrate incubated for 4 mins prior to substrate addition measured after 2 mins by spectrophotometric ...				J Med Chem 56: 3980-95 (2013) Article DOI: 10.1021/jm400225m BindingDB Entry DOI: 10.7270/Q2RX9DFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50432629 (CHEMBL2347214) Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,t:2| Show InChI InChI=1S/C17H14F4N4O2/c1-16(17(20,21)8-27-15(22)25-16)11-6-10(3-4-12(11)19)24-14(26)13-5-2-9(18)7-23-13/h2-7H,8H2,1H3,(H2,22,25)(H,24,26)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human BACE1 in HEK293 cells transfected with wild type APP assessed as reduction of amyloid beta40 level after 18 to 20 hrs by AlphaLIS...				J Med Chem 56: 3980-95 (2013) Article DOI: 10.1021/jm400225m BindingDB Entry DOI: 10.7270/Q2RX9DFZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50432610 (CHEMBL2347202) Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F |r,t:2| Show InChI InChI=1S/C16H13ClF5N5O2/c1-15(16(21,22)6-29-14(23)25-15)8-4-7(2-3-10(8)18)24-12(28)11-9(17)5-27(26-11)13(19)20/h2-5,13H,6H2,1H3,(H2,23,25)(H,24,28)/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human BACE1 in HEK293 cells transfected with wild type APP assessed as reduction of amyloid beta40 level after 18 to 20 hrs by AlphaLIS...				J Med Chem 56: 3980-95 (2013) Article DOI: 10.1021/jm400225m BindingDB Entry DOI: 10.7270/Q2RX9DFZ
					More data for this Ligand-Target Pair

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