Compile Data Set for Download or QSAR

Found 1124 hits with Last Name = 'yamasaki' and Initial = 's'   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM149937 (US8975415, 219 | US9242973, 219) Show SMILES CC1(C)Oc2ccc(NC(=O)c3ccc(Br)cn3)cc2[C@@]2(COC(N)=N2)C11COC1 |r,c:26| Show InChI InChI=1S/C21H21BrN4O4/c1-19(2)20(9-28-10-20)21(11-29-18(23)26-21)14-7-13(4-6-16(14)30-19)25-17(27)15-5-3-12(22)8-24-15/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,27)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	10.2	-45.6	44.4	n/a	n/a	n/a	n/a	4.4	25
COMENTIS, INC. US Patent					Assay Description Test Example 1: Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experi...				US Patent US9242973 (2016) BindingDB Entry DOI: 10.7270/Q29W0D9C
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149937 (US8975415, 219 | US9242973, 219) Show SMILES CC1(C)Oc2ccc(NC(=O)c3ccc(Br)cn3)cc2[C@@]2(COC(N)=N2)C11COC1 |r,c:26| Show InChI InChI=1S/C21H21BrN4O4/c1-19(2)20(9-28-10-20)21(11-29-18(23)26-21)14-7-13(4-6-16(14)30-19)25-17(27)15-5-3-12(22)8-24-15/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,27)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	10.2	n/a	44.4	n/a	n/a	n/a	n/a	n/a	n/a
CoMentis, Inc. US Patent					Assay Description Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experiments were perfo...				US Patent US8975415 (2015) BindingDB Entry DOI: 10.7270/Q2SB44GN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149936 (US8975415, 218 | US9242973, 218) Show SMILES CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2[C@@]2(COC(N)=N2)C11COC1 |r,c:26| Show InChI InChI=1S/C21H21ClN4O4/c1-19(2)20(9-28-10-20)21(11-29-18(23)26-21)14-7-13(4-6-16(14)30-19)25-17(27)15-5-3-12(22)8-24-15/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,27)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	10.3	-45.6	44.7	n/a	n/a	n/a	n/a	4.4	25
COMENTIS, INC. US Patent					Assay Description Test Example 1: Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experi...				US Patent US9242973 (2016) BindingDB Entry DOI: 10.7270/Q29W0D9C
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149936 (US8975415, 218 | US9242973, 218) Show SMILES CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2[C@@]2(COC(N)=N2)C11COC1 |r,c:26| Show InChI InChI=1S/C21H21ClN4O4/c1-19(2)20(9-28-10-20)21(11-29-18(23)26-21)14-7-13(4-6-16(14)30-19)25-17(27)15-5-3-12(22)8-24-15/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,27)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	10.3	n/a	44.7	n/a	n/a	n/a	n/a	n/a	n/a
CoMentis, Inc. US Patent					Assay Description Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experiments were perfo...				US Patent US8975415 (2015) BindingDB Entry DOI: 10.7270/Q2SB44GN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149939 (US8975415, 221 | US9242973, 221) Show SMILES CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2[C@@]2(COC(N)=N2)C11CC1 |r,c:26| Show InChI InChI=1S/C21H21ClN4O3/c1-19(2)20(7-8-20)21(11-28-18(23)26-21)14-9-13(4-6-16(14)29-19)25-17(27)15-5-3-12(22)10-24-15/h3-6,9-10H,7-8,11H2,1-2H3,(H2,23,26)(H,25,27)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	37.8	-42.4	81.8	n/a	n/a	n/a	n/a	4.4	25
COMENTIS, INC. US Patent					Assay Description Test Example 1: Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experi...				US Patent US9242973 (2016) BindingDB Entry DOI: 10.7270/Q29W0D9C
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149939 (US8975415, 221 | US9242973, 221) Show SMILES CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2[C@@]2(COC(N)=N2)C11CC1 |r,c:26| Show InChI InChI=1S/C21H21ClN4O3/c1-19(2)20(7-8-20)21(11-28-18(23)26-21)14-9-13(4-6-16(14)29-19)25-17(27)15-5-3-12(22)10-24-15/h3-6,9-10H,7-8,11H2,1-2H3,(H2,23,26)(H,25,27)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	37.8	n/a	81.8	n/a	n/a	n/a	n/a	n/a	n/a
CoMentis, Inc. US Patent					Assay Description Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experiments were perfo...				US Patent US8975415 (2015) BindingDB Entry DOI: 10.7270/Q2SB44GN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149749 (US8975415, 27 | US9242973, 27) Show SMILES CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2C2(COC(N)=N2)C11COC1 |c:26| Show InChI InChI=1S/C21H21ClN4O4/c1-19(2)20(9-28-10-20)21(11-29-18(23)26-21)14-7-13(4-6-16(14)30-19)25-17(27)15-5-3-12(22)8-24-15/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	38.2	n/a	82.2	n/a	n/a	n/a	n/a	n/a	n/a
CoMentis, Inc. US Patent					Assay Description Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experiments were perfo...				US Patent US8975415 (2015) BindingDB Entry DOI: 10.7270/Q2SB44GN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149749 (US8975415, 27 | US9242973, 27) Show SMILES CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2C2(COC(N)=N2)C11COC1 |c:26| Show InChI InChI=1S/C21H21ClN4O4/c1-19(2)20(9-28-10-20)21(11-29-18(23)26-21)14-7-13(4-6-16(14)30-19)25-17(27)15-5-3-12(22)8-24-15/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	38.2	-42.3	82.2	n/a	n/a	n/a	n/a	4.4	25
COMENTIS, INC. US Patent					Assay Description Test Example 1: Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experi...				US Patent US9242973 (2016) BindingDB Entry DOI: 10.7270/Q29W0D9C
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149938 (US8975415, 220 | US9242973, 220) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc2OC(C)(C)C3(COC3)[C@]3(COC(N)=N3)c2c1 |r,c:29| Show InChI InChI=1S/C21H23N5O5/c1-19(2)20(9-29-10-20)21(11-30-18(22)26-21)13-6-12(4-5-15(13)31-19)25-17(27)14-7-24-16(28-3)8-23-14/h4-8H,9-11H2,1-3H3,(H2,22,26)(H,25,27)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	42.9	-42.1	76.5	n/a	n/a	n/a	n/a	4.4	25
COMENTIS, INC. US Patent					Assay Description Test Example 1: Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experi...				US Patent US9242973 (2016) BindingDB Entry DOI: 10.7270/Q29W0D9C
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149938 (US8975415, 220 | US9242973, 220) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc2OC(C)(C)C3(COC3)[C@]3(COC(N)=N3)c2c1 |r,c:29| Show InChI InChI=1S/C21H23N5O5/c1-19(2)20(9-29-10-20)21(11-30-18(22)26-21)13-6-12(4-5-15(13)31-19)25-17(27)14-7-24-16(28-3)8-23-14/h4-8H,9-11H2,1-3H3,(H2,22,26)(H,25,27)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	42.9	n/a	76.5	n/a	n/a	n/a	n/a	n/a	n/a
CoMentis, Inc. US Patent					Assay Description Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experiments were perfo...				US Patent US8975415 (2015) BindingDB Entry DOI: 10.7270/Q2SB44GN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149752 (US8975415, 30 | US9242973, 30) Show SMILES CC1(C)Oc2ccc(NC(=O)c3ncc(Cl)cc3F)cc2C2(COC(N)=N2)C11COC1 |c:27| Show InChI InChI=1S/C21H20ClFN4O4/c1-19(2)20(8-29-9-20)21(10-30-18(24)27-21)13-6-12(3-4-15(13)31-19)26-17(28)16-14(23)5-11(22)7-25-16/h3-7H,8-10H2,1-2H3,(H2,24,27)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	51.5	n/a	97.5	n/a	n/a	n/a	n/a	n/a	n/a
CoMentis, Inc. US Patent					Assay Description Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experiments were perfo...				US Patent US8975415 (2015) BindingDB Entry DOI: 10.7270/Q2SB44GN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149752 (US8975415, 30 | US9242973, 30) Show SMILES CC1(C)Oc2ccc(NC(=O)c3ncc(Cl)cc3F)cc2C2(COC(N)=N2)C11COC1 |c:27| Show InChI InChI=1S/C21H20ClFN4O4/c1-19(2)20(8-29-9-20)21(10-30-18(24)27-21)13-6-12(3-4-15(13)31-19)26-17(28)16-14(23)5-11(22)7-25-16/h3-7H,8-10H2,1-2H3,(H2,24,27)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	51.5	-41.6	97.5	n/a	n/a	n/a	n/a	4.4	25
COMENTIS, INC. US Patent					Assay Description Test Example 1: Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experi...				US Patent US9242973 (2016) BindingDB Entry DOI: 10.7270/Q29W0D9C
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149942 (US8975415, 224 | US9242973, 224) Show SMILES CC1(C)Oc2ccc(NC(=O)c3cnc(cn3)C(F)F)cc2[C@@]2(COC(N)=N2)C11CC1 |r,c:28| Show InChI InChI=1S/C21H21F2N5O3/c1-19(2)20(5-6-20)21(10-30-18(24)28-21)12-7-11(3-4-15(12)31-19)27-17(29)14-9-25-13(8-26-14)16(22)23/h3-4,7-9,16H,5-6,10H2,1-2H3,(H2,24,28)(H,27,29)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	52.7	n/a	91.4	n/a	n/a	n/a	n/a	n/a	n/a
CoMentis, Inc. US Patent					Assay Description Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experiments were perfo...				US Patent US8975415 (2015) BindingDB Entry DOI: 10.7270/Q2SB44GN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149942 (US8975415, 224 | US9242973, 224) Show SMILES CC1(C)Oc2ccc(NC(=O)c3cnc(cn3)C(F)F)cc2[C@@]2(COC(N)=N2)C11CC1 |r,c:28| Show InChI InChI=1S/C21H21F2N5O3/c1-19(2)20(5-6-20)21(10-30-18(24)28-21)12-7-11(3-4-15(12)31-19)27-17(29)14-9-25-13(8-26-14)16(22)23/h3-4,7-9,16H,5-6,10H2,1-2H3,(H2,24,28)(H,27,29)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	52.7	-41.5	91.4	n/a	n/a	n/a	n/a	4.4	25
COMENTIS, INC. US Patent					Assay Description Test Example 1: Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experi...				US Patent US9242973 (2016) BindingDB Entry DOI: 10.7270/Q29W0D9C
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149941 (US8975415, 223 | US9242973, 223) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc2OC(C)(C)C3(CC3)[C@]3(COC(N)=N3)c2c1 |r,c:28| Show InChI InChI=1S/C21H23N5O4/c1-19(2)20(6-7-20)21(11-29-18(22)26-21)13-8-12(4-5-15(13)30-19)25-17(27)14-9-24-16(28-3)10-23-14/h4-5,8-10H,6-7,11H2,1-3H3,(H2,22,26)(H,25,27)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	61.2	n/a	99.1	n/a	n/a	n/a	n/a	n/a	n/a
CoMentis, Inc. US Patent					Assay Description Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experiments were perfo...				US Patent US8975415 (2015) BindingDB Entry DOI: 10.7270/Q2SB44GN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149941 (US8975415, 223 | US9242973, 223) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc2OC(C)(C)C3(CC3)[C@]3(COC(N)=N3)c2c1 |r,c:28| Show InChI InChI=1S/C21H23N5O4/c1-19(2)20(6-7-20)21(11-29-18(22)26-21)13-8-12(4-5-15(13)30-19)25-17(27)14-9-24-16(28-3)10-23-14/h4-5,8-10H,6-7,11H2,1-3H3,(H2,22,26)(H,25,27)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	61.2	-41.2	99.1	n/a	n/a	n/a	n/a	4.4	25
COMENTIS, INC. US Patent					Assay Description Test Example 1: Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experi...				US Patent US9242973 (2016) BindingDB Entry DOI: 10.7270/Q29W0D9C
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149914 (US8975415, RP195 | US9242973, 195) Show SMILES Cc1cc(Cl)cnc1C(=O)Nc1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 |c:29| Show InChI InChI=1S/C22H23ClN4O4/c1-12-6-13(23)8-25-17(12)18(28)26-14-4-5-16-15(7-14)22(11-30-19(24)27-22)21(9-29-10-21)20(2,3)31-16/h4-8H,9-11H2,1-3H3,(H2,24,27)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	64.5	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
CoMentis, Inc. US Patent					Assay Description Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experiments were perfo...				US Patent US8975415 (2015) BindingDB Entry DOI: 10.7270/Q2SB44GN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149914 (US8975415, RP195 | US9242973, 195) Show SMILES Cc1cc(Cl)cnc1C(=O)Nc1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 |c:29| Show InChI InChI=1S/C22H23ClN4O4/c1-12-6-13(23)8-25-17(12)18(28)26-14-4-5-16-15(7-14)22(11-30-19(24)27-22)21(9-29-10-21)20(2,3)31-16/h4-8H,9-11H2,1-3H3,(H2,24,27)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	64.5	-41.0	109	n/a	n/a	n/a	n/a	4.4	25
COMENTIS, INC. US Patent					Assay Description Test Example 1: Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experi...				US Patent US9242973 (2016) BindingDB Entry DOI: 10.7270/Q29W0D9C
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149920 (US8975415, RP201 | US8975415, RP203 | US9242973, R...) Show SMILES CC#Cc1cncc(c1)-c1ccc2OC(Cc3ccccc3)C3(COC3)C3(COC(N)=N3)c2c1 |c:33| Show InChI InChI=1S/C28H25N3O3/c1-2-6-20-11-22(15-30-14-20)21-9-10-24-23(13-21)28(18-33-26(29)31-28)27(16-32-17-27)25(34-24)12-19-7-4-3-5-8-19/h3-5,7-11,13-15,25H,12,16-18H2,1H3,(H2,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	67.6	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
CoMentis, Inc. US Patent					Assay Description Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experiments were perfo...				US Patent US8975415 (2015) BindingDB Entry DOI: 10.7270/Q2SB44GN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149920 (US8975415, RP201 | US8975415, RP203 | US9242973, R...) Show SMILES CC#Cc1cncc(c1)-c1ccc2OC(Cc3ccccc3)C3(COC3)C3(COC(N)=N3)c2c1 |c:33| Show InChI InChI=1S/C28H25N3O3/c1-2-6-20-11-22(15-30-14-20)21-9-10-24-23(13-21)28(18-33-26(29)31-28)27(16-32-17-27)25(34-24)12-19-7-4-3-5-8-19/h3-5,7-11,13-15,25H,12,16-18H2,1H3,(H2,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	67.6	-40.9	109	n/a	n/a	n/a	n/a	4.4	25
COMENTIS, INC. US Patent					Assay Description Test Example 1: Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experi...				US Patent US9242973 (2016) BindingDB Entry DOI: 10.7270/Q29W0D9C
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149920 (US8975415, RP201 | US8975415, RP203 | US9242973, R...) Show SMILES CC#Cc1cncc(c1)-c1ccc2OC(Cc3ccccc3)C3(COC3)C3(COC(N)=N3)c2c1 |c:33| Show InChI InChI=1S/C28H25N3O3/c1-2-6-20-11-22(15-30-14-20)21-9-10-24-23(13-21)28(18-33-26(29)31-28)27(16-32-17-27)25(34-24)12-19-7-4-3-5-8-19/h3-5,7-11,13-15,25H,12,16-18H2,1H3,(H2,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	71.1	n/a	113	n/a	n/a	n/a	n/a	n/a	n/a
CoMentis, Inc. US Patent					Assay Description Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experiments were perfo...				US Patent US8975415 (2015) BindingDB Entry DOI: 10.7270/Q2SB44GN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149920 (US8975415, RP201 | US8975415, RP203 | US9242973, R...) Show SMILES CC#Cc1cncc(c1)-c1ccc2OC(Cc3ccccc3)C3(COC3)C3(COC(N)=N3)c2c1 |c:33| Show InChI InChI=1S/C28H25N3O3/c1-2-6-20-11-22(15-30-14-20)21-9-10-24-23(13-21)28(18-33-26(29)31-28)27(16-32-17-27)25(34-24)12-19-7-4-3-5-8-19/h3-5,7-11,13-15,25H,12,16-18H2,1H3,(H2,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	71.1	-40.8	113	n/a	n/a	n/a	n/a	4.4	25
COMENTIS, INC. US Patent					Assay Description Test Example 1: Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experi...				US Patent US9242973 (2016) BindingDB Entry DOI: 10.7270/Q29W0D9C
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149916 (US8975415, RP197 | US9242973, 197) Show SMILES CC1(C)Oc2ccc(NC(=O)c3ccc(cn3)C#N)cc2C2(COC(N)=N2)C11COC1 |c:27| Show InChI InChI=1S/C22H21N5O4/c1-20(2)21(10-29-11-21)22(12-30-19(24)27-22)15-7-14(4-6-17(15)31-20)26-18(28)16-5-3-13(8-23)9-25-16/h3-7,9H,10-12H2,1-2H3,(H2,24,27)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	72	-40.8	118	n/a	n/a	n/a	n/a	4.4	25
COMENTIS, INC. US Patent					Assay Description Test Example 1: Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experi...				US Patent US9242973 (2016) BindingDB Entry DOI: 10.7270/Q29W0D9C
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149916 (US8975415, RP197 | US9242973, 197) Show SMILES CC1(C)Oc2ccc(NC(=O)c3ccc(cn3)C#N)cc2C2(COC(N)=N2)C11COC1 |c:27| Show InChI InChI=1S/C22H21N5O4/c1-20(2)21(10-29-11-21)22(12-30-19(24)27-22)15-7-14(4-6-17(15)31-20)26-18(28)16-5-3-13(8-23)9-25-16/h3-7,9H,10-12H2,1-2H3,(H2,24,27)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	72	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
CoMentis, Inc. US Patent					Assay Description Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experiments were perfo...				US Patent US8975415 (2015) BindingDB Entry DOI: 10.7270/Q2SB44GN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149943 (US8975415, 227 | US9242973, 227) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 |c:29| Show InChI InChI=1S/C21H23N5O5/c1-19(2)20(9-29-10-20)21(11-30-18(22)26-21)13-6-12(4-5-15(13)31-19)25-17(27)14-7-24-16(28-3)8-23-14/h4-8H,9-11H2,1-3H3,(H2,22,26)(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	79.2	-40.5	107	n/a	n/a	n/a	n/a	4.4	25
COMENTIS, INC. US Patent					Assay Description Test Example 1: Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experi...				US Patent US9242973 (2016) BindingDB Entry DOI: 10.7270/Q29W0D9C
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149943 (US8975415, 227 | US9242973, 227) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 |c:29| Show InChI InChI=1S/C21H23N5O5/c1-19(2)20(9-29-10-20)21(11-30-18(22)26-21)13-6-12(4-5-15(13)31-19)25-17(27)14-7-24-16(28-3)8-23-14/h4-8H,9-11H2,1-3H3,(H2,22,26)(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	79.2	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
CoMentis, Inc. US Patent					Assay Description Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experiments were perfo...				US Patent US8975415 (2015) BindingDB Entry DOI: 10.7270/Q2SB44GN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149924 (US8975415, RP205 | US9242973, RP205) Show SMILES CC#Cc1cncc(c1)-c1ccc2OC(CC3CC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:30| Show InChI InChI=1S/C25H25N3O3/c1-2-3-17-8-19(12-27-11-17)18-6-7-21-20(10-18)25(15-30-23(26)28-25)24(13-29-14-24)22(31-21)9-16-4-5-16/h6-8,10-12,16,22H,4-5,9,13-15H2,1H3,(H2,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	82.5	-40.4	126	n/a	n/a	n/a	n/a	4.4	25
COMENTIS, INC. US Patent					Assay Description Test Example 1: Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experi...				US Patent US9242973 (2016) BindingDB Entry DOI: 10.7270/Q29W0D9C
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149924 (US8975415, RP205 | US9242973, RP205) Show SMILES CC#Cc1cncc(c1)-c1ccc2OC(CC3CC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:30| Show InChI InChI=1S/C25H25N3O3/c1-2-3-17-8-19(12-27-11-17)18-6-7-21-20(10-18)25(15-30-23(26)28-25)24(13-29-14-24)22(31-21)9-16-4-5-16/h6-8,10-12,16,22H,4-5,9,13-15H2,1H3,(H2,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	82.5	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
CoMentis, Inc. US Patent					Assay Description Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experiments were perfo...				US Patent US8975415 (2015) BindingDB Entry DOI: 10.7270/Q2SB44GN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149909 (US8975415, RP190 | US9242973, 190) Show SMILES CC1(C)Oc2ccc(NC(=O)c3ncc(Br)cn3)cc2C2(COC(N)=N2)C11COC1 |c:26| Show InChI InChI=1S/C20H20BrN5O4/c1-18(2)19(8-28-9-19)20(10-29-17(22)26-20)13-5-12(3-4-14(13)30-18)25-16(27)15-23-6-11(21)7-24-15/h3-7H,8-10H2,1-2H3,(H2,22,26)(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	83.5	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
CoMentis, Inc. US Patent					Assay Description Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experiments were perfo...				US Patent US8975415 (2015) BindingDB Entry DOI: 10.7270/Q2SB44GN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149909 (US8975415, RP190 | US9242973, 190) Show SMILES CC1(C)Oc2ccc(NC(=O)c3ncc(Br)cn3)cc2C2(COC(N)=N2)C11COC1 |c:26| Show InChI InChI=1S/C20H20BrN5O4/c1-18(2)19(8-28-9-19)20(10-29-17(22)26-20)13-5-12(3-4-14(13)30-18)25-16(27)15-23-6-11(21)7-24-15/h3-7H,8-10H2,1-2H3,(H2,22,26)(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	83.5	-40.4	125	n/a	n/a	n/a	n/a	4.4	25
COMENTIS, INC. US Patent					Assay Description Test Example 1: Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experi...				US Patent US9242973 (2016) BindingDB Entry DOI: 10.7270/Q29W0D9C
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149811 (US8975415, RP92 | US9242973, RP92) Show SMILES CCCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncc(c1)C#CC |c:16| Show InChI InChI=1S/C24H25N3O3/c1-3-5-16-9-18(12-26-11-16)17-7-8-20-19(10-17)24(15-29-22(25)27-24)23(13-28-14-23)21(30-20)6-4-2/h7-12,21H,4,6,13-15H2,1-2H3,(H2,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	87.9	n/a	124	n/a	n/a	n/a	n/a	n/a	n/a
CoMentis, Inc. US Patent					Assay Description Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experiments were perfo...				US Patent US8975415 (2015) BindingDB Entry DOI: 10.7270/Q2SB44GN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149811 (US8975415, RP92 | US9242973, RP92) Show SMILES CCCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncc(c1)C#CC |c:16| Show InChI InChI=1S/C24H25N3O3/c1-3-5-16-9-18(12-26-11-16)17-7-8-20-19(10-17)24(15-29-22(25)27-24)23(13-28-14-23)21(30-20)6-4-2/h7-12,21H,4,6,13-15H2,1-2H3,(H2,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	87.9	-40.3	124	n/a	n/a	n/a	n/a	4.4	25
COMENTIS, INC. US Patent					Assay Description Test Example 1: Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experi...				US Patent US9242973 (2016) BindingDB Entry DOI: 10.7270/Q29W0D9C
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149829 (US8975415, RP110 | US9242973, RP110) Show SMILES CC#Cc1cncc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 |c:27| Show InChI InChI=1S/C23H23N3O3/c1-4-5-15-8-17(11-25-10-15)16-6-7-19-18(9-16)23(14-28-20(24)26-23)22(12-27-13-22)21(2,3)29-19/h6-11H,12-14H2,1-3H3,(H2,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	90.4	-40.2	137	n/a	n/a	n/a	n/a	4.4	25
COMENTIS, INC. US Patent					Assay Description Test Example 1: Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experi...				US Patent US9242973 (2016) BindingDB Entry DOI: 10.7270/Q29W0D9C
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149829 (US8975415, RP110 | US9242973, RP110) Show SMILES CC#Cc1cncc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 |c:27| Show InChI InChI=1S/C23H23N3O3/c1-4-5-15-8-17(11-25-10-15)16-6-7-19-18(9-16)23(14-28-20(24)26-23)22(12-27-13-22)21(2,3)29-19/h6-11H,12-14H2,1-3H3,(H2,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	90.4	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
CoMentis, Inc. US Patent					Assay Description Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experiments were perfo...				US Patent US8975415 (2015) BindingDB Entry DOI: 10.7270/Q2SB44GN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149940 (US8975415, 222 | US9242973, 222) Show SMILES CC1(C)Oc2ccc(NC(=O)c3ccc(F)cn3)cc2[C@@]2(COC(N)=N2)C11CC1 |r,c:26| Show InChI InChI=1S/C21H21FN4O3/c1-19(2)20(7-8-20)21(11-28-18(23)26-21)14-9-13(4-6-16(14)29-19)25-17(27)15-5-3-12(22)10-24-15/h3-6,9-10H,7-8,11H2,1-2H3,(H2,23,26)(H,25,27)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	91.5	-40.2	138	n/a	n/a	n/a	n/a	4.4	25
COMENTIS, INC. US Patent					Assay Description Test Example 1: Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experi...				US Patent US9242973 (2016) BindingDB Entry DOI: 10.7270/Q29W0D9C
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149940 (US8975415, 222 | US9242973, 222) Show SMILES CC1(C)Oc2ccc(NC(=O)c3ccc(F)cn3)cc2[C@@]2(COC(N)=N2)C11CC1 |r,c:26| Show InChI InChI=1S/C21H21FN4O3/c1-19(2)20(7-8-20)21(11-28-18(23)26-21)14-9-13(4-6-16(14)29-19)25-17(27)15-5-3-12(22)10-24-15/h3-6,9-10H,7-8,11H2,1-2H3,(H2,23,26)(H,25,27)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	91.5	n/a	138	n/a	n/a	n/a	n/a	n/a	n/a
CoMentis, Inc. US Patent					Assay Description Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experiments were perfo...				US Patent US8975415 (2015) BindingDB Entry DOI: 10.7270/Q2SB44GN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149919 (US8975415, RP200 | US8975415, RP202 | US9242973, R...) Show SMILES NC1=NC2(CO1)c1cc(ccc1OC(Cc1ccccc1)C21COC1)-c1cncnc1 |t:1| Show InChI InChI=1S/C24H22N4O3/c25-22-28-24(14-30-22)19-9-17(18-10-26-15-27-11-18)6-7-20(19)31-21(23(24)12-29-13-23)8-16-4-2-1-3-5-16/h1-7,9-11,15,21H,8,12-14H2,(H2,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	92.1	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
CoMentis, Inc. US Patent					Assay Description Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experiments were perfo...				US Patent US8975415 (2015) BindingDB Entry DOI: 10.7270/Q2SB44GN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149919 (US8975415, RP200 | US8975415, RP202 | US9242973, R...) Show SMILES NC1=NC2(CO1)c1cc(ccc1OC(Cc1ccccc1)C21COC1)-c1cncnc1 |t:1| Show InChI InChI=1S/C24H22N4O3/c25-22-28-24(14-30-22)19-9-17(18-10-26-15-27-11-18)6-7-20(19)31-21(23(24)12-29-13-23)8-16-4-2-1-3-5-16/h1-7,9-11,15,21H,8,12-14H2,(H2,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	92.1	-40.2	128	n/a	n/a	n/a	n/a	4.4	25
COMENTIS, INC. US Patent					Assay Description Test Example 1: Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experi...				US Patent US9242973 (2016) BindingDB Entry DOI: 10.7270/Q29W0D9C
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149805 (US8975415, RP86 | US9242973, RP86) Show SMILES CCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncc(c1)C#CC |c:15| Show InChI InChI=1S/C23H23N3O3/c1-3-5-15-8-17(11-25-10-15)16-6-7-19-18(9-16)23(14-28-21(24)26-23)22(12-27-13-22)20(4-2)29-19/h6-11,20H,4,12-14H2,1-2H3,(H2,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	107	-39.8	143	n/a	n/a	n/a	n/a	4.4	25
COMENTIS, INC. US Patent					Assay Description Test Example 1: Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experi...				US Patent US9242973 (2016) BindingDB Entry DOI: 10.7270/Q29W0D9C
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149805 (US8975415, RP86 | US9242973, RP86) Show SMILES CCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncc(c1)C#CC |c:15| Show InChI InChI=1S/C23H23N3O3/c1-3-5-15-8-17(11-25-10-15)16-6-7-19-18(9-16)23(14-28-21(24)26-23)22(12-27-13-22)20(4-2)29-19/h6-11,20H,4,12-14H2,1-2H3,(H2,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	107	n/a	143	n/a	n/a	n/a	n/a	n/a	n/a
CoMentis, Inc. US Patent					Assay Description Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experiments were perfo...				US Patent US8975415 (2015) BindingDB Entry DOI: 10.7270/Q2SB44GN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149919 (US8975415, RP200 | US8975415, RP202 | US9242973, R...) Show SMILES NC1=NC2(CO1)c1cc(ccc1OC(Cc1ccccc1)C21COC1)-c1cncnc1 |t:1| Show InChI InChI=1S/C24H22N4O3/c25-22-28-24(14-30-22)19-9-17(18-10-26-15-27-11-18)6-7-20(19)31-21(23(24)12-29-13-23)8-16-4-2-1-3-5-16/h1-7,9-11,15,21H,8,12-14H2,(H2,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	113	-39.7	145	n/a	n/a	n/a	n/a	4.4	25
COMENTIS, INC. US Patent					Assay Description Test Example 1: Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experi...				US Patent US9242973 (2016) BindingDB Entry DOI: 10.7270/Q29W0D9C
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149919 (US8975415, RP200 | US8975415, RP202 | US9242973, R...) Show SMILES NC1=NC2(CO1)c1cc(ccc1OC(Cc1ccccc1)C21COC1)-c1cncnc1 |t:1| Show InChI InChI=1S/C24H22N4O3/c25-22-28-24(14-30-22)19-9-17(18-10-26-15-27-11-18)6-7-20(19)31-21(23(24)12-29-13-23)8-16-4-2-1-3-5-16/h1-7,9-11,15,21H,8,12-14H2,(H2,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	113	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
CoMentis, Inc. US Patent					Assay Description Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experiments were perfo...				US Patent US8975415 (2015) BindingDB Entry DOI: 10.7270/Q2SB44GN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149750 (US8975415, 28 | US9242973, 28) Show SMILES CC1(C)Oc2ccc(NC(=O)c3ccc(F)cn3)cc2C2(COC(N)=N2)C11COC1 |c:26| Show InChI InChI=1S/C21H21FN4O4/c1-19(2)20(9-28-10-20)21(11-29-18(23)26-21)14-7-13(4-6-16(14)30-19)25-17(27)15-5-3-12(22)8-24-15/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	117	-39.6	154	n/a	n/a	n/a	n/a	4.4	25
COMENTIS, INC. US Patent					Assay Description Test Example 1: Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experi...				US Patent US9242973 (2016) BindingDB Entry DOI: 10.7270/Q29W0D9C
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149750 (US8975415, 28 | US9242973, 28) Show SMILES CC1(C)Oc2ccc(NC(=O)c3ccc(F)cn3)cc2C2(COC(N)=N2)C11COC1 |c:26| Show InChI InChI=1S/C21H21FN4O4/c1-19(2)20(9-28-10-20)21(11-29-18(23)26-21)14-7-13(4-6-16(14)30-19)25-17(27)15-5-3-12(22)8-24-15/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	117	n/a	154	n/a	n/a	n/a	n/a	n/a	n/a
CoMentis, Inc. US Patent					Assay Description Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experiments were perfo...				US Patent US8975415 (2015) BindingDB Entry DOI: 10.7270/Q2SB44GN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149828 (US8975415, RP109 | US9242973, RP109) Show SMILES CC#Cc1cncc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:29| Show InChI InChI=1S/C24H23N3O3/c1-2-4-16-9-18(12-26-11-16)17-5-6-20-19(10-17)24(15-29-21(25)27-24)22(13-28-14-22)23(30-20)7-3-8-23/h5-6,9-12H,3,7-8,13-15H2,1H3,(H2,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	120	-39.5	152	n/a	n/a	n/a	n/a	4.4	25
COMENTIS, INC. US Patent					Assay Description Test Example 1: Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experi...				US Patent US9242973 (2016) BindingDB Entry DOI: 10.7270/Q29W0D9C
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149828 (US8975415, RP109 | US9242973, RP109) Show SMILES CC#Cc1cncc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:29| Show InChI InChI=1S/C24H23N3O3/c1-2-4-16-9-18(12-26-11-16)17-5-6-20-19(10-17)24(15-29-21(25)27-24)22(13-28-14-22)23(30-20)7-3-8-23/h5-6,9-12H,3,7-8,13-15H2,1H3,(H2,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	120	n/a	152	n/a	n/a	n/a	n/a	n/a	n/a
CoMentis, Inc. US Patent					Assay Description Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experiments were perfo...				US Patent US8975415 (2015) BindingDB Entry DOI: 10.7270/Q2SB44GN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149773 (US8975415, RP108 | US8975415, RP53b | US9242973, R...) Show SMILES CC#Cc1cncc(c1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 |c:25| Show InChI InChI=1S/C21H19N3O3/c1-2-3-14-6-16(9-23-8-14)15-4-5-18-17(7-15)21(13-27-19(22)24-21)20(12-26-18)10-25-11-20/h4-9H,10-13H2,1H3,(H2,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	123	-39.4	157	n/a	n/a	n/a	n/a	4.4	25
COMENTIS, INC. US Patent					Assay Description Test Example 1: Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experi...				US Patent US9242973 (2016) BindingDB Entry DOI: 10.7270/Q29W0D9C
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149773 (US8975415, RP108 | US8975415, RP53b | US9242973, R...) Show SMILES CC#Cc1cncc(c1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 |c:25| Show InChI InChI=1S/C21H19N3O3/c1-2-3-14-6-16(9-23-8-14)15-4-5-18-17(7-15)21(13-27-19(22)24-21)20(12-26-18)10-25-11-20/h4-9H,10-13H2,1H3,(H2,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	123	n/a	157	n/a	n/a	n/a	n/a	n/a	n/a
CoMentis, Inc. US Patent					Assay Description Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experiments were perfo...				US Patent US8975415 (2015) BindingDB Entry DOI: 10.7270/Q2SB44GN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149770 (US8975415, RP51a | US8975415, RP51b | US8975415, R...) Show SMILES CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 |c:15| Show InChI InChI=1S/C19H20N4O3/c1-17(2)18(8-24-9-18)19(10-25-16(20)23-19)14-5-12(3-4-15(14)26-17)13-6-21-11-22-7-13/h3-7,11H,8-10H2,1-2H3,(H2,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	137	-39.2	172	n/a	n/a	n/a	n/a	4.4	25
COMENTIS, INC. US Patent					Assay Description Test Example 1: Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experi...				US Patent US9242973 (2016) BindingDB Entry DOI: 10.7270/Q29W0D9C
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM149770 (US8975415, RP51a | US8975415, RP51b | US8975415, R...) Show SMILES CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 |c:15| Show InChI InChI=1S/C19H20N4O3/c1-17(2)18(8-24-9-18)19(10-25-16(20)23-19)14-5-12(3-4-15(14)26-17)13-6-21-11-22-7-13/h3-7,11H,8-10H2,1-2H3,(H2,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	137	n/a	172	n/a	n/a	n/a	n/a	n/a	n/a
CoMentis, Inc. US Patent					Assay Description Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experiments were perfo...				US Patent US8975415 (2015) BindingDB Entry DOI: 10.7270/Q2SB44GN
					More data for this Ligand-Target Pair

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