Compile Data Set for Download or QSAR

Found 290 hits with Last Name = 'travagli' and Initial = 'm'   

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 2 (Homo sapiens (Human))	BDBM202632 (US9242943, 41) Show SMILES C[C@]1(COCC(N)=N1)c1cc(Nc2ccccc2OCC(F)F)ccc1F |r,c:6| Show InChI InChI=1S/C19H20F3N3O2/c1-19(11-26-10-18(23)25-19)13-8-12(6-7-14(13)20)24-15-4-2-3-5-16(15)27-9-17(21)22/h2-8,17,24H,9-11H2,1H3,(H2,23,25)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM202636 (US9242943, 45) Show SMILES C[C@]1(COCC(N)=N1)c1cc(NCc2nn(cc2Cl)C(F)F)ccc1F |r,c:6| Show InChI InChI=1S/C16H17ClF3N5O/c1-16(8-26-7-14(21)23-16)10-4-9(2-3-12(10)18)22-5-13-11(17)6-25(24-13)15(19)20/h2-4,6,15,22H,5,7-8H2,1H3,(H2,21,23)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description DNA of the human APP wt gene (APP695) were used to assess the potency of the compounds in a cellular assay. The cells were seeded in 96-well microtit...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM202615 (US9242943, 24) Show SMILES CC1(COCC(N)=N1)c1cccc(Nc2cccc3cc(Cl)cnc23)c1 |c:6| Show InChI InChI=1S/C20H19ClN4O/c1-20(12-26-11-18(22)25-20)14-5-3-6-16(9-14)24-17-7-2-4-13-8-15(21)10-23-19(13)17/h2-10,24H,11-12H2,1H3,(H2,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM202619 (US9242943, 28) Show SMILES C[C@]1(COCC(N)=N1)c1cc(Nc2cc(F)cc3cc(Cl)cnc23)ccc1F |r,c:6| Show InChI InChI=1S/C20H17ClF2N4O/c1-20(10-28-9-18(24)27-20)15-7-14(2-3-16(15)23)26-17-6-13(22)5-11-4-12(21)8-25-19(11)17/h2-8,26H,9-10H2,1H3,(H2,24,27)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description DNA of the human APP wt gene (APP695) were used to assess the potency of the compounds in a cellular assay. The cells were seeded in 96-well microtit...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM202617 (US9242943, 26) Show SMILES C[C@]1(COCC(N)=N1)c1cc(Nc2cccc3cc(Cl)cnc23)ccc1F |r,c:6| Show InChI InChI=1S/C20H18ClFN4O/c1-20(11-27-10-18(23)26-20)15-8-14(5-6-16(15)22)25-17-4-2-3-12-7-13(21)9-24-19(12)17/h2-9,25H,10-11H2,1H3,(H2,23,26)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM202626 (US9242943, 35) Show SMILES C[C@@]1(COCC(N)=N1)c1cc(NC2CCc3cc(Cl)ccc23)ccc1F |r,c:6| Show InChI InChI=1S/C20H21ClFN3O/c1-20(11-26-10-19(23)25-20)16-9-14(4-6-17(16)22)24-18-7-2-12-8-13(21)3-5-15(12)18/h3-6,8-9,18,24H,2,7,10-11H2,1H3,(H2,23,25)/t18?,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description DNA of the human APP wt gene (APP695) were used to assess the potency of the compounds in a cellular assay. The cells were seeded in 96-well microtit...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM202628 (US9242943, 37) Show SMILES COc1cnc2c(Nc3cccc(c3)C3(C)COCC(N)=N3)cccc2c1 |c:21| Show InChI InChI=1S/C21H22N4O2/c1-21(13-27-12-19(22)25-21)15-6-4-7-16(10-15)24-18-8-3-5-14-9-17(26-2)11-23-20(14)18/h3-11,24H,12-13H2,1-2H3,(H2,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM202606 (US9242943, 15) Show SMILES C[C@]1(COCC(N)=N1)c1cc(NC2CCCC2)ccc1F |r,c:6| Show InChI InChI=1S/C16H22FN3O/c1-16(10-21-9-15(18)20-16)13-8-12(6-7-14(13)17)19-11-4-2-3-5-11/h6-8,11,19H,2-5,9-10H2,1H3,(H2,18,20)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description DNA of the human APP wt gene (APP695) were used to assess the potency of the compounds in a cellular assay. The cells were seeded in 96-well microtit...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM202612 (US9242943, 21) Show SMILES C[C@]1(COCC(N)=N1)c1cc(NCC2CC2)ccc1F |r,c:6| Show InChI InChI=1S/C15H20FN3O/c1-15(9-20-8-14(17)19-15)12-6-11(4-5-13(12)16)18-7-10-2-3-10/h4-6,10,18H,2-3,7-9H2,1H3,(H2,17,19)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description DNA of the human APP wt gene (APP695) were used to assess the potency of the compounds in a cellular assay. The cells were seeded in 96-well microtit...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM202617 (US9242943, 26) Show SMILES C[C@]1(COCC(N)=N1)c1cc(Nc2cccc3cc(Cl)cnc23)ccc1F |r,c:6| Show InChI InChI=1S/C20H18ClFN4O/c1-20(11-27-10-18(23)26-20)15-8-14(5-6-16(15)22)25-17-4-2-3-12-7-13(21)9-24-19(12)17/h2-9,25H,10-11H2,1H3,(H2,23,26)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description DNA of the human APP wt gene (APP695) were used to assess the potency of the compounds in a cellular assay. The cells were seeded in 96-well microtit...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM202606 (US9242943, 15) Show SMILES C[C@]1(COCC(N)=N1)c1cc(NC2CCCC2)ccc1F |r,c:6| Show InChI InChI=1S/C16H22FN3O/c1-16(10-21-9-15(18)20-16)13-8-12(6-7-14(13)17)19-11-4-2-3-5-11/h6-8,11,19H,2-5,9-10H2,1H3,(H2,18,20)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM202630 (US9242943, 39) Show SMILES CC1(COCC(N)=N1)c1cccc(NC2CCc3cc(Cl)ccc23)c1 |c:6| Show InChI InChI=1S/C20H22ClN3O/c1-20(12-25-11-19(22)24-20)14-3-2-4-16(10-14)23-18-8-5-13-9-15(21)6-7-17(13)18/h2-4,6-7,9-10,18,23H,5,8,11-12H2,1H3,(H2,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description DNA of the human APP wt gene (APP695) were used to assess the potency of the compounds in a cellular assay. The cells were seeded in 96-well microtit...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM202627 (US9242943, 36) Show SMILES CC1(COCC(N)=N1)c1cccc(Nc2cc(F)cc3cc(Cl)cnc23)c1 |c:6| Show InChI InChI=1S/C20H18ClFN4O/c1-20(11-27-10-18(23)26-20)13-3-2-4-16(7-13)25-17-8-15(22)6-12-5-14(21)9-24-19(12)17/h2-9,25H,10-11H2,1H3,(H2,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description DNA of the human APP wt gene (APP695) were used to assess the potency of the compounds in a cellular assay. The cells were seeded in 96-well microtit...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM202615 (US9242943, 24) Show SMILES CC1(COCC(N)=N1)c1cccc(Nc2cccc3cc(Cl)cnc23)c1 |c:6| Show InChI InChI=1S/C20H19ClN4O/c1-20(12-26-11-18(22)25-20)14-5-3-6-16(9-14)24-17-7-2-4-13-8-15(21)10-23-19(13)17/h2-10,24H,11-12H2,1H3,(H2,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description DNA of the human APP wt gene (APP695) were used to assess the potency of the compounds in a cellular assay. The cells were seeded in 96-well microtit...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM202605 (US9242943, 14) Show SMILES C[C@]1(COCC(N)=N1)c1cc(NC2CCC2)ccc1F |r,c:6| Show InChI InChI=1S/C15H20FN3O/c1-15(9-20-8-14(17)19-15)12-7-11(5-6-13(12)16)18-10-3-2-4-10/h5-7,10,18H,2-4,8-9H2,1H3,(H2,17,19)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description DNA of the human APP wt gene (APP695) were used to assess the potency of the compounds in a cellular assay. The cells were seeded in 96-well microtit...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM202620 (US9242943, 29) Show SMILES C[C@]1(COCC(N)=N1)c1cc(Nc2cccc3cc(OC(F)F)cnc23)ccc1F |r,c:6| Show InChI InChI=1S/C21H19F3N4O2/c1-21(11-29-10-18(25)28-21)15-8-13(5-6-16(15)22)27-17-4-2-3-12-7-14(30-20(23)24)9-26-19(12)17/h2-9,20,27H,10-11H2,1H3,(H2,25,28)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description DNA of the human APP wt gene (APP695) were used to assess the potency of the compounds in a cellular assay. The cells were seeded in 96-well microtit...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM202612 (US9242943, 21) Show SMILES C[C@]1(COCC(N)=N1)c1cc(NCC2CC2)ccc1F |r,c:6| Show InChI InChI=1S/C15H20FN3O/c1-15(9-20-8-14(17)19-15)12-6-11(4-5-13(12)16)18-7-10-2-3-10/h4-6,10,18H,2-3,7-9H2,1H3,(H2,17,19)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	279	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM202637 (US9242943, 46) Show SMILES CC1(COCC(N)=N1)c1cccc(Nc2cccc3oc(nc23)C2CC2)c1 |c:6| Show InChI InChI=1S/C21H22N4O2/c1-21(12-26-11-18(22)25-21)14-4-2-5-15(10-14)23-16-6-3-7-17-19(16)24-20(27-17)13-8-9-13/h2-7,10,13,23H,8-9,11-12H2,1H3,(H2,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM202604 (US9242943, 13) Show SMILES CSCCCNc1ccc(F)c(c1)[C@]1(C)COCC(N)=N1 |r,c:20| Show InChI InChI=1S/C15H22FN3OS/c1-15(10-20-9-14(17)19-15)12-8-11(4-5-13(12)16)18-6-3-7-21-2/h4-5,8,18H,3,6-7,9-10H2,1-2H3,(H2,17,19)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description DNA of the human APP wt gene (APP695) were used to assess the potency of the compounds in a cellular assay. The cells were seeded in 96-well microtit...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM202609 (US9242943, 18) Show SMILES C[C@]1(COCC(N)=N1)c1cc(NC2CCOC2)ccc1F |r,c:6| Show InChI InChI=1S/C15H20FN3O2/c1-15(9-21-8-14(17)19-15)12-6-10(2-3-13(12)16)18-11-4-5-20-7-11/h2-3,6,11,18H,4-5,7-9H2,1H3,(H2,17,19)/t11?,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description DNA of the human APP wt gene (APP695) were used to assess the potency of the compounds in a cellular assay. The cells were seeded in 96-well microtit...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM202631 (US9242943, 40) Show SMILES C[C@]1(COCC(N)=N1)c1cc(NC2CCc3cc(Cl)cnc23)ccc1F |r,c:6| Show InChI InChI=1S/C19H20ClFN4O/c1-19(10-26-9-17(22)25-19)14-7-13(3-4-15(14)21)24-16-5-2-11-6-12(20)8-23-18(11)16/h3-4,6-8,16,24H,2,5,9-10H2,1H3,(H2,22,25)/t16?,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description DNA of the human APP wt gene (APP695) were used to assess the potency of the compounds in a cellular assay. The cells were seeded in 96-well microtit...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM202596 (US9242943, 5) Show SMILES CCCCNc1ccc(F)c(c1)[C@]1(C)COCC(N)=N1 |r,c:19| Show InChI InChI=1S/C15H22FN3O/c1-3-4-7-18-11-5-6-13(16)12(8-11)15(2)10-20-9-14(17)19-15/h5-6,8,18H,3-4,7,9-10H2,1-2H3,(H2,17,19)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description DNA of the human APP wt gene (APP695) were used to assess the potency of the compounds in a cellular assay. The cells were seeded in 96-well microtit...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM202600 (US9242943, 9) Show SMILES C[C@]1(COCC(N)=N1)c1cc(NCC(F)(F)F)ccc1F |r,c:6| Show InChI InChI=1S/C13H15F4N3O/c1-12(7-21-5-11(18)20-12)9-4-8(2-3-10(9)14)19-6-13(15,16)17/h2-4,19H,5-7H2,1H3,(H2,18,20)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description DNA of the human APP wt gene (APP695) were used to assess the potency of the compounds in a cellular assay. The cells were seeded in 96-well microtit...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM202601 (US9242943, 10) Show SMILES C[C@]1(COCC(N)=N1)c1cc(NCC(F)F)ccc1F |r,c:6| Show InChI InChI=1S/C13H16F3N3O/c1-13(7-20-6-12(17)19-13)9-4-8(2-3-10(9)14)18-5-11(15)16/h2-4,11,18H,5-7H2,1H3,(H2,17,19)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description DNA of the human APP wt gene (APP695) were used to assess the potency of the compounds in a cellular assay. The cells were seeded in 96-well microtit...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM202593 (US9242943, 2) Show SMILES CC1(COCC(N)=N1)c1cccc(NCc2ccc(Cl)cc2)c1 |c:6| Show InChI InChI=1S/C18H20ClN3O/c1-18(12-23-11-17(20)22-18)14-3-2-4-16(9-14)21-10-13-5-7-15(19)8-6-13/h2-9,21H,10-12H2,1H3,(H2,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description DNA of the human APP wt gene (APP695) were used to assess the potency of the compounds in a cellular assay. The cells were seeded in 96-well microtit...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM202618 (US9242943, 27) Show SMILES C[C@]1(COCC(N)=N1)c1cc(Nc2cc(Cl)cc3cc(Cl)cnc23)ccc1F |r,c:6| Show InChI InChI=1S/C20H17Cl2FN4O/c1-20(10-28-9-18(24)27-20)15-7-14(2-3-16(15)23)26-17-6-12(21)4-11-5-13(22)8-25-19(11)17/h2-8,26H,9-10H2,1H3,(H2,24,27)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	558	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM202624 (US9242943, 33) Show SMILES C[C@]1(COCC(N)=N1)c1cc(Nc2ccon2)ccc1F |r,c:6| Show InChI InChI=1S/C14H15FN4O2/c1-14(8-20-7-12(16)18-14)10-6-9(2-3-11(10)15)17-13-4-5-21-19-13/h2-6H,7-8H2,1H3,(H2,16,18)(H,17,19)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description DNA of the human APP wt gene (APP695) were used to assess the potency of the compounds in a cellular assay. The cells were seeded in 96-well microtit...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM202597 (US9242943, 6) Show SMILES CC(C)CCNc1ccc(F)c(c1)[C@]1(C)COCC(N)=N1 |r,c:20| Show InChI InChI=1S/C16H24FN3O/c1-11(2)6-7-19-12-4-5-14(17)13(8-12)16(3)10-21-9-15(18)20-16/h4-5,8,11,19H,6-7,9-10H2,1-3H3,(H2,18,20)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	605	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM202611 (US9242943, 20) Show SMILES C[C@]1(COCC(N)=N1)c1cc(N[C@H]2CCC[C@H]2O)ccc1F |r,c:6| Show InChI InChI=1S/C16H22FN3O2/c1-16(9-22-8-15(18)20-16)11-7-10(5-6-12(11)17)19-13-3-2-4-14(13)21/h5-7,13-14,19,21H,2-4,8-9H2,1H3,(H2,18,20)/t13-,14+,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description DNA of the human APP wt gene (APP695) were used to assess the potency of the compounds in a cellular assay. The cells were seeded in 96-well microtit...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM202618 (US9242943, 27) Show SMILES C[C@]1(COCC(N)=N1)c1cc(Nc2cc(Cl)cc3cc(Cl)cnc23)ccc1F |r,c:6| Show InChI InChI=1S/C20H17Cl2FN4O/c1-20(10-28-9-18(24)27-20)15-7-14(2-3-16(15)23)26-17-6-12(21)4-11-5-13(22)8-25-19(11)17/h2-8,26H,9-10H2,1H3,(H2,24,27)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description DNA of the human APP wt gene (APP695) were used to assess the potency of the compounds in a cellular assay. The cells were seeded in 96-well microtit...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM202626 (US9242943, 35) Show SMILES C[C@@]1(COCC(N)=N1)c1cc(NC2CCc3cc(Cl)ccc23)ccc1F |r,c:6| Show InChI InChI=1S/C20H21ClFN3O/c1-20(11-26-10-19(23)25-20)16-9-14(4-6-17(16)22)24-18-7-2-12-8-13(21)3-5-15(12)18/h3-6,8-9,18,24H,2,7,10-11H2,1H3,(H2,23,25)/t18?,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	732	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM202635 (US9242943, 44) Show SMILES CC1(COCC(N)=N1)c1cccc(Nc2ccccc2OC(F)F)c1 |c:6| Show InChI InChI=1S/C18H19F2N3O2/c1-18(11-24-10-16(21)23-18)12-5-4-6-13(9-12)22-14-7-2-3-8-15(14)25-17(19)20/h2-9,17,22H,10-11H2,1H3,(H2,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description DNA of the human APP wt gene (APP695) were used to assess the potency of the compounds in a cellular assay. The cells were seeded in 96-well microtit...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50436849 (CHEMBL2403768 | US8999980, I-9) Show SMILES C[C@]1(CCOC(N)=N1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,c:6| Show InChI InChI=1S/C17H15Cl2FN4O2/c1-17(4-5-26-16(21)24-17)11-7-10(2-3-13(11)20)23-15(25)14-12(19)6-9(18)8-22-14/h2-3,6-8H,4-5H2,1H3,(H2,21,24)(H,23,25)/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 23: 4239-43 (2013) Article DOI: 10.1016/j.bmcl.2013.05.003 BindingDB Entry DOI: 10.7270/Q2KS6SXQ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM202625 (US9242943, 34) Show SMILES Cn1nc(Nc2ccc(F)c(c2)[C@@]2(C)COCC(N)=N2)c2ccc(Cl)cc12 |r,c:19| Show InChI InChI=1S/C19H19ClFN5O/c1-19(10-27-9-17(22)24-19)14-8-12(4-6-15(14)21)23-18-13-5-3-11(20)7-16(13)26(2)25-18/h3-8H,9-10H2,1-2H3,(H2,22,24)(H,23,25)/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description DNA of the human APP wt gene (APP695) were used to assess the potency of the compounds in a cellular assay. The cells were seeded in 96-well microtit...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM202603 (US9242943, 12) Show SMILES C[C@]1(COCC(N)=N1)c1cc(NCCC(F)(F)F)ccc1F |r,c:6| Show InChI InChI=1S/C14H17F4N3O/c1-13(8-22-7-12(19)21-13)10-6-9(2-3-11(10)15)20-5-4-14(16,17)18/h2-3,6,20H,4-5,7-8H2,1H3,(H2,19,21)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description DNA of the human APP wt gene (APP695) were used to assess the potency of the compounds in a cellular assay. The cells were seeded in 96-well microtit...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM202631 (US9242943, 40) Show SMILES C[C@]1(COCC(N)=N1)c1cc(NC2CCc3cc(Cl)cnc23)ccc1F |r,c:6| Show InChI InChI=1S/C19H20ClFN4O/c1-19(10-26-9-17(22)25-19)14-7-13(3-4-15(14)21)24-16-5-2-11-6-12(20)8-23-18(11)16/h3-4,6-8,16,24H,2,5,9-10H2,1H3,(H2,22,25)/t16?,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM202613 (US9242943, 22) Show SMILES C[C@]1(COCC(N)=N1)c1cc(NC[C@H]2CCCO2)ccc1F |r,c:6| Show InChI InChI=1S/C16H22FN3O2/c1-16(10-21-9-15(18)20-16)13-7-11(4-5-14(13)17)19-8-12-3-2-6-22-12/h4-5,7,12,19H,2-3,6,8-10H2,1H3,(H2,18,20)/t12-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description DNA of the human APP wt gene (APP695) were used to assess the potency of the compounds in a cellular assay. The cells were seeded in 96-well microtit...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM202605 (US9242943, 14) Show SMILES C[C@]1(COCC(N)=N1)c1cc(NC2CCC2)ccc1F |r,c:6| Show InChI InChI=1S/C15H20FN3O/c1-15(9-20-8-14(17)19-15)12-7-11(5-6-13(12)16)18-10-3-2-4-10/h5-7,10,18H,2-4,8-9H2,1H3,(H2,17,19)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM202624 (US9242943, 33) Show SMILES C[C@]1(COCC(N)=N1)c1cc(Nc2ccon2)ccc1F |r,c:6| Show InChI InChI=1S/C14H15FN4O2/c1-14(8-20-7-12(16)18-14)10-6-9(2-3-11(10)15)17-13-4-5-21-19-13/h2-6H,7-8H2,1H3,(H2,16,18)(H,17,19)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM202610 (US9242943, 19) Show SMILES C[C@]1(COCC(N)=N1)c1cc(N[C@H]2CCC[C@@H]2O)ccc1F |r,c:6| Show InChI InChI=1S/C16H22FN3O2/c1-16(9-22-8-15(18)20-16)11-7-10(5-6-12(11)17)19-13-3-2-4-14(13)21/h5-7,13-14,19,21H,2-4,8-9H2,1H3,(H2,18,20)/t13-,14-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description DNA of the human APP wt gene (APP695) were used to assess the potency of the compounds in a cellular assay. The cells were seeded in 96-well microtit...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM202597 (US9242943, 6) Show SMILES CC(C)CCNc1ccc(F)c(c1)[C@]1(C)COCC(N)=N1 |r,c:20| Show InChI InChI=1S/C16H24FN3O/c1-11(2)6-7-19-12-4-5-14(17)13(8-12)16(3)10-21-9-15(18)20-16/h4-5,8,11,19H,6-7,9-10H2,1-3H3,(H2,18,20)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description DNA of the human APP wt gene (APP695) were used to assess the potency of the compounds in a cellular assay. The cells were seeded in 96-well microtit...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM202625 (US9242943, 34) Show SMILES Cn1nc(Nc2ccc(F)c(c2)[C@@]2(C)COCC(N)=N2)c2ccc(Cl)cc12 |r,c:19| Show InChI InChI=1S/C19H19ClFN5O/c1-19(10-27-9-17(22)24-19)14-8-12(4-6-15(14)21)23-18-13-5-3-11(20)7-16(13)26(2)25-18/h3-8H,9-10H2,1-2H3,(H2,22,24)(H,23,25)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM202614 (US9242943, 23) Show SMILES CC(C)C(Nc1ccc(F)c(c1)[C@]1(C)COCC(N)=N1)c1ccc(Cl)cn1 |r,c:19| Show InChI InChI=1S/C20H24ClFN4O/c1-12(2)19(17-7-4-13(21)9-24-17)25-14-5-6-16(22)15(8-14)20(3)11-27-10-18(23)26-20/h4-9,12,19,25H,10-11H2,1-3H3,(H2,23,26)/t19?,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM202625 (US9242943, 34) Show SMILES Cn1nc(Nc2ccc(F)c(c2)[C@@]2(C)COCC(N)=N2)c2ccc(Cl)cc12 |r,c:19| Show InChI InChI=1S/C19H19ClFN5O/c1-19(10-27-9-17(22)24-19)14-8-12(4-6-15(14)21)23-18-13-5-3-11(20)7-16(13)26(2)25-18/h3-8H,9-10H2,1-2H3,(H2,22,24)(H,23,25)/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	37
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description Inhibition of cytochromes P450 (CYPs) 2C9, 2D6 and 3A4 was assessed using human liver microsomes and CYP-selective substrate metabolism reactions. ...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM202632 (US9242943, 41) Show SMILES C[C@]1(COCC(N)=N1)c1cc(Nc2ccccc2OCC(F)F)ccc1F |r,c:6| Show InChI InChI=1S/C19H20F3N3O2/c1-19(11-26-10-18(23)25-19)13-8-12(6-7-14(13)20)24-15-4-2-3-5-16(15)27-9-17(21)22/h2-8,17,24H,9-11H2,1H3,(H2,23,25)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description DNA of the human APP wt gene (APP695) were used to assess the potency of the compounds in a cellular assay. The cells were seeded in 96-well microtit...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM202599 (US9242943, 8) Show SMILES CC(C)C(C)Nc1ccc(F)c(c1)[C@]1(C)COCC(N)=N1 |r,c:20| Show InChI InChI=1S/C16H24FN3O/c1-10(2)11(3)19-12-5-6-14(17)13(7-12)16(4)9-21-8-15(18)20-16/h5-7,10-11,19H,8-9H2,1-4H3,(H2,18,20)/t11?,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description DNA of the human APP wt gene (APP695) were used to assess the potency of the compounds in a cellular assay. The cells were seeded in 96-well microtit...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM202611 (US9242943, 20) Show SMILES C[C@]1(COCC(N)=N1)c1cc(N[C@H]2CCC[C@H]2O)ccc1F |r,c:6| Show InChI InChI=1S/C16H22FN3O2/c1-16(9-22-8-15(18)20-16)11-7-10(5-6-12(11)17)19-13-3-2-4-14(13)21/h5-7,13-14,19,21H,2-4,8-9H2,1H3,(H2,18,20)/t13-,14+,16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM202620 (US9242943, 29) Show SMILES C[C@]1(COCC(N)=N1)c1cc(Nc2cccc3cc(OC(F)F)cnc23)ccc1F |r,c:6| Show InChI InChI=1S/C21H19F3N4O2/c1-21(11-29-10-18(25)28-21)15-8-13(5-6-16(15)22)27-17-4-2-3-12-7-14(30-20(23)24)9-26-19(12)17/h2-9,20,27H,10-11H2,1H3,(H2,25,28)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM202623 (US9242943, 32) Show SMILES C[C@]1(COCC(N)=N1)c1cc(Nc2cccc3cc(OCC(F)(F)F)cnc23)ccc1F |r,c:6| Show InChI InChI=1S/C22H20F4N4O2/c1-21(11-31-10-19(27)30-21)16-8-14(5-6-17(16)23)29-18-4-2-3-13-7-15(9-28-20(13)18)32-12-22(24,25)26/h2-9,29H,10-12H2,1H3,(H2,27,30)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description DNA of the human APP wt gene (APP695) were used to assess the potency of the compounds in a cellular assay. The cells were seeded in 96-well microtit...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM202613 (US9242943, 22) Show SMILES C[C@]1(COCC(N)=N1)c1cc(NC[C@H]2CCCO2)ccc1F |r,c:6| Show InChI InChI=1S/C16H22FN3O2/c1-16(10-21-9-15(18)20-16)13-7-11(4-5-14(13)17)19-8-12-3-2-6-22-12/h4-5,7,12,19H,2-3,6,8-10H2,1H3,(H2,18,20)/t12-,16+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair

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