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Compile Data Set for Download or QSAR

Found 367 hits from CoMentis, Inc.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))
BDBM149937
PNG
(US8975415, 219 | US9242973, 219)
Show SMILES CC1(C)Oc2ccc(NC(=O)c3ccc(Br)cn3)cc2[C@@]2(COC(N)=N2)C11COC1
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
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US Patent
10.2n/a 44.4n/an/an/an/an/an/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
PNG
(US8975415, 218 | US9242973, 218)
Show SMILES CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2[C@@]2(COC(N)=N2)C11COC1
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
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10.3n/a 44.7n/an/an/an/an/an/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
PNG
(US8975415, 221 | US9242973, 221)
Show SMILES CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2[C@@]2(COC(N)=N2)C11CC1
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
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US Patent
37.8n/a 81.8n/an/an/an/an/an/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
PNG
(US8975415, 27 | US9242973, 27)
Show SMILES CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2C2(COC(N)=N2)C11COC1
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)
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38.2n/a 82.2n/an/an/an/an/an/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))
BDBM149938
PNG
(US8975415, 220 | US9242973, 220)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc2OC(C)(C)C3(COC3)[C@]3(COC(N)=N3)c2c1
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
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US Patent
42.9n/a 76.5n/an/an/an/an/an/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
PNG
(US8975415, 30 | US9242973, 30)
Show SMILES CC1(C)Oc2ccc(NC(=O)c3ncc(Cl)cc3F)cc2C2(COC(N)=N2)C11COC1
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)
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US Patent
51.5n/a 97.5n/an/an/an/an/an/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
PNG
(US8975415, 224 | US9242973, 224)
Show SMILES CC1(C)Oc2ccc(NC(=O)c3cnc(cn3)C(F)F)cc2[C@@]2(COC(N)=N2)C11CC1
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
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US Patent
52.7n/a 91.4n/an/an/an/an/an/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
PNG
(US8975415, 223 | US9242973, 223)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc2OC(C)(C)C3(CC3)[C@]3(COC(N)=N3)c2c1
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
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61.2n/a 99.1n/an/an/an/an/an/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
PNG
(US8975415, RP195 | US9242973, 195)
Show SMILES Cc1cc(Cl)cnc1C(=O)Nc1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1
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)
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US Patent
64.5n/a 109n/an/an/an/an/an/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
PNG
(US8975415, RP201 | US8975415, RP203 | US9242973, R...)
Show SMILES CC#Cc1cncc(c1)-c1ccc2OC(Cc3ccccc3)C3(COC3)C3(COC(N)=N3)c2c1
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)
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US Patent
67.6n/a 109n/an/an/an/an/an/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
PNG
(US8975415, RP201 | US8975415, RP203 | US9242973, R...)
Show SMILES CC#Cc1cncc(c1)-c1ccc2OC(Cc3ccccc3)C3(COC3)C3(COC(N)=N3)c2c1
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)
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71.1n/a 113n/an/an/an/an/an/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))
BDBM149916
PNG
(US8975415, RP197 | US9242973, 197)
Show SMILES CC1(C)Oc2ccc(NC(=O)c3ccc(cn3)C#N)cc2C2(COC(N)=N2)C11COC1
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)
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72n/a 118n/an/an/an/an/an/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
PNG
(US8975415, 227 | US9242973, 227)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1
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
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US Patent
79.2n/a 107n/an/an/an/an/an/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
PNG
(US8975415, RP205 | US9242973, RP205)
Show SMILES CC#Cc1cncc(c1)-c1ccc2OC(CC3CC3)C3(COC3)C3(COC(N)=N3)c2c1
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)
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82.5n/a 126n/an/an/an/an/an/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
PNG
(US8975415, RP190 | US9242973, 190)
Show SMILES CC1(C)Oc2ccc(NC(=O)c3ncc(Br)cn3)cc2C2(COC(N)=N2)C11COC1
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)
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83.5n/a 125n/an/an/an/an/an/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
PNG
(US8975415, RP92 | US9242973, RP92)
Show SMILES CCCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncc(c1)C#CC
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)
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87.9n/a 124n/an/an/an/an/an/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))
BDBM149829
PNG
(US8975415, RP110 | US9242973, RP110)
Show SMILES CC#Cc1cncc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1
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)
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90.4n/a 137n/an/an/an/an/an/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
PNG
(US8975415, 222 | US9242973, 222)
Show SMILES CC1(C)Oc2ccc(NC(=O)c3ccc(F)cn3)cc2[C@@]2(COC(N)=N2)C11CC1
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
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US Patent
91.5n/a 138n/an/an/an/an/an/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
PNG
(US8975415, RP200 | US8975415, RP202 | US9242973, R...)
Show SMILES NC1=NC2(CO1)c1cc(ccc1OC(Cc1ccccc1)C21COC1)-c1cncnc1
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)
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US Patent
92.1n/a 128n/an/an/an/an/an/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))
BDBM149805
PNG
(US8975415, RP86 | US9242973, RP86)
Show SMILES CCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncc(c1)C#CC
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)
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US Patent
107n/a 143n/an/an/an/an/an/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
PNG
(US8975415, RP200 | US8975415, RP202 | US9242973, R...)
Show SMILES NC1=NC2(CO1)c1cc(ccc1OC(Cc1ccccc1)C21COC1)-c1cncnc1
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)
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113n/a 145n/an/an/an/an/an/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
PNG
(US8975415, 28 | US9242973, 28)
Show SMILES CC1(C)Oc2ccc(NC(=O)c3ccc(F)cn3)cc2C2(COC(N)=N2)C11COC1
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)
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117n/a 154n/an/an/an/an/an/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
PNG
(US8975415, RP109 | US9242973, RP109)
Show SMILES CC#Cc1cncc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1
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)
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120n/a 152n/an/an/an/an/an/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
PNG
(US8975415, RP108 | US8975415, RP53b | US9242973, R...)
Show SMILES CC#Cc1cncc(c1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1
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)
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123n/a 157n/an/an/an/an/an/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
PNG
(US8975415, RP51a | US8975415, RP51b | US8975415, R...)
Show SMILES CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1
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)
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137n/a 172n/an/an/an/an/an/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))
BDBM149865
PNG
(US8975415, RP146 | US9242973, RP146)
Show SMILES CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(F)cc(Cl)c1
Show InChI InChI=1S/C21H20ClFN2O3/c1-19(2)20(9-26-10-20)21(11-27-18(24)25-21)16-7-12(3-4-17(16)28-19)13-5-14(22)8-15(23)6-13/h3-8H,9-11H2,1-2H3,(H2,24,25)
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188n/a 226n/an/an/an/an/an/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))
BDBM149910
PNG
(US8975415, RP191 | US9242973, RP191)
Show SMILES Cc1cc(cnc1C(=O)Nc1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1)C#N
Show InChI InChI=1S/C21H19N5O3/c1-12-6-13(8-22)9-24-17(12)18(27)25-14-2-3-16-15(7-14)21(11-29-19(23)26-21)20(4-5-20)10-28-16/h2-3,6-7,9H,4-5,10-11H2,1H3,(H2,23,26)(H,25,27)
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215n/a 248n/an/an/an/an/an/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))
BDBM149858
PNG
(US8975415, RP139 | US9242973, RP139)
Show SMILES CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc(Cl)c1
Show InChI InChI=1S/C21H21ClN2O3/c1-19(2)20(10-25-11-20)21(12-26-18(23)24-21)16-9-14(6-7-17(16)27-19)13-4-3-5-15(22)8-13/h3-9H,10-12H2,1-2H3,(H2,23,24)
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215n/a 252n/an/an/an/an/an/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))
BDBM149751
PNG
(US8975415, RP29 | US9242973, RP29)
Show SMILES NC1=NC2(CO1)c1cc(NC(=O)c3ncc(Cl)cc3F)ccc1OCC21CC1
Show InChI InChI=1S/C19H16ClFN4O3/c20-10-5-13(21)15(23-7-10)16(26)24-11-1-2-14-12(6-11)19(9-28-17(22)25-19)18(3-4-18)8-27-14/h1-2,5-7H,3-4,8-9H2,(H2,22,25)(H,24,26)
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240n/a 276n/an/an/an/an/an/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))
BDBM149772
PNG
(US8975415, RP111 | US8975415, RP52a | US9242973, R...)
Show SMILES CC#Cc1cncc(c1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1
Show InChI InChI=1S/C21H19N3O2/c1-2-3-14-8-16(11-23-10-14)15-4-5-18-17(9-15)21(13-26-19(22)24-21)20(6-7-20)12-25-18/h4-5,8-11H,6-7,12-13H2,1H3,(H2,22,24)
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252n/a 287n/an/an/an/an/an/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))
BDBM149802
PNG
(US8975415, RP83 | US9242973, RP83)
Show SMILES COc1cncc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1
Show InChI InChI=1S/C21H23N3O4/c1-19(2)20(10-26-11-20)21(12-27-18(22)24-21)16-7-13(4-5-17(16)28-19)14-6-15(25-3)9-23-8-14/h4-9H,10-12H2,1-3H3,(H2,22,24)
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255n/a 285n/an/an/an/an/an/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))
BDBM149911
PNG
(US8975415, RP192 | US9242973, RP192)
Show SMILES NC1=NC2(CO1)c1cc(NC(=O)c3ncc(cc3Cl)C#N)ccc1OCC21CC1
Show InChI InChI=1S/C20H16ClN5O3/c21-14-5-11(7-22)8-24-16(14)17(27)25-12-1-2-15-13(6-12)20(10-29-18(23)26-20)19(3-4-19)9-28-15/h1-2,5-6,8H,3-4,9-10H2,(H2,23,26)(H,25,27)
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280n/a 318n/an/an/an/an/an/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))
BDBM149913
PNG
(US8975415, RP194 | US9242973, RP194)
Show SMILES Cc1cc(Cl)cnc1C(=O)Nc1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1
Show InChI InChI=1S/C20H19ClN4O3/c1-11-6-12(21)8-23-16(11)17(26)24-13-2-3-15-14(7-13)20(10-28-18(22)25-20)19(4-5-19)9-27-15/h2-3,6-8H,4-5,9-10H2,1H3,(H2,22,25)(H,24,26)
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313n/a 349n/an/an/an/an/an/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))
BDBM149915
PNG
(US8975415, RP196 | US9242973, RP196)
Show SMILES NC1=NC2(CO1)c1cc(NC(=O)c3ccc(cn3)C#N)ccc1OCC21CC1
Show InChI InChI=1S/C20H17N5O3/c21-8-12-1-3-15(23-9-12)17(26)24-13-2-4-16-14(7-13)20(11-28-18(22)25-20)19(5-6-19)10-27-16/h1-4,7,9H,5-6,10-11H2,(H2,22,25)(H,24,26)
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342n/a 380n/an/an/an/an/an/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
PNG
(US8975415, RP108 | US8975415, RP53b | US9242973, R...)
Show SMILES CC#Cc1cncc(c1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1
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)
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354n/a 383n/an/an/an/an/an/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))
BDBM149754
PNG
(US8975415, RP32 | US9242973, RP32)
Show SMILES NC1=NC2(CO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1OCC21CC1
Show InChI InChI=1S/C19H17ClN4O3/c20-11-1-3-14(22-8-11)16(25)23-12-2-4-15-13(7-12)19(10-27-17(21)24-19)18(5-6-18)9-26-15/h1-4,7-8H,5-6,9-10H2,(H2,21,24)(H,23,25)
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378n/a 418n/an/an/an/an/an/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))
BDBM149908
PNG
(US8975415, RP189 | US9242973, RP189)
Show SMILES NC1=NC2(CO1)c1cc(NC(=O)c3ncc(Br)cn3)ccc1OCC21CC1
Show InChI InChI=1S/C18H16BrN5O3/c19-10-6-21-14(22-7-10)15(25)23-11-1-2-13-12(5-11)18(9-27-16(20)24-18)17(3-4-17)8-26-13/h1-2,5-7H,3-4,8-9H2,(H2,20,24)(H,23,25)
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623n/a 661n/an/an/an/an/an/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))
BDBM149815
PNG
(US8975415, RP96 | US9242973, RP96)
Show SMILES CC#Cc1cncc(c1)-c1ccc2OC(CCC(F)(F)F)C3(COC3)C3(COC(N)=N3)c2c1
Show InChI InChI=1S/C24H22F3N3O3/c1-2-3-15-8-17(11-29-10-15)16-4-5-19-18(9-16)23(14-32-21(28)30-23)22(12-31-13-22)20(33-19)6-7-24(25,26)27/h4-5,8-11,20H,6-7,12-14H2,1H3,(H2,28,30)
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868n/a 126n/an/an/an/an/an/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))
BDBM149753
PNG
(US8975415, RP31 | US9242973, RP31)
Show SMILES NC1=NC2(CO1)c1cc(NC(=O)c3ccc(F)cn3)ccc1OCC21CC1
Show InChI InChI=1S/C19H17FN4O3/c20-11-1-3-14(22-8-11)16(25)23-12-2-4-15-13(7-12)19(10-27-17(21)24-19)18(5-6-18)9-26-15/h1-4,7-8H,5-6,9-10H2,(H2,21,24)(H,23,25)
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1.03E+3n/a 1.06E+3n/an/an/an/an/an/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))
BDBM149944
PNG
(US8975415, 228a | US9242973, 228a)
Show SMILES CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2[C@]2(COC(N)=N2)C11COC1
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-/m1/s1
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3.02E+4n/a 3.03E+4n/an/an/an/an/an/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))
BDBM149937
PNG
(US8975415, 219 | US9242973, 219)
Show SMILES CC1(C)Oc2ccc(NC(=O)c3ccc(Br)cn3)cc2[C@@]2(COC(N)=N2)C11COC1
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
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US Patent
n/an/a 41.8n/an/an/an/an/an/a



CoMentis, Inc.

US Patent


Assay Description
Potency of compounds were also measured using another fluorogenic substrate, TruPoint BACE1 Substrate Eu-CEVNLDAEFK-QSY 7 (SEQ ID NO:3) (AD0258, Perk...


US Patent US8975415 (2015)


BindingDB Entry DOI: 10.7270/Q2SB44GN
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM149772
PNG
(US8975415, RP111 | US8975415, RP52a | US9242973, R...)
Show SMILES CC#Cc1cncc(c1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1
Show InChI InChI=1S/C21H19N3O2/c1-2-3-14-8-16(11-23-10-14)15-4-5-18-17(9-15)21(13-26-19(22)24-21)20(6-7-20)12-25-18/h4-5,8-11H,6-7,12-13H2,1H3,(H2,22,24)
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n/an/a 161n/an/an/an/an/an/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))
BDBM149892
PNG
(US8975415, RP173 | US9242973, RP173)
Show SMILES CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncc(Cl)c1
Show InChI InChI=1S/C20H20ClN3O3/c1-18(2)19(9-25-10-19)20(11-26-17(22)24-20)15-6-12(3-4-16(15)27-18)13-5-14(21)8-23-7-13/h3-8H,9-11H2,1-2H3,(H2,22,24)
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US Patent
n/an/a 239n/an/an/an/an/an/a



CoMentis, Inc.

US Patent


Assay Description
Potency of compounds were also measured using another fluorogenic substrate, TruPoint BACE1 Substrate Eu-CEVNLDAEFK-QSY 7 (SEQ ID NO:3) (AD0258, Perk...


US Patent US8975415 (2015)


BindingDB Entry DOI: 10.7270/Q2SB44GN
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM149873
PNG
(US8975415, RP154 | US9242973, RP154)
Show SMILES CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(Cl)cnc1F
Show InChI InChI=1S/C20H19ClFN3O3/c1-18(2)19(8-26-9-19)20(10-27-17(23)25-20)14-5-11(3-4-15(14)28-18)13-6-12(21)7-24-16(13)22/h3-7H,8-10H2,1-2H3,(H2,23,25)
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n/an/a 313n/an/an/an/an/an/a



CoMentis, Inc.

US Patent


Assay Description
Potency of compounds were also measured using another fluorogenic substrate, TruPoint BACE1 Substrate Eu-CEVNLDAEFK-QSY 7 (SEQ ID NO:3) (AD0258, Perk...


US Patent US8975415 (2015)


BindingDB Entry DOI: 10.7270/Q2SB44GN
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM149773
PNG
(US8975415, RP108 | US8975415, RP53b | US9242973, R...)
Show SMILES CC#Cc1cncc(c1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1
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)
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n/an/a 316n/an/an/an/an/an/a



CoMentis, Inc.

US Patent


Assay Description
Potency of compounds were also measured using another fluorogenic substrate, TruPoint BACE1 Substrate Eu-CEVNLDAEFK-QSY 7 (SEQ ID NO:3) (AD0258, Perk...


US Patent US8975415 (2015)


BindingDB Entry DOI: 10.7270/Q2SB44GN
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM149804
PNG
(US8975415, RP85 | US9242973, RP85)
Show SMILES NC1=NC2(CO1)c1cc(ccc1OC1(CCCC1)C21COC1)-c1cncnc1
Show InChI InChI=1S/C21H22N4O3/c22-18-25-21(12-27-18)16-7-14(15-8-23-13-24-9-15)3-4-17(16)28-20(5-1-2-6-20)19(21)10-26-11-19/h3-4,7-9,13H,1-2,5-6,10-12H2,(H2,22,25)
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n/an/a 319n/an/an/an/an/an/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))
BDBM149787
PNG
(US8975415, RP68 | US9242973, RP68)
Show SMILES CC#Cc1cncc(c1)-c1ccc2OCC3(COC3)C3(CSC(N)=N3)c2c1
Show InChI InChI=1S/C21H19N3O2S/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)
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n/an/a 345n/an/an/an/an/an/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))
BDBM149801
PNG
(US8975415, RP82 | US9242973, RP82)
Show SMILES CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccnc1F
Show InChI InChI=1S/C20H20FN3O3/c1-18(2)19(9-25-10-19)20(11-26-17(22)24-20)14-8-12(5-6-15(14)27-18)13-4-3-7-23-16(13)21/h3-8H,9-11H2,1-2H3,(H2,22,24)
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n/an/a 348n/an/an/an/an/an/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))
BDBM149784
PNG
(US8975415, RP65 | US9242973, RP65)
Show SMILES COc1ccnc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1
Show InChI InChI=1S/C21H23N3O4/c1-19(2)20(10-26-11-20)21(12-27-18(22)24-21)15-8-13(4-5-17(15)28-19)16-9-14(25-3)6-7-23-16/h4-9H,10-12H2,1-3H3,(H2,22,24)
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n/an/a 388n/an/an/an/an/an/a



CoMentis, Inc.

US Patent


Assay Description
Potency of compounds were also measured using another fluorogenic substrate, TruPoint BACE1 Substrate Eu-CEVNLDAEFK-QSY 7 (SEQ ID NO:3) (AD0258, Perk...


US Patent US8975415 (2015)


BindingDB Entry DOI: 10.7270/Q2SB44GN
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM149923
PNG
(US8975415, RP204 | US8975415, RP207 | US9242973, R...)
Show SMILES NC1=NC2(CO1)c1cc(ccc1OC(CC1CC1)C21COC1)-c1cncnc1
Show InChI InChI=1S/C21H22N4O3/c22-19-25-21(11-27-19)16-6-14(15-7-23-12-24-8-15)3-4-17(16)28-18(5-13-1-2-13)20(21)9-26-10-20/h3-4,6-8,12-13,18H,1-2,5,9-11H2,(H2,22,25)
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n/an/a 388n/an/an/an/an/an/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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