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Compile Data Set for Download or QSAR

Found 1619 hits with Last Name = 'inoue' and Initial = 'm'   
Target/Host
(Institution)
LigandTarget/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
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
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
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UniChem

Similars

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))
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
PDB
MMDB

KEGG

UniProtKB/SwissProt
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B.MOAD
antibodypedia
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PC sid
UniChem

Similars

US Patent
10.2 -45.6 44.4n/an/an/an/a4.425



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
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
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
10.3 -45.6 44.7n/an/an/an/a4.425



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
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
PDB
MMDB

KEGG

UniProtKB/SwissProt
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B.MOAD
antibodypedia
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UniChem

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US Patent
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
PDB
MMDB

KEGG

UniProtKB/SwissProt
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B.MOAD
antibodypedia
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PC sid
UniChem

Similars

US Patent
37.8 -42.4 81.8n/an/an/an/a4.425



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
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
PDB
MMDB

KEGG

UniProtKB/SwissProt
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B.MOAD
antibodypedia
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PC sid
UniChem

Similars

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)
PDB
MMDB

KEGG

UniProtKB/SwissProt
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B.MOAD
antibodypedia
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UniChem

Similars

US Patent
38.2 -42.3 82.2n/an/an/an/a4.425



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))
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt
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B.MOAD
antibodypedia
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PC sid
UniChem

Similars

US Patent
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
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
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PC sid
UniChem

Similars

US Patent
42.9 -42.1 76.5n/an/an/an/a4.425



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
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
PDB
MMDB

KEGG

UniProtKB/SwissProt
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B.MOAD
antibodypedia
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UniChem

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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)
PDB
MMDB

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UniChem

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US Patent
51.5 -41.6 97.5n/an/an/an/a4.425



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))
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)
PDB
MMDB

KEGG

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antibodypedia
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UniChem

Similars

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
PDB
MMDB

KEGG

UniProtKB/SwissProt
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B.MOAD
antibodypedia
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UniChem

Similars

US Patent
52.7 -41.5 91.4n/an/an/an/a4.425



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
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
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

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
PDB
MMDB

KEGG

UniProtKB/SwissProt
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B.MOAD
antibodypedia
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UniChem

Similars

US Patent
61.2 -41.2 99.1n/an/an/an/a4.425



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
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
PDB
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B.MOAD
antibodypedia
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US Patent
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)
PDB
MMDB

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antibodypedia
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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))
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)
PDB
MMDB

KEGG

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antibodypedia
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Similars

US Patent
64.5 -41.0 109n/an/an/an/a4.425



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
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)
PDB
MMDB

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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)
PDB
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US Patent
67.6 -40.9 109n/an/an/an/a4.425



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
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
71.1 -40.8 113n/an/an/an/a4.425



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
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
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))
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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US Patent
72 -40.8 118n/an/an/an/a4.425



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
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)
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US Patent
79.2 -40.5 107n/an/an/an/a4.425



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
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)
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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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US Patent
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))
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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US Patent
82.5 -40.4 126n/an/an/an/a4.425



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))
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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US Patent
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))
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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US Patent
83.5 -40.4 125n/an/an/an/a4.425



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
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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US Patent
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))
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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US Patent
87.9 -40.3 124n/an/an/an/a4.425



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
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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US Patent
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))
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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US Patent
90.4 -40.2 137n/an/an/an/a4.425



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
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
91.5 -40.2 138n/an/an/an/a4.425



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
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)
PDB
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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))
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)
PDB
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US Patent
92.1 -40.2 128n/an/an/an/a4.425



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
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))
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
107 -39.8 143n/an/an/an/a4.425



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
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
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))
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
113 -39.7 145n/an/an/an/a4.425



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
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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US Patent
117 -39.6 154n/an/an/an/a4.425



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
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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US Patent
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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US Patent
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))
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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US Patent
120 -39.5 152n/an/an/an/a4.425



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
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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US Patent
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))
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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US Patent
123 -39.4 157n/an/an/an/a4.425



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
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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US Patent
137 -39.2 172n/an/an/an/a4.425



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
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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US Patent
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
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