Found 48 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Beta-secretase 1
(Homo sapiens (Human)) | BDBM101029
(US8507479, 669)Show SMILES C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2coc(n2)C(F)(F)F)ccc1F |r,c:6| Show InChI InChI=1S/C16H14F4N4O2S/c1-15(4-5-27-14(21)24-15)9-6-8(2-3-10(9)17)22-12(25)11-7-26-13(23-11)16(18,19)20/h2-3,6-7H,4-5H2,1H3,(H2,21,24)(H,22,25)/t15-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM101030
(US8507479, 674)Show SMILES Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SCC11CC1 |r,t:21| Show InChI InChI=1S/C19H20FN5OS/c1-11-8-23-15(9-22-11)16(26)24-12-3-4-14(20)13(7-12)18(2)19(5-6-19)10-27-17(21)25-18/h3-4,7-9H,5-6,10H2,1-2H3,(H2,21,25)(H,24,26)/t18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM101023
(US8507479, 655)Show SMILES CC1(C)C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ncccc2F)ccn1 |r,t:6| Show InChI InChI=1S/C18H20FN5OS/c1-17(2)10-18(3,24-16(20)26-17)13-9-11(6-8-21-13)23-15(25)14-12(19)5-4-7-22-14/h4-9H,10H2,1-3H3,(H2,20,24)(H,21,23,25)/t18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM101026
(US8507479, 664)Show SMILES Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SCC1(F)F |r,t:20| Show InChI InChI=1S/C16H15F3N4O2S/c1-8-21-12(6-25-8)13(24)22-9-3-4-11(17)10(5-9)15(2)16(18,19)7-26-14(20)23-15/h3-6H,7H2,1-2H3,(H2,20,23)(H,22,24)/t15-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM101032
(US8507479, 689)Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SCC1=O |r,t:22| Show InChI InChI=1S/C17H16FN5O3S/c1-17(13(24)8-27-16(19)23-17)10-5-9(3-4-11(10)18)22-15(25)12-6-21-14(26-2)7-20-12/h3-7H,8H2,1-2H3,(H2,19,23)(H,22,25)/t17-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM101031
(US8507479, 680)Show SMILES COc1ncc(NC(=O)c2cnc(C)cn2)cc1[C@]1(C)CCSC(N)=N1 |r,c:26| Show InChI InChI=1S/C17H20N6O2S/c1-10-7-20-13(9-19-10)14(24)22-11-6-12(15(25-3)21-8-11)17(2)4-5-26-16(18)23-17/h6-9H,4-5H2,1-3H3,(H2,18,23)(H,22,24)/t17-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM101022
(US8507479, 652)Show SMILES Cc1cn2cc(ncc2n1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CCSC(N)=N1 |r,c:29| Show InChI InChI=1S/C19H19FN6OS/c1-11-9-26-10-15(22-8-16(26)23-11)17(27)24-12-3-4-14(20)13(7-12)19(2)5-6-28-18(21)25-19/h3-4,7-10H,5-6H2,1-2H3,(H2,21,25)(H,24,27)/t19-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM2677
(US8507479, 140 | US8507479, 80 | US8541408, 80)Show SMILES CCSc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 |r,c:26| Show InChI InChI=1S/C18H21N5OS2/c1-3-25-15-11-20-14(10-21-15)16(24)22-13-6-4-5-12(9-13)18(2)7-8-26-17(19)23-18/h4-6,9-11H,3,7-8H2,1-2H3,(H2,19,23)(H,22,24)/t18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM100987
(US8507479, 3)Show SMILES Cc1cc(C(=O)Nc2cccc(c2)[C@]2(C)CCSC(N)=N2)c(C)o1 |r,c:20| Show InChI InChI=1S/C18H21N3O2S/c1-11-9-15(12(2)23-11)16(22)20-14-6-4-5-13(10-14)18(3)7-8-24-17(19)21-18/h4-6,9-10H,7-8H2,1-3H3,(H2,19,21)(H,20,22)/t18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM101004
(US8507479, 92)Show SMILES C[C@]1(CCSC(N)=N1)c1cccc(NC(=O)c2cnc(OCC(F)F)cn2)c1 |r,c:6| Show InChI InChI=1S/C18H19F2N5O2S/c1-18(5-6-28-17(21)25-18)11-3-2-4-12(7-11)24-16(26)13-8-23-15(9-22-13)27-10-14(19)20/h2-4,7-9,14H,5-6,10H2,1H3,(H2,21,25)(H,24,26)/t18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM101005
(US8507479, 93)Show SMILES COCCOc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CCSC(N)=N1 |r,c:29| Show InChI InChI=1S/C20H23FN4O3S/c1-20(7-10-29-19(22)25-20)15-11-13(3-5-16(15)21)24-18(26)17-6-4-14(12-23-17)28-9-8-27-2/h3-6,11-12H,7-10H2,1-2H3,(H2,22,25)(H,24,26)/t20-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM101021
(US8507479, 164)Show SMILES COCCOCCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CCSC(N)=N1 |r,c:32| Show InChI InChI=1S/C21H26FN5O4S/c1-21(5-10-32-20(23)27-21)15-11-14(3-4-16(15)22)26-19(28)17-12-25-18(13-24-17)31-9-8-30-7-6-29-2/h3-4,11-13H,5-10H2,1-2H3,(H2,23,27)(H,26,28)/t21-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM101007
(US8507479, 101)Show SMILES C[C@]1(CCSC(N)=N1)c1cccc(NC(=O)c2cnc(OCc3ccccc3)cn2)c1 |r,c:6| Show InChI InChI=1S/C23H23N5O2S/c1-23(10-11-31-22(24)28-23)17-8-5-9-18(12-17)27-21(29)19-13-26-20(14-25-19)30-15-16-6-3-2-4-7-16/h2-9,12-14H,10-11,15H2,1H3,(H2,24,28)(H,27,29)/t23-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM101003
(US8507479, 87)Show SMILES CC(C)COc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 |r,c:28| Show InChI InChI=1S/C20H25N5O2S/c1-13(2)12-27-17-11-22-16(10-23-17)18(26)24-15-6-4-5-14(9-15)20(3)7-8-28-19(21)25-20/h4-6,9-11,13H,7-8,12H2,1-3H3,(H2,21,25)(H,24,26)/t20-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM100997
(US8507479, 70)Show SMILES COCCOc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 |r,c:28| Show InChI InChI=1S/C19H23N5O3S/c1-19(6-9-28-18(20)24-19)13-4-3-5-14(10-13)23-17(25)15-11-22-16(12-21-15)27-8-7-26-2/h3-5,10-12H,6-9H2,1-2H3,(H2,20,24)(H,23,25)/t19-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM101010
(US8507479, 109)Show SMILES CC(=C)COc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 |r,c:28| Show InChI InChI=1S/C20H23N5O2S/c1-13(2)12-27-17-11-22-16(10-23-17)18(26)24-15-6-4-5-14(9-15)20(3)7-8-28-19(21)25-20/h4-6,9-11H,1,7-8,12H2,2-3H3,(H2,21,25)(H,24,26)/t20-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM100991
(US8507479, 34)Show SMILES C\C=C\COc1ccc(nc1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 |r,c:28| Show InChI InChI=1S/C21H24N4O2S/c1-3-4-11-27-17-8-9-18(23-14-17)19(26)24-16-7-5-6-15(13-16)21(2)10-12-28-20(22)25-21/h3-9,13-14H,10-12H2,1-2H3,(H2,22,25)(H,24,26)/b4-3+/t21-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM100999
(US8507479, 72)Show SMILES CCCOc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 |r,c:27| Show InChI InChI=1S/C19H23N5O2S/c1-3-8-26-16-12-21-15(11-22-16)17(25)23-14-6-4-5-13(10-14)19(2)7-9-27-18(20)24-19/h4-6,10-12H,3,7-9H2,1-2H3,(H2,20,24)(H,23,25)/t19-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM101014
(US8507479, 136)Show SMILES C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)-c2ccco2)ccc1F |r,c:6| Show InChI InChI=1S/C20H18FN5O2S/c1-20(6-8-29-19(22)26-20)13-9-12(4-5-14(13)21)25-18(27)16-11-23-15(10-24-16)17-3-2-7-28-17/h2-5,7,9-11H,6,8H2,1H3,(H2,22,26)(H,25,27)/t20-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM101024
(US8507479, 660)Show SMILES C[C@@]1(N=C(N)SCC1(F)F)c1cc(NC(=O)c2ncccc2F)ccc1F |r,t:2| Show InChI InChI=1S/C17H14F4N4OS/c1-16(17(20,21)8-27-15(22)25-16)10-7-9(4-5-11(10)18)24-14(26)13-12(19)3-2-6-23-13/h2-7H,8H2,1H3,(H2,22,25)(H,24,26)/t16-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM101015
(US8507479, 141)Show SMILES Cc1ccc(NC(=O)c2cnc(Cl)cn2)cc1C1(C)CCSC(N)=N1 |c:25| Show InChI InChI=1S/C17H18ClN5OS/c1-10-3-4-11(22-15(24)13-8-21-14(18)9-20-13)7-12(10)17(2)5-6-25-16(19)23-17/h3-4,7-9H,5-6H2,1-2H3,(H2,19,23)(H,22,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM101009
(US8507479, 106)Show SMILES CC#CCCOc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 |r,c:29| Show InChI InChI=1S/C21H23N5O2S/c1-3-4-5-10-28-18-14-23-17(13-24-18)19(27)25-16-8-6-7-15(12-16)21(2)9-11-29-20(22)26-21/h6-8,12-14H,5,9-11H2,1-2H3,(H2,22,26)(H,25,27)/t21-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM101008
(US8507479, 105)Show SMILES C[C@]1(CCSC(N)=N1)c1cccc(NC(=O)c2cnc(OCCC#C)cn2)c1 |r,c:6| Show InChI InChI=1S/C20H21N5O2S/c1-3-4-9-27-17-13-22-16(12-23-17)18(26)24-15-7-5-6-14(11-15)20(2)8-10-28-19(21)25-20/h1,5-7,11-13H,4,8-10H2,2H3,(H2,21,25)(H,24,26)/t20-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM100992
(US8507479, 38)Show SMILES CSc1ccc(s1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CCSC(N)=N1 |r,c:25| Show InChI InChI=1S/C17H18FN3OS3/c1-17(7-8-24-16(19)21-17)11-9-10(3-4-12(11)18)20-15(22)13-5-6-14(23-2)25-13/h3-6,9H,7-8H2,1-2H3,(H2,19,21)(H,20,22)/t17-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM100996
(US8507479, 66)Show SMILES C[C@]1(CCSC(N)=N1)c1cccc(NC(=O)c2cnc(C=C)cn2)c1 |r,c:6| Show InChI InChI=1S/C18H19N5OS/c1-3-13-10-21-15(11-20-13)16(24)22-14-6-4-5-12(9-14)18(2)7-8-25-17(19)23-18/h3-6,9-11H,1,7-8H2,2H3,(H2,19,23)(H,22,24)/t18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM100993
(US8507479, 41)Show SMILES C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(Br)s2)ccc1F |r,c:6| Show InChI InChI=1S/C16H15BrFN3OS2/c1-16(6-7-23-15(19)21-16)10-8-9(2-3-11(10)18)20-14(22)12-4-5-13(17)24-12/h2-5,8H,6-7H2,1H3,(H2,19,21)(H,20,22)/t16-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM101034
(US8507479, 702)Show SMILES C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2cnc(NCC(F)(F)F)cn2)ccc1F |r,c:6| Show InChI InChI=1S/C18H18F4N6OS/c1-17(4-5-30-16(23)28-17)11-6-10(2-3-12(11)19)27-15(29)13-7-25-14(8-24-13)26-9-18(20,21)22/h2-3,6-8H,4-5,9H2,1H3,(H2,23,28)(H,25,26)(H,27,29)/t17-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM100998
(US8507479, 71)Show SMILES CCCCOc1cnc(cn1)C(=O)Nc1cccc(c1)C1(C)CCSC(N)=N1 |c:28| Show InChI InChI=1S/C20H25N5O2S/c1-3-4-9-27-17-13-22-16(12-23-17)18(26)24-15-7-5-6-14(11-15)20(2)8-10-28-19(21)25-20/h5-7,11-13H,3-4,8-10H2,1-2H3,(H2,21,25)(H,24,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM101012
(US8507479, 114)Show SMILES C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(OCCO)cn2)ccc1F |r,c:6| Show InChI InChI=1S/C19H21FN4O3S/c1-19(6-9-28-18(21)24-19)14-10-12(2-4-15(14)20)23-17(26)16-5-3-13(11-22-16)27-8-7-25/h2-5,10-11,25H,6-9H2,1H3,(H2,21,24)(H,23,26)/t19-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM100989
(US8507479, 12 | US8541408, 12)Show SMILES Cc1nc(C)c(s1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CCSC(N)=N1 |r,c:25| Show InChI InChI=1S/C17H19FN4OS2/c1-9-14(25-10(2)20-9)15(23)21-11-4-5-13(18)12(8-11)17(3)6-7-24-16(19)22-17/h4-5,8H,6-7H2,1-3H3,(H2,19,22)(H,21,23)/t17-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM101006
(US8507479, 94)Show SMILES C[C@]1(CCSC(N)=N1)c1cccc(NC(=O)c2cnc(OCC3CCO3)cn2)c1 |r,c:6| Show InChI InChI=1S/C20H23N5O3S/c1-20(6-8-29-19(21)25-20)13-3-2-4-14(9-13)24-18(26)16-10-23-17(11-22-16)28-12-15-5-7-27-15/h2-4,9-11,15H,5-8,12H2,1H3,(H2,21,25)(H,24,26)/t15?,20-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM101025
(US8507479, 662)Show SMILES Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SCC1(F)F |r,t:21| Show InChI InChI=1S/C17H16F3N5OS/c1-9-6-23-13(7-22-9)14(26)24-10-3-4-12(18)11(5-10)16(2)17(19,20)8-27-15(21)25-16/h3-7H,8H2,1-2H3,(H2,21,25)(H,24,26)/t16-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM100994
(US8507479, 62)Show SMILES COCCOc1cnc(cn1)C(=O)Nc1cccc(c1)C1(C)CCSC(N)=N1 |c:28| Show InChI InChI=1S/C19H23N5O3S/c1-19(6-9-28-18(20)24-19)13-4-3-5-14(10-13)23-17(25)15-11-22-16(12-21-15)27-8-7-26-2/h3-5,10-12H,6-9H2,1-2H3,(H2,20,24)(H,23,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM100988
(US8507479, 11 | US8541408, 11)Show SMILES Cc1cc(C(=O)Nc2cccc(c2)[C@]2(C)CCSC(N)=N2)c(C)s1 |r,c:20| Show InChI InChI=1S/C18H21N3OS2/c1-11-9-15(12(2)24-11)16(22)20-14-6-4-5-13(10-14)18(3)7-8-23-17(19)21-18/h4-6,9-10H,7-8H2,1-3H3,(H2,19,21)(H,20,22)/t18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM101011
(US8507479, 111)Show SMILES C[C@]1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(OCc3ccc(F)cc3)cn2)c1 |r,c:6| Show InChI InChI=1S/C24H23FN4O2S/c1-24(11-12-32-23(26)29-24)17-3-2-4-19(13-17)28-22(30)21-10-9-20(14-27-21)31-15-16-5-7-18(25)8-6-16/h2-10,13-14H,11-12,15H2,1H3,(H2,26,29)(H,28,30)/t24-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM101000
(US8507479, 76)Show SMILES CSCCOc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 |r,c:28| Show InChI InChI=1S/C19H23N5O2S2/c1-19(6-8-28-18(20)24-19)13-4-3-5-14(10-13)23-17(25)15-11-22-16(12-21-15)26-7-9-27-2/h3-5,10-12H,6-9H2,1-2H3,(H2,20,24)(H,23,25)/t19-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM101002
(US8507479, 86)Show SMILES C[C@]1(CCSC(N)=N1)c1cccc(NC(=O)c2cnc(OCCC=C)cn2)c1 |r,c:6| Show InChI InChI=1S/C20H23N5O2S/c1-3-4-9-27-17-13-22-16(12-23-17)18(26)24-15-7-5-6-14(11-15)20(2)8-10-28-19(21)25-20/h3,5-7,11-13H,1,4,8-10H2,2H3,(H2,21,25)(H,24,26)/t20-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM101033
(US8507479, 701)Show SMILES C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2cnc(NCC#N)cn2)ccc1F |r,c:6| Show InChI InChI=1S/C18H18FN7OS/c1-18(4-7-28-17(21)26-18)12-8-11(2-3-13(12)19)25-16(27)14-9-24-15(10-23-14)22-6-5-20/h2-3,8-10H,4,6-7H2,1H3,(H2,21,26)(H,22,24)(H,25,27)/t18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM101028
(US8507479, 668)Show SMILES C[C@]1(CCSC(N)=N1)c1cc(Nc2ncc3ccccn23)ccc1F |r,c:6| Show InChI InChI=1S/C18H18FN5S/c1-18(7-9-25-16(20)23-18)14-10-12(5-6-15(14)19)22-17-21-11-13-4-2-3-8-24(13)17/h2-6,8,10-11H,7,9H2,1H3,(H2,20,23)(H,21,22)/t18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM100995
(US8507479, 65)Show SMILES CC#CC(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 |r,c:19| Show InChI InChI=1S/C15H17N3OS/c1-3-5-13(19)17-12-7-4-6-11(10-12)15(2)8-9-20-14(16)18-15/h4,6-7,10H,8-9H2,1-2H3,(H2,16,18)(H,17,19)/t15-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 720 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM101027
(US8507479, 665)Show SMILES CCCCc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SCC1(F)F |r,t:24| Show InChI InChI=1S/C21H23F3N4OS/c1-3-4-5-13-6-9-17(26-11-13)18(29)27-14-7-8-16(22)15(10-14)20(2)21(23,24)12-30-19(25)28-20/h6-11H,3-5,12H2,1-2H3,(H2,25,28)(H,27,29)/t20-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 870 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM101013
(US8507479, 126)Show SMILES COc1nc(Nc2ccc(F)c(c2)[C@]2(C)CCSC(N)=N2)nc(OC)n1 |r,c:20| Show InChI InChI=1S/C16H19FN6O2S/c1-16(6-7-26-12(18)23-16)10-8-9(4-5-11(10)17)19-13-20-14(24-2)22-15(21-13)25-3/h4-5,8H,6-7H2,1-3H3,(H2,18,23)(H,19,20,21,22)/t16-/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 | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM101017
(US8507479, 150)Show SMILES C[C@]1(CCSC(N)=N1)c1cc(NC(=O)CCc2cccc(N)c2)ccc1F |r,c:6| Show InChI InChI=1S/C20H23FN4OS/c1-20(9-10-27-19(23)25-20)16-12-15(6-7-17(16)21)24-18(26)8-5-13-3-2-4-14(22)11-13/h2-4,6-7,11-12H,5,8-10,22H2,1H3,(H2,23,25)(H,24,26)/t20-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 2.48E+3 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM102916
(US8541408, 26)Show SMILES CC1(CCSC(N)=N1)c1cccc(N\C(=N\O)c2ncc(Cl)cc2Cl)c1 |c:6| Show InChI InChI=1S/C19H24N6OS/c1-12-10-22-15(11-21-12)17(26)23-13-5-6-16(25(3)4)14(9-13)19(2)7-8-27-18(20)24-19/h5-6,9-11H,7-8H2,1-4H3,(H2,20,24)(H,23,26)/t19-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4.85E+3 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM9487
(US8507479, 155 | US8541408, 155)Show SMILES C[C@]1(CCSC(N)=N1)c1cc(NC(=O)CCc2ccc(O)c(O)c2)ccc1F |r,c:6| Show InChI InChI=1S/C20H22FN3O3S/c1-20(8-9-28-19(22)24-20)14-11-13(4-5-15(14)21)23-18(27)7-3-12-2-6-16(25)17(26)10-12/h2,4-6,10-11,25-26H,3,7-9H2,1H3,(H2,22,24)(H,23,27)/t20-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 5.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM101018
(US8507479, 151)Show SMILES Cc1cc(SCC(=O)Nc2ccc(F)c(c2)[C@]2(C)CCSC(N)=N2)nc(N)n1 |r,c:23| Show InChI InChI=1S/C18H21FN6OS2/c1-10-7-15(24-16(20)22-10)28-9-14(26)23-11-3-4-13(19)12(8-11)18(2)5-6-27-17(21)25-18/h3-4,7-8H,5-6,9H2,1-2H3,(H2,21,25)(H,23,26)(H2,20,22,24)/t18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 6.77E+3 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM101020
(US8507479, 163)Show SMILES C[C@]1(CCSC(N)=N1)c1cc(NC(=O)CSc2nccc(O)n2)ccc1F |r,c:6| Show InChI InChI=1S/C17H18FN5O2S2/c1-17(5-7-26-15(19)23-17)11-8-10(2-3-12(11)18)21-14(25)9-27-16-20-6-4-13(24)22-16/h2-4,6,8H,5,7,9H2,1H3,(H2,19,23)(H,21,25)(H,20,22,24)/t17-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 6.79E+3 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM101016
(US8507479, 149)Show SMILES C[C@]1(CCSC(N)=N1)c1cc(NC(=O)COc2ccccc2O)ccc1F |r,c:6| Show InChI InChI=1S/C19H20FN3O3S/c1-19(8-9-27-18(21)23-19)13-10-12(6-7-14(13)20)22-17(25)11-26-16-5-3-2-4-15(16)24/h2-7,10,24H,8-9,11H2,1H3,(H2,21,23)(H,22,25)/t19-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 9.25E+3 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Shionogi & Co., Ltd.
US Patent
| Assay Description
Inhibition assay using human BACE-1. |
US Patent US8541408 (2013)
BindingDB Entry DOI: 10.7270/Q2KK99D8 |
More data for this
Ligand-Target Pair | |
Search and Browse
