Found 30 hits with Last Name = 'tagad' and Initial = 'hd' 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)) | BDBM50182869
(CHEMBL439521 | N-((S)-2-amino-3-((S)-1-((S)-1-((2S...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)-c1nnn[nH]1)-c1nnn[nH]1 Show InChI InChI=1S/C34H44N18O6/c1-16(2)10-24(39-32(56)25(17(3)4)40-30(54)22(35)15-36-34(58)29-45-51-52-46-29)31(55)38-23(11-18-8-6-5-7-9-18)26(53)33(57)37-21-13-19(27-41-47-48-42-27)12-20(14-21)28-43-49-50-44-28/h5-9,12-14,16-17,22-26,53H,10-11,15,35H2,1-4H3,(H,36,58)(H,37,57)(H,38,55)(H,39,56)(H,40,54)(H,41,42,47,48)(H,43,44,49,50)(H,45,46,51,52)/t22-,23-,24-,25-,26+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
Bioorg Med Chem Lett 22: 1130-5 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.102
BindingDB Entry DOI: 10.7270/Q2BZ66GD |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50188338
(CHEMBL411711 | N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-(...)Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C36H48N14O6/c1-20(2)28(42-32(52)25(37)19-38-36(56)31-45-49-50-46-31)34(54)41-27(17-22-12-7-4-8-13-22)33(53)40-26(16-21-10-5-3-6-11-21)29(51)35(55)39-24-15-9-14-23(18-24)30-43-47-48-44-30/h3,5-6,9-11,14-15,18,20,22,25-29,51H,4,7-8,12-13,16-17,19,37H2,1-2H3,(H,38,56)(H,39,55)(H,40,53)(H,41,54)(H,42,52)(H,43,44,47,48)(H,45,46,49,50)/t25-,26-,27-,28-,29+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human BACE1 by FRET assay |
Bioorg Med Chem 18: 3175-86 (2010)
Article DOI: 10.1016/j.bmc.2010.03.032
BindingDB Entry DOI: 10.7270/Q26M36ZV |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50157441
(5-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-3-(2H-tetr...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C34H44N10O10/c1-16(2)10-24(39-30(48)25(17(3)4)40-28(46)22(35)15-36-32(50)27-41-43-44-42-27)29(47)38-23(11-18-8-6-5-7-9-18)26(45)31(49)37-21-13-19(33(51)52)12-20(14-21)34(53)54/h5-9,12-14,16-17,22-26,45H,10-11,15,35H2,1-4H3,(H,36,50)(H,37,49)(H,38,47)(H,39,48)(H,40,46)(H,51,52)(H,53,54)(H,41,42,43,44)/t22-,23-,24-,25-,26+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
Bioorg Med Chem Lett 22: 1130-5 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.102
BindingDB Entry DOI: 10.7270/Q2BZ66GD |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50157441
(5-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-3-(2H-tetr...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C34H44N10O10/c1-16(2)10-24(39-30(48)25(17(3)4)40-28(46)22(35)15-36-32(50)27-41-43-44-42-27)29(47)38-23(11-18-8-6-5-7-9-18)26(45)31(49)37-21-13-19(33(51)52)12-20(14-21)34(53)54/h5-9,12-14,16-17,22-26,45H,10-11,15,35H2,1-4H3,(H,36,50)(H,37,49)(H,38,47)(H,39,48)(H,40,46)(H,51,52)(H,53,54)(H,41,42,43,44)/t22-,23-,24-,25-,26+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem 19: 5238-46 (2011)
Article DOI: 10.1016/j.bmc.2011.07.002
BindingDB Entry DOI: 10.7270/Q20Z73NP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50182871
(CHEMBL381826 | N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-(...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C33H44N14O6/c1-17(2)13-24(38-31(51)25(18(3)4)39-29(49)22(34)16-35-33(53)28-42-46-47-43-28)30(50)37-23(14-19-9-6-5-7-10-19)26(48)32(52)36-21-12-8-11-20(15-21)27-40-44-45-41-27/h5-12,15,17-18,22-26,48H,13-14,16,34H2,1-4H3,(H,35,53)(H,36,52)(H,37,50)(H,38,51)(H,39,49)(H,40,41,44,45)(H,42,43,46,47)/t22-,23-,24-,25-,26+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human BACE1 by FRET assay |
Bioorg Med Chem 18: 3175-86 (2010)
Article DOI: 10.1016/j.bmc.2010.03.032
BindingDB Entry DOI: 10.7270/Q26M36ZV |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50234178
(CHEMBL255838 | N-((S)-3-((S)-1-((S)-1-((2S,3R)-4-(...)Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C39H49FN12O8/c1-20(2)29(46-33(54)25(41)19-42-36(57)30-28(40)35(56)48-39(60)47-30)37(58)45-27(17-22-12-7-4-8-13-22)34(55)44-26(16-21-10-5-3-6-11-21)31(53)38(59)43-24-15-9-14-23(18-24)32-49-51-52-50-32/h3,5-6,9-11,14-15,18,20,22,25-27,29,31,53H,4,7-8,12-13,16-17,19,41H2,1-2H3,(H,42,57)(H,43,59)(H,44,55)(H,45,58)(H,46,54)(H2,47,48,56,60)(H,49,50,51,52)/t25-,26-,27-,29-,31+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human BACE1 by FRET assay |
Bioorg Med Chem 18: 3175-86 (2010)
Article DOI: 10.1016/j.bmc.2010.03.032
BindingDB Entry DOI: 10.7270/Q26M36ZV |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50234178
(CHEMBL255838 | N-((S)-3-((S)-1-((S)-1-((2S,3R)-4-(...)Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C39H49FN12O8/c1-20(2)29(46-33(54)25(41)19-42-36(57)30-28(40)35(56)48-39(60)47-30)37(58)45-27(17-22-12-7-4-8-13-22)34(55)44-26(16-21-10-5-3-6-11-21)31(53)38(59)43-24-15-9-14-23(18-24)32-49-51-52-50-32/h3,5-6,9-11,14-15,18,20,22,25-27,29,31,53H,4,7-8,12-13,16-17,19,41H2,1-2H3,(H,42,57)(H,43,59)(H,44,55)(H,45,58)(H,46,54)(H2,47,48,56,60)(H,49,50,51,52)/t25-,26-,27-,29-,31+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
Bioorg Med Chem Lett 22: 1130-5 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.102
BindingDB Entry DOI: 10.7270/Q2BZ66GD |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50188339
(CHEMBL380381 | N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-(...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C36H45FN12O8/c1-17(2)13-24(42-34(55)26(18(3)4)43-30(51)22(38)16-39-33(54)27-25(37)32(53)45-36(57)44-27)31(52)41-23(14-19-9-6-5-7-10-19)28(50)35(56)40-21-12-8-11-20(15-21)29-46-48-49-47-29/h5-12,15,17-18,22-24,26,28,50H,13-14,16,38H2,1-4H3,(H,39,54)(H,40,56)(H,41,52)(H,42,55)(H,43,51)(H2,44,45,53,57)(H,46,47,48,49)/t22-,23-,24-,26-,28+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human BACE1 by FRET assay |
Bioorg Med Chem 18: 3175-86 (2010)
Article DOI: 10.1016/j.bmc.2010.03.032
BindingDB Entry DOI: 10.7270/Q26M36ZV |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50317669
(CHEMBL1094659 | N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nc(=O)o[nH]1 |r| Show InChI InChI=1S/C37H45FN10O10/c1-17(2)13-24(43-34(54)26(18(3)4)44-30(50)22(39)16-40-33(53)27-25(38)32(52)47-36(56)45-27)31(51)42-23(14-19-9-6-5-7-10-19)28(49)35(55)41-21-12-8-11-20(15-21)29-46-37(57)58-48-29/h5-12,15,17-18,22-24,26,28,49H,13-14,16,39H2,1-4H3,(H,40,53)(H,41,55)(H,42,51)(H,43,54)(H,44,50)(H,46,48,57)(H2,45,47,52,56)/t22-,23-,24-,26-,28+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human BACE1 by FRET assay |
Bioorg Med Chem 18: 3175-86 (2010)
Article DOI: 10.1016/j.bmc.2010.03.032
BindingDB Entry DOI: 10.7270/Q26M36ZV |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50157439
(3-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-3-(2H-tetr...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)C(O)=O Show InChI InChI=1S/C33H44N10O8/c1-17(2)13-24(38-30(47)25(18(3)4)39-28(45)22(34)16-35-32(49)27-40-42-43-41-27)29(46)37-23(14-19-9-6-5-7-10-19)26(44)31(48)36-21-12-8-11-20(15-21)33(50)51/h5-12,15,17-18,22-26,44H,13-14,16,34H2,1-4H3,(H,35,49)(H,36,48)(H,37,46)(H,38,47)(H,39,45)(H,50,51)(H,40,41,42,43)/t22-,23-,24-,25-,26+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem 19: 5238-46 (2011)
Article DOI: 10.1016/j.bmc.2011.07.002
BindingDB Entry DOI: 10.7270/Q20Z73NP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50157439
(3-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-3-(2H-tetr...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)C(O)=O Show InChI InChI=1S/C33H44N10O8/c1-17(2)13-24(38-30(47)25(18(3)4)39-28(45)22(34)16-35-32(49)27-40-42-43-41-27)29(46)37-23(14-19-9-6-5-7-10-19)26(44)31(48)36-21-12-8-11-20(15-21)33(50)51/h5-12,15,17-18,22-26,44H,13-14,16,34H2,1-4H3,(H,35,49)(H,36,48)(H,37,46)(H,38,47)(H,39,45)(H,50,51)(H,40,41,42,43)/t22-,23-,24-,25-,26+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
Bioorg Med Chem Lett 22: 1130-5 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.102
BindingDB Entry DOI: 10.7270/Q2BZ66GD |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50277598
(CHEMBL453211 | N-((2S,3S)-4-(3-(2H-tetrazol-5-yl)p...)Show SMILES O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(Br)cc(n1)C(=O)N1COC[C@@H]1c1ccc(F)cc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r| Show InChI InChI=1S/C33H28BrFN8O5/c34-22-15-26(37-27(16-22)33(47)43-18-48-17-28(43)20-9-11-23(35)12-10-20)31(45)38-25(13-19-5-2-1-3-6-19)29(44)32(46)36-24-8-4-7-21(14-24)30-39-41-42-40-30/h1-12,14-16,25,28-29,44H,13,17-18H2,(H,36,46)(H,38,45)(H,39,40,41,42)/t25-,28+,29-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
Bioorg Med Chem Lett 22: 1130-5 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.102
BindingDB Entry DOI: 10.7270/Q2BZ66GD |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50317670
(CHEMBL1094660 | N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1cc(O)ccc1O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nc(=O)o[nH]1 |r| Show InChI InChI=1S/C39H48N8O10/c1-20(2)15-29(44-37(54)31(21(3)4)45-35(52)27(40)19-41-34(51)26-18-25(48)13-14-30(26)49)36(53)43-28(16-22-9-6-5-7-10-22)32(50)38(55)42-24-12-8-11-23(17-24)33-46-39(56)57-47-33/h5-14,17-18,20-21,27-29,31-32,48-50H,15-16,19,40H2,1-4H3,(H,41,51)(H,42,55)(H,43,53)(H,44,54)(H,45,52)(H,46,47,56)/t27-,28-,29-,31-,32+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human BACE1 by FRET assay |
Bioorg Med Chem 18: 3175-86 (2010)
Article DOI: 10.1016/j.bmc.2010.03.032
BindingDB Entry DOI: 10.7270/Q26M36ZV |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50317671
(CHEMBL1094663 | N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nc(=S)o[nH]1 |r| Show InChI InChI=1S/C37H45FN10O9S/c1-17(2)13-24(43-34(54)26(18(3)4)44-30(50)22(39)16-40-33(53)27-25(38)32(52)47-36(56)45-27)31(51)42-23(14-19-9-6-5-7-10-19)28(49)35(55)41-21-12-8-11-20(15-21)29-46-37(58)57-48-29/h5-12,15,17-18,22-24,26,28,49H,13-14,16,39H2,1-4H3,(H,40,53)(H,41,55)(H,42,51)(H,43,54)(H,44,50)(H,46,48,58)(H2,45,47,52,56)/t22-,23-,24-,26-,28+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human BACE1 by FRET assay |
Bioorg Med Chem 18: 3175-86 (2010)
Article DOI: 10.1016/j.bmc.2010.03.032
BindingDB Entry DOI: 10.7270/Q26M36ZV |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50277599
(CHEMBL507541 | N-((2S,3S)-4-(3-(2H-tetrazol-5-yl)p...)Show SMILES O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(I)cc(n1)C(=O)N1COC[C@@H]1c1ccc(F)cc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r| Show InChI InChI=1S/C33H28FIN8O5/c34-22-11-9-20(10-12-22)28-17-48-18-43(28)33(47)27-16-23(35)15-26(37-27)31(45)38-25(13-19-5-2-1-3-6-19)29(44)32(46)36-24-8-4-7-21(14-24)30-39-41-42-40-30/h1-12,14-16,25,28-29,44H,13,17-18H2,(H,36,46)(H,38,45)(H,39,40,41,42)/t25-,28+,29-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
Bioorg Med Chem Lett 22: 1130-5 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.102
BindingDB Entry DOI: 10.7270/Q2BZ66GD |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50317672
(CHEMBL1094664 | N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1cc(O)ccc1O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nc(=S)o[nH]1 |r| Show InChI InChI=1S/C39H48N8O9S/c1-20(2)15-29(44-37(54)31(21(3)4)45-35(52)27(40)19-41-34(51)26-18-25(48)13-14-30(26)49)36(53)43-28(16-22-9-6-5-7-10-22)32(50)38(55)42-24-12-8-11-23(17-24)33-46-39(57)56-47-33/h5-14,17-18,20-21,27-29,31-32,48-50H,15-16,19,40H2,1-4H3,(H,41,51)(H,42,55)(H,43,53)(H,44,54)(H,45,52)(H,46,47,57)/t27-,28-,29-,31-,32+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human BACE1 by FRET assay |
Bioorg Med Chem 18: 3175-86 (2010)
Article DOI: 10.1016/j.bmc.2010.03.032
BindingDB Entry DOI: 10.7270/Q26M36ZV |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50351103
(CHEMBL1817745)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC1(CCCC1)c1ccccc1 |r| Show InChI InChI=1S/C40H53FN8O8/c1-22(2)19-28(45-37(55)30(23(3)4)46-33(51)26(42)21-43-36(54)31-29(41)35(53)48-39(57)47-31)34(52)44-27(20-24-13-7-5-8-14-24)32(50)38(56)49-40(17-11-12-18-40)25-15-9-6-10-16-25/h5-10,13-16,22-23,26-28,30,32,50H,11-12,17-21,42H2,1-4H3,(H,43,54)(H,44,52)(H,45,55)(H,46,51)(H,49,56)(H2,47,48,53,57)/t26-,27-,28-,30-,32+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
Bioorg Med Chem 19: 5238-46 (2011)
Article DOI: 10.1016/j.bmc.2011.07.002
BindingDB Entry DOI: 10.7270/Q20Z73NP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50277597
(CHEMBL501242 | N-((2S,3S)-4-(3-(2H-tetrazol-5-yl)p...)Show SMILES O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(Cl)cc(n1)C(=O)N1COC[C@@H]1c1ccc(F)cc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r| Show InChI InChI=1S/C33H28ClFN8O5/c34-22-15-26(37-27(16-22)33(47)43-18-48-17-28(43)20-9-11-23(35)12-10-20)31(45)38-25(13-19-5-2-1-3-6-19)29(44)32(46)36-24-8-4-7-21(14-24)30-39-41-42-40-30/h1-12,14-16,25,28-29,44H,13,17-18H2,(H,36,46)(H,38,45)(H,39,40,41,42)/t25-,28+,29-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
Bioorg Med Chem Lett 22: 1130-5 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.102
BindingDB Entry DOI: 10.7270/Q2BZ66GD |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50277595
(CHEMBL445281 | N-((2S,3S)-4-(3-(2H-tetrazol-5-yl)p...)Show SMILES O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(Br)cc(n1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r| Show InChI InChI=1S/C33H29BrN8O5/c34-23-16-26(36-27(17-23)33(46)42-19-47-18-28(42)21-10-5-2-6-11-21)31(44)37-25(14-20-8-3-1-4-9-20)29(43)32(45)35-24-13-7-12-22(15-24)30-38-40-41-39-30/h1-13,15-17,25,28-29,43H,14,18-19H2,(H,35,45)(H,37,44)(H,38,39,40,41)/t25-,28+,29-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
Bioorg Med Chem Lett 22: 1130-5 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.102
BindingDB Entry DOI: 10.7270/Q2BZ66GD |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50351099
(CHEMBL1817737)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](C)c1ccccc1 |r| Show InChI InChI=1S/C37H49FN8O8/c1-19(2)16-26(32(49)42-25(17-22-12-8-6-9-13-22)30(47)36(53)41-21(5)23-14-10-7-11-15-23)43-35(52)28(20(3)4)44-31(48)24(39)18-40-34(51)29-27(38)33(50)46-37(54)45-29/h6-15,19-21,24-26,28,30,47H,16-18,39H2,1-5H3,(H,40,51)(H,41,53)(H,42,49)(H,43,52)(H,44,48)(H2,45,46,50,54)/t21-,24-,25-,26-,28-,30+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
Bioorg Med Chem 19: 5238-46 (2011)
Article DOI: 10.1016/j.bmc.2011.07.002
BindingDB Entry DOI: 10.7270/Q20Z73NP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50277594
(CHEMBL448015 | N-((2S,3S)-4-(3-(2H-tetrazol-5-yl)p...)Show SMILES O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(Cl)cc(n1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r| Show InChI InChI=1S/C33H29ClN8O5/c34-23-16-26(36-27(17-23)33(46)42-19-47-18-28(42)21-10-5-2-6-11-21)31(44)37-25(14-20-8-3-1-4-9-20)29(43)32(45)35-24-13-7-12-22(15-24)30-38-40-41-39-30/h1-13,15-17,25,28-29,43H,14,18-19H2,(H,35,45)(H,37,44)(H,38,39,40,41)/t25-,28+,29-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
Bioorg Med Chem Lett 22: 1130-5 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.102
BindingDB Entry DOI: 10.7270/Q2BZ66GD |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50351100
(CHEMBL1817738)Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](C)c1ccccc1 |r| Show InChI InChI=1S/C40H53FN8O8/c1-22(2)31(47-34(51)27(42)21-43-37(54)32-30(41)36(53)49-40(57)48-32)38(55)46-29(20-25-15-9-5-10-16-25)35(52)45-28(19-24-13-7-4-8-14-24)33(50)39(56)44-23(3)26-17-11-6-12-18-26/h4,6-8,11-14,17-18,22-23,25,27-29,31,33,50H,5,9-10,15-16,19-21,42H2,1-3H3,(H,43,54)(H,44,56)(H,45,52)(H,46,55)(H,47,51)(H2,48,49,53,57)/t23-,27-,28-,29-,31-,33+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
Bioorg Med Chem 19: 5238-46 (2011)
Article DOI: 10.1016/j.bmc.2011.07.002
BindingDB Entry DOI: 10.7270/Q20Z73NP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50277596
(CHEMBL504917 | N-((2S,3S)-4-(3-(2H-tetrazol-5-yl)p...)Show SMILES O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(I)cc(n1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r| Show InChI InChI=1S/C33H29IN8O5/c34-23-16-26(36-27(17-23)33(46)42-19-47-18-28(42)21-10-5-2-6-11-21)31(44)37-25(14-20-8-3-1-4-9-20)29(43)32(45)35-24-13-7-12-22(15-24)30-38-40-41-39-30/h1-13,15-17,25,28-29,43H,14,18-19H2,(H,35,45)(H,37,44)(H,38,39,40,41)/t25-,28+,29-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
Bioorg Med Chem Lett 22: 1130-5 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.102
BindingDB Entry DOI: 10.7270/Q2BZ66GD |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50351105
(CHEMBL1817776)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC1(CCCCC1)c1ccccc1 |r| Show InChI InChI=1S/C41H55FN8O8/c1-23(2)20-29(46-38(56)31(24(3)4)47-34(52)27(43)22-44-37(55)32-30(42)36(54)49-40(58)48-32)35(53)45-28(21-25-14-8-5-9-15-25)33(51)39(57)50-41(18-12-7-13-19-41)26-16-10-6-11-17-26/h5-6,8-11,14-17,23-24,27-29,31,33,51H,7,12-13,18-22,43H2,1-4H3,(H,44,55)(H,45,53)(H,46,56)(H,47,52)(H,50,57)(H2,48,49,54,58)/t27-,28-,29-,31-,33+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
Bioorg Med Chem 19: 5238-46 (2011)
Article DOI: 10.1016/j.bmc.2011.07.002
BindingDB Entry DOI: 10.7270/Q20Z73NP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50351101
(CHEMBL1817741)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC(C)(C)c1ccccc1 |r| Show InChI InChI=1S/C38H51FN8O8/c1-20(2)17-26(43-35(53)28(21(3)4)44-31(49)24(40)19-41-34(52)29-27(39)33(51)46-37(55)45-29)32(50)42-25(18-22-13-9-7-10-14-22)30(48)36(54)47-38(5,6)23-15-11-8-12-16-23/h7-16,20-21,24-26,28,30,48H,17-19,40H2,1-6H3,(H,41,52)(H,42,50)(H,43,53)(H,44,49)(H,47,54)(H2,45,46,51,55)/t24-,25-,26-,28-,30+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
Bioorg Med Chem 19: 5238-46 (2011)
Article DOI: 10.1016/j.bmc.2011.07.002
BindingDB Entry DOI: 10.7270/Q20Z73NP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50351104
(CHEMBL1817746)Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC1(CCCC1)c1ccccc1 |r| Show InChI InChI=1S/C43H57FN8O8/c1-25(2)33(49-36(54)29(45)24-46-39(57)34-32(44)38(56)51-42(60)50-34)40(58)48-31(23-27-16-8-4-9-17-27)37(55)47-30(22-26-14-6-3-7-15-26)35(53)41(59)52-43(20-12-13-21-43)28-18-10-5-11-19-28/h3,5-7,10-11,14-15,18-19,25,27,29-31,33,35,53H,4,8-9,12-13,16-17,20-24,45H2,1-2H3,(H,46,57)(H,47,55)(H,48,58)(H,49,54)(H,52,59)(H2,50,51,56,60)/t29-,30-,31-,33-,35+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
Bioorg Med Chem 19: 5238-46 (2011)
Article DOI: 10.1016/j.bmc.2011.07.002
BindingDB Entry DOI: 10.7270/Q20Z73NP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50351102
(CHEMBL1817742)Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC(C)(C)c1ccccc1 |r| Show InChI InChI=1S/C41H55FN8O8/c1-23(2)31(47-34(52)27(43)22-44-37(55)32-30(42)36(54)49-40(58)48-32)38(56)46-29(21-25-16-10-6-11-17-25)35(53)45-28(20-24-14-8-5-9-15-24)33(51)39(57)50-41(3,4)26-18-12-7-13-19-26/h5,7-9,12-15,18-19,23,25,27-29,31,33,51H,6,10-11,16-17,20-22,43H2,1-4H3,(H,44,55)(H,45,53)(H,46,56)(H,47,52)(H,50,57)(H2,48,49,54,58)/t27-,28-,29-,31-,33+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
Bioorg Med Chem 19: 5238-46 (2011)
Article DOI: 10.1016/j.bmc.2011.07.002
BindingDB Entry DOI: 10.7270/Q20Z73NP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50351097
(CHEMBL1817733)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@H](C)c1ccccc1 |r| Show InChI InChI=1S/C37H49FN8O8/c1-19(2)16-26(32(49)42-25(17-22-12-8-6-9-13-22)30(47)36(53)41-21(5)23-14-10-7-11-15-23)43-35(52)28(20(3)4)44-31(48)24(39)18-40-34(51)29-27(38)33(50)46-37(54)45-29/h6-15,19-21,24-26,28,30,47H,16-18,39H2,1-5H3,(H,40,51)(H,41,53)(H,42,49)(H,43,52)(H,44,48)(H2,45,46,50,54)/t21-,24+,25+,26+,28+,30-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
Bioorg Med Chem 19: 5238-46 (2011)
Article DOI: 10.1016/j.bmc.2011.07.002
BindingDB Entry DOI: 10.7270/Q20Z73NP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50351098
(CHEMBL1817734)Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@H](C)c1ccccc1 |r| Show InChI InChI=1S/C40H53FN8O8/c1-22(2)31(47-34(51)27(42)21-43-37(54)32-30(41)36(53)49-40(57)48-32)38(55)46-29(20-25-15-9-5-10-16-25)35(52)45-28(19-24-13-7-4-8-14-24)33(50)39(56)44-23(3)26-17-11-6-12-18-26/h4,6-8,11-14,17-18,22-23,25,27-29,31,33,50H,5,9-10,15-16,19-21,42H2,1-3H3,(H,43,54)(H,44,56)(H,45,52)(H,46,55)(H,47,51)(H2,48,49,53,57)/t23-,27+,28+,29+,31+,33-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
Bioorg Med Chem 19: 5238-46 (2011)
Article DOI: 10.1016/j.bmc.2011.07.002
BindingDB Entry DOI: 10.7270/Q20Z73NP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50351106
(CHEMBL1817777)Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC1(CCCCC1)c1ccccc1 |r| Show InChI InChI=1S/C44H59FN8O8/c1-26(2)34(50-37(55)30(46)25-47-40(58)35-33(45)39(57)52-43(61)51-35)41(59)49-32(24-28-17-9-4-10-18-28)38(56)48-31(23-27-15-7-3-8-16-27)36(54)42(60)53-44(21-13-6-14-22-44)29-19-11-5-12-20-29/h3,5,7-8,11-12,15-16,19-20,26,28,30-32,34,36,54H,4,6,9-10,13-14,17-18,21-25,46H2,1-2H3,(H,47,58)(H,48,56)(H,49,59)(H,50,55)(H,53,60)(H2,51,52,57,61)/t30-,31-,32-,34-,36+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
Bioorg Med Chem 19: 5238-46 (2011)
Article DOI: 10.1016/j.bmc.2011.07.002
BindingDB Entry DOI: 10.7270/Q20Z73NP |
More data for this
Ligand-Target Pair | |
Search and Browse
