Found 21 hits with Last Name = 'nakanishi' and Initial = 't' 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 |
|---|
Solute carrier family 15 member 1
(Homo sapiens (Human)) | BDBM50162073
((S)-2-((2-amino-6-oxo-3H-purin-9(6H)-yl)methoxy)et...)Show SMILES CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O |r| Show InChI InChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/t8-/m0/s1 | PDB
Reactome pathway
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| Article
PubMed
| 4.08E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New Jersey
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake in Xenopus laevis oocytes |
Biochem Biophys Res Commun 250: 246-51 (1998)
Article DOI: 10.1006/bbrc.1998.9298
BindingDB Entry DOI: 10.7270/Q2X92CCB |
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
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Arg235 region of BACE1 by FRET assay |
Bioorg Med Chem Lett 19: 2435-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.049
BindingDB Entry DOI: 10.7270/Q27D2V1G |
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
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
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| 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 recombinant Arg235 region of BACE1 by FRET assay |
Bioorg Med Chem Lett 19: 2435-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.049
BindingDB Entry DOI: 10.7270/Q27D2V1G |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50387256
(CHEMBL2048214)Show SMILES O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)N1COC[C@@H]1c1ccc(F)cc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r| Show InChI InChI=1S/C34H29FN8O7/c35-25-11-9-21(10-12-25)29-18-50-19-42(29)34(47)24-14-23(16-27(17-24)43(48)49)32(45)37-28(13-20-5-2-1-3-6-20)30(44)33(46)36-26-8-4-7-22(15-26)31-38-40-41-39-31/h1-12,14-17,28-30,44H,13,18-19H2,(H,36,46)(H,37,45)(H,38,39,40,41)/t28-,29+,30-/m0/s1 | PDB
MMDB
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| CHEMBL
PC cid
PC sid
UniChem
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| 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: 4640-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.089
BindingDB Entry DOI: 10.7270/Q2GB253K |
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
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| 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 |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Arg235 region of BACE1 by FRET assay |
Bioorg Med Chem Lett 19: 2435-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.049
BindingDB Entry DOI: 10.7270/Q27D2V1G |
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
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| CHEMBL
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Arg235 region of BACE1 by FRET assay |
Bioorg Med Chem Lett 19: 2435-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.049
BindingDB Entry DOI: 10.7270/Q27D2V1G |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50387250
(CHEMBL2048213)Show SMILES O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r| Show InChI InChI=1S/C34H30N8O7/c43-30(33(45)35-26-13-7-12-23(16-26)31-37-39-40-38-31)28(14-21-8-3-1-4-9-21)36-32(44)24-15-25(18-27(17-24)42(47)48)34(46)41-20-49-19-29(41)22-10-5-2-6-11-22/h1-13,15-18,28-30,43H,14,19-20H2,(H,35,45)(H,36,44)(H,37,38,39,40)/t28-,29+,30-/m0/s1 | PDB
MMDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 19 | 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: 4640-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.089
BindingDB Entry DOI: 10.7270/Q2GB253K |
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
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| CHEMBL
PC cid
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| Article
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Arg235 region of BACE1 by FRET assay |
Bioorg Med Chem Lett 19: 2435-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.049
BindingDB Entry DOI: 10.7270/Q27D2V1G |
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
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| CHEMBL
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| 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 Arg235 region of BACE1 by FRET assay |
Bioorg Med Chem Lett 19: 2435-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.049
BindingDB Entry DOI: 10.7270/Q27D2V1G |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50387253
(CHEMBL2048209)Show SMILES O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(Br)cc(c1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r| Show InChI InChI=1S/C34H30BrN7O5/c35-26-16-24(15-25(17-26)34(46)42-20-47-19-29(42)22-10-5-2-6-11-22)32(44)37-28(14-21-8-3-1-4-9-21)30(43)33(45)36-27-13-7-12-23(18-27)31-38-40-41-39-31/h1-13,15-18,28-30,43H,14,19-20H2,(H,36,45)(H,37,44)(H,38,39,40,41)/t28-,29+,30-/m0/s1 | PDB
MMDB
KEGG
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| 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 |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
Bioorg Med Chem Lett 22: 4640-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.089
BindingDB Entry DOI: 10.7270/Q2GB253K |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50387254
(CHEMBL2048210)Show SMILES O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(I)cc(c1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r| Show InChI InChI=1S/C34H30IN7O5/c35-26-16-24(15-25(17-26)34(46)42-20-47-19-29(42)22-10-5-2-6-11-22)32(44)37-28(14-21-8-3-1-4-9-21)30(43)33(45)36-27-13-7-12-23(18-27)31-38-40-41-39-31/h1-13,15-18,28-30,43H,14,19-20H2,(H,36,45)(H,37,44)(H,38,39,40,41)/t28-,29+,30-/m0/s1 | PDB
MMDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | 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: 4640-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.089
BindingDB Entry DOI: 10.7270/Q2GB253K |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50234644
(CHEMBL400043 | N-((2S,3S)-4-(3-(2H-tetrazol-5-yl)p...)Show SMILES O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(=O)cc(o1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r| Show InChI InChI=1S/C33H29N7O7/c41-24-16-27(47-28(17-24)33(45)40-19-46-18-26(40)21-10-5-2-6-11-21)31(43)35-25(14-20-8-3-1-4-9-20)29(42)32(44)34-23-13-7-12-22(15-23)30-36-38-39-37-30/h1-13,15-17,25-26,29,42H,14,18-19H2,(H,34,44)(H,35,43)(H,36,37,38,39)/t25-,26+,29-/m0/s1 | PDB
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| CHEMBL
PC cid
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| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Arg235 region of BACE1 by FRET assay |
Bioorg Med Chem Lett 19: 2435-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.049
BindingDB Entry DOI: 10.7270/Q27D2V1G |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50387255
(CHEMBL2048211)Show SMILES Cc1cc(cc(c1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r| Show InChI InChI=1S/C35H33N7O5/c1-22-15-26(18-27(16-22)35(46)42-21-47-20-30(42)24-11-6-3-7-12-24)33(44)37-29(17-23-9-4-2-5-10-23)31(43)34(45)36-28-14-8-13-25(19-28)32-38-40-41-39-32/h2-16,18-19,29-31,43H,17,20-21H2,1H3,(H,36,45)(H,37,44)(H,38,39,40,41)/t29-,30+,31-/m0/s1 | PDB
MMDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 67 | 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: 4640-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.089
BindingDB Entry DOI: 10.7270/Q2GB253K |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50495215
(CHEMBL3105743)Show SMILES O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(cc(n1)C(=O)N1COC[C@@H]1c1ccccc1)N=[N+]=[N-])C(=O)Nc1cccc(c1)-c1nn[nH]n1 |r| Show InChI InChI=1S/C33H29N11O5/c34-41-38-24-16-26(36-27(17-24)33(48)44-19-49-18-28(44)21-10-5-2-6-11-21)31(46)37-25(14-20-8-3-1-4-9-20)29(45)32(47)35-23-13-7-12-22(15-23)30-39-42-43-40-30/h1-13,15-17,25,28-29,45H,14,18-19H2,(H,35,47)(H,37,46)(H,39,40,42,43)/t25-,28+,29-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 using (7-methoxycoumarin-4-yl)acetyl-SEVNL*DAEFRK(2,4-dinitrophenyl)-RR-NH2) as substrate by FRET assay |
Bioorg Med Chem Lett 24: 618-23 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.007
BindingDB Entry DOI: 10.7270/Q2BG2RZZ |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50495216
(CHEMBL3105741)Show SMILES CSc1cc(nc(c1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(c1)-c1nn[nH]n1 |r| Show InChI InChI=1S/C34H32N8O5S/c1-48-25-17-27(36-28(18-25)34(46)42-20-47-19-29(42)22-11-6-3-7-12-22)32(44)37-26(15-21-9-4-2-5-10-21)30(43)33(45)35-24-14-8-13-23(16-24)31-38-40-41-39-31/h2-14,16-18,26,29-30,43H,15,19-20H2,1H3,(H,35,45)(H,37,44)(H,38,39,40,41)/t26-,29+,30-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 using (7-methoxycoumarin-4-yl)acetyl-SEVNL*DAEFRK(2,4-dinitrophenyl)-RR-NH2) as substrate by FRET assay |
Bioorg Med Chem Lett 24: 618-23 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.007
BindingDB Entry DOI: 10.7270/Q2BG2RZZ |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50234646
(2-(((2S,3S)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-...)Show SMILES CS(=O)(=O)Oc1cc(nc(c1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r| Show InChI InChI=1S/C34H32N8O8S/c1-51(47,48)50-25-17-27(36-28(18-25)34(46)42-20-49-19-29(42)22-11-6-3-7-12-22)32(44)37-26(15-21-9-4-2-5-10-21)30(43)33(45)35-24-14-8-13-23(16-24)31-38-40-41-39-31/h2-14,16-18,26,29-30,43H,15,19-20H2,1H3,(H,35,45)(H,37,44)(H,38,39,40,41)/t26-,29+,30-/m0/s1 | PDB
MMDB
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Arg235 region of BACE1 by FRET assay |
Bioorg Med Chem Lett 19: 2435-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.049
BindingDB Entry DOI: 10.7270/Q27D2V1G |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50387252
(CHEMBL2048206)Show SMILES O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N1COC[C@@H]1c1ccccc1)C(O)=O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r| Show InChI InChI=1S/C35H31N7O7/c43-30(33(45)36-27-13-7-12-23(18-27)31-38-40-41-39-31)28(14-21-8-3-1-4-9-21)37-32(44)24-15-25(17-26(16-24)35(47)48)34(46)42-20-49-19-29(42)22-10-5-2-6-11-22/h1-13,15-18,28-30,43H,14,19-20H2,(H,36,45)(H,37,44)(H,47,48)(H,38,39,40,41)/t28-,29+,30-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
PC cid
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| Article
PubMed
| n/a | n/a | 122 | 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: 4640-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.089
BindingDB Entry DOI: 10.7270/Q2GB253K |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50234643
(CHEMBL399839 | N-((2S,3S)-4-(3-(2H-tetrazol-5-yl)p...)Show SMILES O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cccc(n1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r| Show InChI InChI=1S/C33H30N8O5/c42-29(32(44)34-24-14-7-13-23(18-24)30-37-39-40-38-30)27(17-21-9-3-1-4-10-21)36-31(43)25-15-8-16-26(35-25)33(45)41-20-46-19-28(41)22-11-5-2-6-12-22/h1-16,18,27-29,42H,17,19-20H2,(H,34,44)(H,36,43)(H,37,38,39,40)/t27-,28+,29-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
PC cid
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| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Arg235 region of BACE1 by FRET assay |
Bioorg Med Chem Lett 19: 2435-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.049
BindingDB Entry DOI: 10.7270/Q27D2V1G |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50495217
(CHEMBL3105738)Show SMILES COc1cc(nc(c1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(c1)-c1nn[nH]n1 |r| Show InChI InChI=1S/C34H32N8O6/c1-47-25-17-27(36-28(18-25)34(46)42-20-48-19-29(42)22-11-6-3-7-12-22)32(44)37-26(15-21-9-4-2-5-10-21)30(43)33(45)35-24-14-8-13-23(16-24)31-38-40-41-39-31/h2-14,16-18,26,29-30,43H,15,19-20H2,1H3,(H,35,45)(H,37,44)(H,38,39,40,41)/t26-,29+,30-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 151 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 using (7-methoxycoumarin-4-yl)acetyl-SEVNL*DAEFRK(2,4-dinitrophenyl)-RR-NH2) as substrate by FRET assay |
Bioorg Med Chem Lett 24: 618-23 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.007
BindingDB Entry DOI: 10.7270/Q2BG2RZZ |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50387251
(CHEMBL2048207)Show SMILES O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r| Show InChI InChI=1S/C34H31N7O5/c42-30(33(44)35-27-16-8-13-24(19-27)31-37-39-40-38-31)28(17-22-9-3-1-4-10-22)36-32(43)25-14-7-15-26(18-25)34(45)41-21-46-20-29(41)23-11-5-2-6-12-23/h1-16,18-19,28-30,42H,17,20-21H2,(H,35,44)(H,36,43)(H,37,38,39,40)/t28-,29+,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 | 192 | 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: 4640-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.089
BindingDB Entry DOI: 10.7270/Q2GB253K |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50234645
(CHEMBL253865 | N-((2S,3S)-4-(3-(2H-tetrazol-5-yl)p...)Show SMILES O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(O)cc(n1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r| Show InChI InChI=1S/C33H30N8O6/c42-24-16-26(35-27(17-24)33(46)41-19-47-18-28(41)21-10-5-2-6-11-21)31(44)36-25(14-20-8-3-1-4-9-20)29(43)32(45)34-23-13-7-12-22(15-23)30-37-39-40-38-30/h1-13,15-17,25,28-29,43H,14,18-19H2,(H,34,45)(H,35,42)(H,36,44)(H,37,38,39,40)/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 | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Arg235 region of BACE1 by FRET assay |
Bioorg Med Chem Lett 19: 2435-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.049
BindingDB Entry DOI: 10.7270/Q27D2V1G |
More data for this
Ligand-Target Pair | |
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