Found 51 hits with Last Name = 'ghilardi' and Initial = 'e' 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)) | BDBM50451411
(CHEMBL4205504)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)Cc1ccccc1 Show InChI InChI=1S/C29H28N2O4S/c1-35-24-15-17-25(18-16-24)36(33,34)30(19-22-9-3-2-4-10-22)20-23(32)21-31-28-13-7-5-11-26(28)27-12-6-8-14-29(27)31/h2-18,23,32H,19-21H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 using acetyl-C(W8044-Eu)-EVNLDAEFK-QSY7 as substrate measured after 60 mins by time-resolved fluorescence quenc... |
Bioorg Med Chem Lett 27: 4812-4816 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.058
BindingDB Entry DOI: 10.7270/Q2K076V7 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50451412
(CHEMBL4211801)Show SMILES OC(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C28H25ClN2O3S/c29-22-14-16-24(17-15-22)35(33,34)30(18-21-8-2-1-3-9-21)19-23(32)20-31-27-12-6-4-10-25(27)26-11-5-7-13-28(26)31/h1-17,23,32H,18-20H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 using acetyl-C(W8044-Eu)-EVNLDAEFK-QSY7 as substrate measured after 60 mins by time-resolved fluorescence quenc... |
Bioorg Med Chem Lett 27: 4812-4816 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.058
BindingDB Entry DOI: 10.7270/Q2K076V7 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50451414
(CHEMBL4208381)Show SMILES OC(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C28H26N2O3S/c31-23(21-30-27-17-9-7-15-25(27)26-16-8-10-18-28(26)30)20-29(19-22-11-3-1-4-12-22)34(32,33)24-13-5-2-6-14-24/h1-18,23,31H,19-21H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 using acetyl-C(W8044-Eu)-EVNLDAEFK-QSY7 as substrate measured after 60 mins by time-resolved fluorescence quenc... |
Bioorg Med Chem Lett 27: 4812-4816 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.058
BindingDB Entry DOI: 10.7270/Q2K076V7 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50330567
(CHEMBL1275915 | N-[(S)-3-(4-Benzhydryl-piperazin-1...)Show SMILES O[C@H](CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C34H38ClN3O3S/c35-31-16-18-33(19-17-31)42(40,41)38(21-20-28-10-4-1-5-11-28)27-32(39)26-36-22-24-37(25-23-36)34(29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-19,32,34,39H,20-27H2/t32-/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 | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence assay |
Bioorg Med Chem 18: 7991-6 (2010)
Article DOI: 10.1016/j.bmc.2010.09.032
BindingDB Entry DOI: 10.7270/Q27944X5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50330566
(CHEMBL1275914 | N-[(R)-3-(4-Benzhydryl-piperazin-1...)Show SMILES O[C@@H](CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C34H38ClN3O3S/c35-31-16-18-33(19-17-31)42(40,41)38(21-20-28-10-4-1-5-11-28)27-32(39)26-36-22-24-37(25-23-36)34(29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-19,32,34,39H,20-27H2/t32-/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 | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence assay |
Bioorg Med Chem 18: 7991-6 (2010)
Article DOI: 10.1016/j.bmc.2010.09.032
BindingDB Entry DOI: 10.7270/Q27944X5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50451420
(CHEMBL4202984)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)c1ccccc1 Show InChI InChI=1S/C28H26N2O4S/c1-34-23-15-17-24(18-16-23)35(32,33)30(21-9-3-2-4-10-21)20-22(31)19-29-27-13-7-5-11-25(27)26-12-6-8-14-28(26)29/h2-18,22,31H,19-20H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 using acetyl-C(W8044-Eu)-EVNLDAEFK-QSY7 as substrate measured after 60 mins by time-resolved fluorescence quenc... |
Bioorg Med Chem Lett 27: 4812-4816 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.058
BindingDB Entry DOI: 10.7270/Q2K076V7 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356525
(CHEMBL1909686)Show SMILES OC(CN(C(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C28H22Cl2N2O2/c29-24-15-14-19(16-25(24)30)28(34)31(20-8-2-1-3-9-20)17-21(33)18-32-26-12-6-4-10-22(26)23-11-5-7-13-27(23)32/h1-16,21,33H,17-18H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50451407
(CHEMBL4211220)Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CCc1ccccc1)CC(O)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C30H30N2O3S/c1-23-15-17-26(18-16-23)36(34,35)31(20-19-24-9-3-2-4-10-24)21-25(33)22-32-29-13-7-5-11-27(29)28-12-6-8-14-30(28)32/h2-18,25,33H,19-22H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 using acetyl-C(W8044-Eu)-EVNLDAEFK-QSY7 as substrate measured after 60 mins by time-resolved fluorescence quenc... |
Bioorg Med Chem Lett 27: 4812-4816 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.058
BindingDB Entry DOI: 10.7270/Q2K076V7 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50451422
(CHEMBL4207174)Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)c1ccccc1 Show InChI InChI=1S/C28H26N2O3S/c1-21-15-17-24(18-16-21)34(32,33)30(22-9-3-2-4-10-22)20-23(31)19-29-27-13-7-5-11-25(27)26-12-6-8-14-28(26)29/h2-18,23,31H,19-20H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 using acetyl-C(W8044-Eu)-EVNLDAEFK-QSY7 as substrate measured after 60 mins by time-resolved fluorescence quenc... |
Bioorg Med Chem Lett 27: 4812-4816 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.058
BindingDB Entry DOI: 10.7270/Q2K076V7 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50451409
(CHEMBL4204582)Show SMILES OC(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C28H25ClN2O3S/c29-22-16-14-21(15-17-22)18-30(35(33,34)24-8-2-1-3-9-24)19-23(32)20-31-27-12-6-4-10-25(27)26-11-5-7-13-28(26)31/h1-17,23,32H,18-20H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 using acetyl-C(W8044-Eu)-EVNLDAEFK-QSY7 as substrate measured after 60 mins by time-resolved fluorescence quenc... |
Bioorg Med Chem Lett 27: 4812-4816 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.058
BindingDB Entry DOI: 10.7270/Q2K076V7 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50451413
(CHEMBL4218068)Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)Cc1ccccc1 Show InChI InChI=1S/C29H28N2O3S/c1-22-15-17-25(18-16-22)35(33,34)30(19-23-9-3-2-4-10-23)20-24(32)21-31-28-13-7-5-11-26(28)27-12-6-8-14-29(27)31/h2-18,24,32H,19-21H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 using acetyl-C(W8044-Eu)-EVNLDAEFK-QSY7 as substrate measured after 60 mins by time-resolved fluorescence quenc... |
Bioorg Med Chem Lett 27: 4812-4816 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.058
BindingDB Entry DOI: 10.7270/Q2K076V7 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50451408
(CHEMBL4204309)Show SMILES OC(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C29H28N2O3S/c32-24(22-31-28-17-9-7-15-26(28)27-16-8-10-18-29(27)31)21-30(20-19-23-11-3-1-4-12-23)35(33,34)25-13-5-2-6-14-25/h1-18,24,32H,19-22H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 using acetyl-C(W8044-Eu)-EVNLDAEFK-QSY7 as substrate measured after 60 mins by time-resolved fluorescence quenc... |
Bioorg Med Chem Lett 27: 4812-4816 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.058
BindingDB Entry DOI: 10.7270/Q2K076V7 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50451421
(CHEMBL4208775)Show SMILES OC(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C27H23ClN2O3S/c28-20-14-16-23(17-15-20)34(32,33)30(21-8-2-1-3-9-21)19-22(31)18-29-26-12-6-4-10-24(26)25-11-5-7-13-27(25)29/h1-17,22,31H,18-19H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 using acetyl-C(W8044-Eu)-EVNLDAEFK-QSY7 as substrate measured after 60 mins by time-resolved fluorescence quenc... |
Bioorg Med Chem Lett 27: 4812-4816 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.058
BindingDB Entry DOI: 10.7270/Q2K076V7 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356521
(CHEMBL579169 | GNF-PF-1829)Show InChI InChI=1S/C25H22N2O/c28-19(16-26-23-13-7-9-18-8-1-2-10-20(18)23)17-27-24-14-5-3-11-21(24)22-12-4-6-15-25(22)27/h1-15,19,26,28H,16-17H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM114021
(MLS000574307 | N-(3-carbazol-9-yl-2-hydroxy-propyl...)Show SMILES OC(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C27H24N2O3S/c30-22(19-28-26-17-9-7-15-24(26)25-16-8-10-18-27(25)28)20-29(21-11-3-1-4-12-21)33(31,32)23-13-5-2-6-14-23/h1-18,22,30H,19-20H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 using acetyl-C(W8044-Eu)-EVNLDAEFK-QSY7 as substrate measured after 60 mins by time-resolved fluorescence quenc... |
Bioorg Med Chem Lett 27: 4812-4816 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.058
BindingDB Entry DOI: 10.7270/Q2K076V7 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50451406
(CHEMBL4206849)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCc1ccccc1)CC(O)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C30H30N2O4S/c1-36-25-15-17-26(18-16-25)37(34,35)31(20-19-23-9-3-2-4-10-23)21-24(33)22-32-29-13-7-5-11-27(29)28-12-6-8-14-30(28)32/h2-18,24,33H,19-22H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 using acetyl-C(W8044-Eu)-EVNLDAEFK-QSY7 as substrate measured after 60 mins by time-resolved fluorescence quenc... |
Bioorg Med Chem Lett 27: 4812-4816 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.058
BindingDB Entry DOI: 10.7270/Q2K076V7 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50451403
(CHEMBL4217236)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)C1CCCCC1 Show InChI InChI=1S/C28H32N2O4S/c1-34-23-15-17-24(18-16-23)35(32,33)30(21-9-3-2-4-10-21)20-22(31)19-29-27-13-7-5-11-25(27)26-12-6-8-14-28(26)29/h5-8,11-18,21-22,31H,2-4,9-10,19-20H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 using acetyl-C(W8044-Eu)-EVNLDAEFK-QSY7 as substrate measured after 60 mins by time-resolved fluorescence quenc... |
Bioorg Med Chem Lett 27: 4812-4816 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.058
BindingDB Entry DOI: 10.7270/Q2K076V7 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50451417
(CHEMBL4202435)Show SMILES OC(CN(c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C28H23F3N2O3S/c29-28(30,31)20-14-16-21(17-15-20)33(37(35,36)23-8-2-1-3-9-23)19-22(34)18-32-26-12-6-4-10-24(26)25-11-5-7-13-27(25)32/h1-17,22,34H,18-19H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 using acetyl-C(W8044-Eu)-EVNLDAEFK-QSY7 as substrate measured after 60 mins by time-resolved fluorescence quenc... |
Bioorg Med Chem Lett 27: 4812-4816 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.058
BindingDB Entry DOI: 10.7270/Q2K076V7 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356524
(CHEMBL1909685)Show SMILES COc1ccc(cc1)C(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)c1ccccc1 Show InChI InChI=1S/C29H26N2O3/c1-34-24-17-15-21(16-18-24)29(33)30(22-9-3-2-4-10-22)19-23(32)20-31-27-13-7-5-11-25(27)26-12-6-8-14-28(26)31/h2-18,23,32H,19-20H2,1H3 | PDB
MMDB
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B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50451416
(CHEMBL4204042)Show SMILES OC(CN(c1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C27H23N3O5S/c31-22(18-28-26-12-6-4-10-24(26)25-11-5-7-13-27(25)28)19-29(20-14-16-21(17-15-20)30(32)33)36(34,35)23-8-2-1-3-9-23/h1-17,22,31H,18-19H2 | PDB
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KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 using acetyl-C(W8044-Eu)-EVNLDAEFK-QSY7 as substrate measured after 60 mins by time-resolved fluorescence quenc... |
Bioorg Med Chem Lett 27: 4812-4816 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.058
BindingDB Entry DOI: 10.7270/Q2K076V7 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50451401
(CHEMBL4206331)Show SMILES OC(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C29H27ClN2O3S/c30-23-14-16-25(17-15-23)36(34,35)31(19-18-22-8-2-1-3-9-22)20-24(33)21-32-28-12-6-4-10-26(28)27-11-5-7-13-29(27)32/h1-17,24,33H,18-21H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 using acetyl-C(W8044-Eu)-EVNLDAEFK-QSY7 as substrate measured after 60 mins by time-resolved fluorescence quenc... |
Bioorg Med Chem Lett 27: 4812-4816 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.058
BindingDB Entry DOI: 10.7270/Q2K076V7 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50451404
(CHEMBL4208507)Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)C1CCCCC1 Show InChI InChI=1S/C28H32N2O3S/c1-21-15-17-24(18-16-21)34(32,33)30(22-9-3-2-4-10-22)20-23(31)19-29-27-13-7-5-11-25(27)26-12-6-8-14-28(26)29/h5-8,11-18,22-23,31H,2-4,9-10,19-20H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 using acetyl-C(W8044-Eu)-EVNLDAEFK-QSY7 as substrate measured after 60 mins by time-resolved fluorescence quenc... |
Bioorg Med Chem Lett 27: 4812-4816 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.058
BindingDB Entry DOI: 10.7270/Q2K076V7 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50451405
(CHEMBL4218591)Show SMILES OC(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C27H30N2O3S/c30-22(19-28-26-17-9-7-15-24(26)25-16-8-10-18-27(25)28)20-29(21-11-3-1-4-12-21)33(31,32)23-13-5-2-6-14-23/h2,5-10,13-18,21-22,30H,1,3-4,11-12,19-20H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 using acetyl-C(W8044-Eu)-EVNLDAEFK-QSY7 as substrate measured after 60 mins by time-resolved fluorescence quenc... |
Bioorg Med Chem Lett 27: 4812-4816 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.058
BindingDB Entry DOI: 10.7270/Q2K076V7 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50330573
(CHEMBL1276932 | N-[(S)-3-(4-Benzhydryl-piperazin-1...)Show SMILES O[C@H](CN(CC1CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C30H35Cl2N3O3S/c31-28-14-13-27(19-29(28)32)39(37,38)35(20-23-11-12-23)22-26(36)21-33-15-17-34(18-16-33)30(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-10,13-14,19,23,26,30,36H,11-12,15-18,20-22H2/t26-/m0/s1 | PDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence assay |
Bioorg Med Chem 18: 7991-6 (2010)
Article DOI: 10.1016/j.bmc.2010.09.032
BindingDB Entry DOI: 10.7270/Q27944X5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356523
(CHEMBL1909684)Show SMILES OC(CN(C(=O)c1ccc(Cl)cc1)c1ccccc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C28H23ClN2O2/c29-21-16-14-20(15-17-21)28(33)30(22-8-2-1-3-9-22)18-23(32)19-31-26-12-6-4-10-24(26)25-11-5-7-13-27(25)31/h1-17,23,32H,18-19H2 | PDB
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B.MOAD
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356519
(CHEMBL1909699)Show SMILES OC(CN(CCc1ccccc1)C(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C30H28N2O2/c33-25(22-32-28-17-9-7-15-26(28)27-16-8-10-18-29(27)32)21-31(20-19-23-11-3-1-4-12-23)30(34)24-13-5-2-6-14-24/h1-18,25,33H,19-22H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50330570
(CHEMBL1278097 | N-[(R)-3-(4-Benzhydryl-piperazin-1...)Show SMILES O[C@@H](CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C34H39N3O3S/c38-32(28-37(22-21-29-13-5-1-6-14-29)41(39,40)33-19-11-4-12-20-33)27-35-23-25-36(26-24-35)34(30-15-7-2-8-16-30)31-17-9-3-10-18-31/h1-20,32,34,38H,21-28H2/t32-/m1/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence assay |
Bioorg Med Chem 18: 7991-6 (2010)
Article DOI: 10.1016/j.bmc.2010.09.032
BindingDB Entry DOI: 10.7270/Q27944X5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50330572
(CHEMBL1276846 | N-[(R)-3-(4-Benzhydryl-piperazin-1...)Show SMILES O[C@@H](CN(CC1CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C30H35Cl2N3O3S/c31-28-14-13-27(19-29(28)32)39(37,38)35(20-23-11-12-23)22-26(36)21-33-15-17-34(18-16-33)30(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-10,13-14,19,23,26,30,36H,11-12,15-18,20-22H2/t26-/m1/s1 | PDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence assay |
Bioorg Med Chem 18: 7991-6 (2010)
Article DOI: 10.1016/j.bmc.2010.09.032
BindingDB Entry DOI: 10.7270/Q27944X5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50330569
(CHEMBL1278005 | N-[(S)-3-(4-Benzhydryl-piperazin-1...)Show SMILES O[C@H](CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C33H36ClN3O3S/c34-30-16-18-32(19-17-30)41(39,40)37(24-27-10-4-1-5-11-27)26-31(38)25-35-20-22-36(23-21-35)33(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-19,31,33,38H,20-26H2/t31-/m0/s1 | PDB
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B.MOAD
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence assay |
Bioorg Med Chem 18: 7991-6 (2010)
Article DOI: 10.1016/j.bmc.2010.09.032
BindingDB Entry DOI: 10.7270/Q27944X5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50451402
(CHEMBL4204985)Show SMILES COc1ccc(CN(CC(O)Cn2c3ccccc3c3ccccc23)S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C29H28N2O4S/c1-35-24-17-15-22(16-18-24)19-30(36(33,34)25-9-3-2-4-10-25)20-23(32)21-31-28-13-7-5-11-26(28)27-12-6-8-14-29(27)31/h2-18,23,32H,19-21H2,1H3 | PDB
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antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 using acetyl-C(W8044-Eu)-EVNLDAEFK-QSY7 as substrate measured after 60 mins by time-resolved fluorescence quenc... |
Bioorg Med Chem Lett 27: 4812-4816 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.058
BindingDB Entry DOI: 10.7270/Q2K076V7 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50330568
(CHEMBL1277921 | N-[(R)-3-(4-Benzhydryl-piperazin-1...)Show SMILES O[C@@H](CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C33H36ClN3O3S/c34-30-16-18-32(19-17-30)41(39,40)37(24-27-10-4-1-5-11-27)26-31(38)25-35-20-22-36(23-21-35)33(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-19,31,33,38H,20-26H2/t31-/m1/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence assay |
Bioorg Med Chem 18: 7991-6 (2010)
Article DOI: 10.1016/j.bmc.2010.09.032
BindingDB Entry DOI: 10.7270/Q27944X5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50451400
(CHEMBL4212215)Show SMILES OC(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C27H29ClN2O3S/c28-20-14-16-23(17-15-20)34(32,33)30(21-8-2-1-3-9-21)19-22(31)18-29-26-12-6-4-10-24(26)25-11-5-7-13-27(25)29/h4-7,10-17,21-22,31H,1-3,8-9,18-19H2 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 using acetyl-C(W8044-Eu)-EVNLDAEFK-QSY7 as substrate measured after 60 mins by time-resolved fluorescence quenc... |
Bioorg Med Chem Lett 27: 4812-4816 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.058
BindingDB Entry DOI: 10.7270/Q2K076V7 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50330571
(CHEMBL1278188 | N-[(S)-3-(4-Benzhydryl-piperazin-1...)Show SMILES O[C@H](CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C34H39N3O3S/c38-32(28-37(22-21-29-13-5-1-6-14-29)41(39,40)33-19-11-4-12-20-33)27-35-23-25-36(26-24-35)34(30-15-7-2-8-16-30)31-17-9-3-10-18-31/h1-20,32,34,38H,21-28H2/t32-/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 | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence assay |
Bioorg Med Chem 18: 7991-6 (2010)
Article DOI: 10.1016/j.bmc.2010.09.032
BindingDB Entry DOI: 10.7270/Q27944X5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50451419
(CHEMBL4204085)Show SMILES Cc1ccc(cc1)N(CC(O)Cn1c2ccccc2c2ccccc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C28H26N2O3S/c1-21-15-17-22(18-16-21)30(34(32,33)24-9-3-2-4-10-24)20-23(31)19-29-27-13-7-5-11-25(27)26-12-6-8-14-28(26)29/h2-18,23,31H,19-20H2,1H3 | PDB
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KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 using acetyl-C(W8044-Eu)-EVNLDAEFK-QSY7 as substrate measured after 60 mins by time-resolved fluorescence quenc... |
Bioorg Med Chem Lett 27: 4812-4816 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.058
BindingDB Entry DOI: 10.7270/Q2K076V7 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356529
(CHEMBL1909690)Show SMILES OC(CN(C(=O)c1ccccc1)c1ccc(F)cc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C28H23FN2O2/c29-21-14-16-22(17-15-21)30(28(33)20-8-2-1-3-9-20)18-23(32)19-31-26-12-6-4-10-24(26)25-11-5-7-13-27(25)31/h1-17,23,32H,18-19H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356528
(CHEMBL1909689)Show SMILES OC(CN(C(=O)c1ccccc1)c1ccc(Cl)cc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C28H23ClN2O2/c29-21-14-16-22(17-15-21)30(28(33)20-8-2-1-3-9-20)18-23(32)19-31-26-12-6-4-10-24(26)25-11-5-7-13-27(25)31/h1-17,23,32H,18-19H2 | PDB
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KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356520
(CHEMBL1909700)Show SMILES OC(CN(C1CCCCC1)C(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C28H30N2O2/c31-23(20-30-26-17-9-7-15-24(26)25-16-8-10-18-27(25)30)19-29(22-13-5-2-6-14-22)28(32)21-11-3-1-4-12-21/h1,3-4,7-12,15-18,22-23,31H,2,5-6,13-14,19-20H2 | PDB
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| CHEMBL
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UniChem
| Article
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356517
(CHEMBL1909697)Show SMILES Cc1ccc(CN(CC(O)Cn2c3ccccc3c3ccccc23)C(=O)c2ccccc2)cc1 Show InChI InChI=1S/C30H28N2O2/c1-22-15-17-23(18-16-22)19-31(30(34)24-9-3-2-4-10-24)20-25(33)21-32-28-13-7-5-11-26(28)27-12-6-8-14-29(27)32/h2-18,25,33H,19-21H2,1H3 | PDB
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| CHEMBL
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UniChem
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PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50451410
(CHEMBL4218977)Show SMILES Cc1ccc(CN(CC(O)Cn2c3ccccc3c3ccccc23)S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C29H28N2O3S/c1-22-15-17-23(18-16-22)19-30(35(33,34)25-9-3-2-4-10-25)20-24(32)21-31-28-13-7-5-11-26(28)27-12-6-8-14-29(27)31/h2-18,24,32H,19-21H2,1H3 | PDB
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| PC cid
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UniChem
| Article
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 using acetyl-C(W8044-Eu)-EVNLDAEFK-QSY7 as substrate measured after 60 mins by time-resolved fluorescence quenc... |
Bioorg Med Chem Lett 27: 4812-4816 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.058
BindingDB Entry DOI: 10.7270/Q2K076V7 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356526
(CHEMBL1909687)Show SMILES OC(CN(C(=O)c1ccccc1)c1ccc(cc1)C(F)(F)F)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C29H23F3N2O2/c30-29(31,32)21-14-16-22(17-15-21)33(28(36)20-8-2-1-3-9-20)18-23(35)19-34-26-12-6-4-10-24(26)25-11-5-7-13-27(25)34/h1-17,23,35H,18-19H2 | PDB
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UniChem
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PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356518
(CHEMBL1909698)Show SMILES COc1ccc(CN(CC(O)Cn2c3ccccc3c3ccccc23)C(=O)c2ccccc2)cc1 Show InChI InChI=1S/C30H28N2O3/c1-35-25-17-15-22(16-18-25)19-31(30(34)23-9-3-2-4-10-23)20-24(33)21-32-28-13-7-5-11-26(28)27-12-6-8-14-29(27)32/h2-18,24,33H,19-21H2,1H3 | PDB
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| CHEMBL
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PC sid
UniChem
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PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356534
(CHEMBL1909695)Show SMILES OC(CN(Cc1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C29H24Cl2N2O2/c30-25-15-14-21(16-26(25)31)29(35)32(17-20-8-2-1-3-9-20)18-22(34)19-33-27-12-6-4-10-23(27)24-11-5-7-13-28(24)33/h1-16,22,34H,17-19H2 | PDB
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antibodypedia
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| CHEMBL
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PC sid
UniChem
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PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356516
(CHEMBL1909696)Show SMILES OC(CN(Cc1ccc(Cl)cc1)C(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C29H25ClN2O2/c30-23-16-14-21(15-17-23)18-31(29(34)22-8-2-1-3-9-22)19-24(33)20-32-27-12-6-4-10-25(27)26-11-5-7-13-28(26)32/h1-17,24,33H,18-20H2 | PDB
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antibodypedia
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50451415
(CHEMBL4208920)Show SMILES OC(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C27H23FN2O3S/c28-20-14-16-21(17-15-20)30(34(32,33)23-8-2-1-3-9-23)19-22(31)18-29-26-12-6-4-10-24(26)25-11-5-7-13-27(25)29/h1-17,22,31H,18-19H2 | PDB
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antibodypedia
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| PC cid
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UniChem
| Article
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 using acetyl-C(W8044-Eu)-EVNLDAEFK-QSY7 as substrate measured after 60 mins by time-resolved fluorescence quenc... |
Bioorg Med Chem Lett 27: 4812-4816 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.058
BindingDB Entry DOI: 10.7270/Q2K076V7 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356522
(CHEMBL1909683)Show SMILES OC(CN(C(=O)c1ccccc1)c1ccccc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C28H24N2O2/c31-23(20-30-26-17-9-7-15-24(26)25-16-8-10-18-27(25)30)19-29(22-13-5-2-6-14-22)28(32)21-11-3-1-4-12-21/h1-18,23,31H,19-20H2 | PDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356531
(CHEMBL1909692)Show SMILES OC(CN(Cc1ccccc1)C(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C29H26N2O2/c32-24(21-31-27-17-9-7-15-25(27)26-16-8-10-18-28(26)31)20-30(19-22-11-3-1-4-12-22)29(33)23-13-5-2-6-14-23/h1-18,24,32H,19-21H2 | PDB
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| CHEMBL
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PC sid
UniChem
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PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50451418
(CHEMBL4215297)Show SMILES OC(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C27H23ClN2O3S/c28-20-14-16-21(17-15-20)30(34(32,33)23-8-2-1-3-9-23)19-22(31)18-29-26-12-6-4-10-24(26)25-11-5-7-13-27(25)29/h1-17,22,31H,18-19H2 | PDB
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antibodypedia
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| PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 using acetyl-C(W8044-Eu)-EVNLDAEFK-QSY7 as substrate measured after 60 mins by time-resolved fluorescence quenc... |
Bioorg Med Chem Lett 27: 4812-4816 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.058
BindingDB Entry DOI: 10.7270/Q2K076V7 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356532
(CHEMBL1909693)Show SMILES OC(CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C29H25ClN2O2/c30-23-16-14-22(15-17-23)29(34)31(18-21-8-2-1-3-9-21)19-24(33)20-32-27-12-6-4-10-25(27)26-11-5-7-13-28(26)32/h1-17,24,33H,18-20H2 | PDB
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UniChem
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PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356533
(CHEMBL1909694)Show SMILES COc1ccc(cc1)C(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)Cc1ccccc1 Show InChI InChI=1S/C30H28N2O3/c1-35-25-17-15-23(16-18-25)30(34)31(19-22-9-3-2-4-10-22)20-24(33)21-32-28-13-7-5-11-26(28)27-12-6-8-14-29(27)32/h2-18,24,33H,19-21H2,1H3 | PDB
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antibodypedia
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| CHEMBL
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UniChem
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PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356530
(CHEMBL1909691)Show SMILES Cc1ccc(cc1)N(CC(O)Cn1c2ccccc2c2ccccc12)C(=O)c1ccccc1 Show InChI InChI=1S/C29H26N2O2/c1-21-15-17-23(18-16-21)30(29(33)22-9-3-2-4-10-22)19-24(32)20-31-27-13-7-5-11-25(27)26-12-6-8-14-28(26)31/h2-18,24,32H,19-20H2,1H3 | PDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
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