Found 35 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50134794
(CHEMBL3746637)Show SMILES CC(C)(C)OC(=O)N1C[C@H](Nc2nc3cc(F)ccc3[nH]2)[C@H](C1)OC(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C29H29FN4O4/c1-29(2,3)38-28(36)34-16-24(33-27-31-22-14-13-21(30)15-23(22)32-27)25(17-34)37-26(35)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-15,24-25H,16-17H2,1-3H3,(H2,31,32,33)/t24-,25-/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 | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) by FRET assay |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50134818
(CHEMBL3746261)Show SMILES CC(C)c1ccc(cc1)C(=O)O[C@H]1CN(C[C@@H]1Nc1nc2cc(F)ccc2[nH]1)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C26H31FN4O4/c1-15(2)16-6-8-17(9-7-16)23(32)34-22-14-31(25(33)35-26(3,4)5)13-21(22)30-24-28-19-11-10-18(27)12-20(19)29-24/h6-12,15,21-22H,13-14H2,1-5H3,(H2,28,29,30)/t21-,22-/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 | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) by FRET assay |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50134917
(CHEMBL3747766)Show SMILES CC(C)(C)OC(=O)N1C[C@H](Nc2nc3cc(F)ccc3[nH]2)[C@H](C1)OCc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C29H31FN4O3/c1-29(2,3)37-28(35)34-16-25(33-27-31-23-14-13-22(30)15-24(23)32-27)26(17-34)36-18-19-9-11-21(12-10-19)20-7-5-4-6-8-20/h4-15,25-26H,16-18H2,1-3H3,(H2,31,32,33)/t25-,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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) by FRET assay |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50134816
(CHEMBL3746752)Show SMILES Cc1ccc2[nH]c(N[C@H]3CN(C[C@@H]3OC(=O)c3cccc(c3)-c3ccc(F)cc3)C(=O)OC(C)(C)C)nc2c1 |r| Show InChI InChI=1S/C30H31FN4O4/c1-18-8-13-23-24(14-18)33-28(32-23)34-25-16-35(29(37)39-30(2,3)4)17-26(25)38-27(36)21-7-5-6-20(15-21)19-9-11-22(31)12-10-19/h5-15,25-26H,16-17H2,1-4H3,(H2,32,33,34)/t25-,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 | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) by FRET assay |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50134219
(CHEMBL3746566)Show SMILES Cc1ccc2[nH]c(N[C@H]3CN(C[C@@H]3OC(=O)c3ccc(cc3)-c3ccccc3)C(=O)OC(C)(C)C)nc2c1 |r| Show InChI InChI=1S/C30H32N4O4/c1-19-10-15-23-24(16-19)32-28(31-23)33-25-17-34(29(36)38-30(2,3)4)18-26(25)37-27(35)22-13-11-21(12-14-22)20-8-6-5-7-9-20/h5-16,25-26H,17-18H2,1-4H3,(H2,31,32,33)/t25-,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 | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) by FRET assay |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50134817
(CHEMBL3746636)Show SMILES CC(C)(C)OC(=O)N1C[C@H](Nc2nc3cc(Cl)ccc3[nH]2)[C@H](C1)OC(=O)c1cccc(Oc2ccccc2)c1 |r| Show InChI InChI=1S/C29H29ClN4O5/c1-29(2,3)39-28(36)34-16-24(33-27-31-22-13-12-19(30)15-23(22)32-27)25(17-34)38-26(35)18-8-7-11-21(14-18)37-20-9-5-4-6-10-20/h4-15,24-25H,16-17H2,1-3H3,(H2,31,32,33)/t24-,25-/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 |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) by FRET assay |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50134824
(CHEMBL3747556)Show SMILES Cc1ccc2[nH]c(N[C@H]3CN(C[C@@H]3OC(=O)c3ccc(cc3)-c3ccccc3)C(=O)c3ccccc3)nc2c1 |r| Show InChI InChI=1S/C32H28N4O3/c1-21-12-17-26-27(18-21)34-32(33-26)35-28-19-36(30(37)24-10-6-3-7-11-24)20-29(28)39-31(38)25-15-13-23(14-16-25)22-8-4-2-5-9-22/h2-18,28-29H,19-20H2,1H3,(H2,33,34,35)/t28-,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 | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) by FRET assay |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50134815
(CHEMBL3747191)Show SMILES CC(C)(C)OC(=O)N1C[C@H](Nc2nc3cc(Cl)ccc3[nH]2)[C@H](C1)OC(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C29H29ClN4O4/c1-29(2,3)38-28(36)34-16-24(33-27-31-22-14-13-21(30)15-23(22)32-27)25(17-34)37-26(35)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-15,24-25H,16-17H2,1-3H3,(H2,31,32,33)/t24-,25-/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 | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) by FRET assay |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50134793
(CHEMBL3745974)Show SMILES COc1ccc2[nH]c(N[C@H]3CN(C[C@@H]3OC(=O)c3ccc(cc3)-c3ccccc3)C(=O)OC(C)(C)C)nc2c1 |r| Show InChI InChI=1S/C30H32N4O5/c1-30(2,3)39-29(36)34-17-25(33-28-31-23-15-14-22(37-4)16-24(23)32-28)26(18-34)38-27(35)21-12-10-20(11-13-21)19-8-6-5-7-9-19/h5-16,25-26H,17-18H2,1-4H3,(H2,31,32,33)/t25-,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 | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) by FRET assay |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50134921
(CHEMBL3746896)Show SMILES CC(C)c1ccc(CO[C@H]2CN(C[C@@H]2Nc2nc3cc(F)ccc3[nH]2)S(=O)(=O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C27H29FN4O3S/c1-18(2)20-10-8-19(9-11-20)17-35-26-16-32(36(33,34)22-6-4-3-5-7-22)15-25(26)31-27-29-23-13-12-21(28)14-24(23)30-27/h3-14,18,25-26H,15-17H2,1-2H3,(H2,29,30,31)/t25-,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 | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) by FRET assay |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50134912
(CHEMBL3745864)Show SMILES COC(=O)CN1C[C@H](Nc2nc3cc(C)ccc3[nH]2)[C@H](C1)OC(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C28H28N4O4/c1-18-8-13-22-23(14-18)30-28(29-22)31-24-15-32(17-26(33)35-2)16-25(24)36-27(34)21-11-9-20(10-12-21)19-6-4-3-5-7-19/h3-14,24-25H,15-17H2,1-2H3,(H2,29,30,31)/t24-,25-/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 | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) by FRET assay |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50134924
(CHEMBL3747119)Show SMILES COc1ccc(cc1)N1CCN(CC1)[C@@H]1CN(CC[C@H]1OC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C36H36Cl2N4O5/c1-45-30-13-9-29(10-14-30)40-17-19-41(20-18-40)33-24-42(36(44)39-28-22-26(37)21-27(38)23-28)16-15-34(33)47-35(43)25-7-11-32(12-8-25)46-31-5-3-2-4-6-31/h2-14,21-23,33-34H,15-20,24H2,1H3,(H,39,44)/t33-,34-/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 | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50134920
(CHEMBL3747445)Show SMILES CCCS(=O)(=O)N1C[C@H](Nc2nc3cc(F)ccc3[nH]2)[C@H](C1)OCc1ccc(cc1)C(C)C |r| Show InChI InChI=1S/C24H31FN4O3S/c1-4-11-33(30,31)29-13-22(28-24-26-20-10-9-19(25)12-21(20)27-24)23(14-29)32-15-17-5-7-18(8-6-17)16(2)3/h5-10,12,16,22-23H,4,11,13-15H2,1-3H3,(H2,26,27,28)/t22-,23-/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 | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) by FRET assay |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50134822
(CHEMBL3745922)Show SMILES Cc1ccc2[nH]c(N[C@H]3CNC[C@@H]3OC(=O)c3ccc(cc3)-c3ccccc3)nc2c1 |r| Show InChI InChI=1S/C25H24N4O2/c1-16-7-12-20-21(13-16)28-25(27-20)29-22-14-26-15-23(22)31-24(30)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-13,22-23,26H,14-15H2,1H3,(H2,27,28,29)/t22-,23-/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 | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) by FRET assay |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50134913
(CHEMBL3747444)Show SMILES CCCS(=O)(=O)N1C[C@H](Nc2nc3cc(F)ccc3[nH]2)[C@H](C1)OC(=O)c1ccc(cc1)C(C)C |r| Show InChI InChI=1S/C24H29FN4O4S/c1-4-11-34(31,32)29-13-21(28-24-26-19-10-9-18(25)12-20(19)27-24)22(14-29)33-23(30)17-7-5-16(6-8-17)15(2)3/h5-10,12,15,21-22H,4,11,13-14H2,1-3H3,(H2,26,27,28)/t21-,22-/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 | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) by FRET assay |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50134915
(CHEMBL3747381)Show SMILES CC(C)c1ccc(cc1)C(=O)O[C@H]1CN(C[C@@H]1Nc1nc2cc(F)ccc2[nH]1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C27H27FN4O4S/c1-17(2)18-8-10-19(11-9-18)26(33)36-25-16-32(37(34,35)21-6-4-3-5-7-21)15-24(25)31-27-29-22-13-12-20(28)14-23(22)30-27/h3-14,17,24-25H,15-16H2,1-2H3,(H2,29,30,31)/t24-,25-/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 | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) by FRET assay |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50134823
(CHEMBL3747247)Show SMILES CC(=O)N1C[C@H](Nc2nc3cc(C)ccc3[nH]2)[C@H](C1)OC(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C27H26N4O3/c1-17-8-13-22-23(14-17)29-27(28-22)30-24-15-31(18(2)32)16-25(24)34-26(33)21-11-9-20(10-12-21)19-6-4-3-5-7-19/h3-14,24-25H,15-16H2,1-2H3,(H2,28,29,30)/t24-,25-/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 | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) by FRET assay |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50134918
(CHEMBL3746656)Show SMILES CC(C)c1ccc(CO[C@H]2CN(C[C@@H]2Nc2nc3cc(F)ccc3[nH]2)C(=O)OC(C)(C)C)cc1 |r| Show InChI InChI=1S/C26H33FN4O3/c1-16(2)18-8-6-17(7-9-18)15-33-23-14-31(25(32)34-26(3,4)5)13-22(23)30-24-28-20-11-10-19(27)12-21(20)29-24/h6-12,16,22-23H,13-15H2,1-5H3,(H2,28,29,30)/t22-,23-/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 | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) by FRET assay |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50134821
(CHEMBL3747274)Show SMILES CN(C)c1ccc(cc1)C(=O)O[C@H]1CN(C[C@@H]1Nc1nc2cc(F)ccc2[nH]1)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C25H30FN5O4/c1-25(2,3)35-24(33)31-13-20(29-23-27-18-11-8-16(26)12-19(18)28-23)21(14-31)34-22(32)15-6-9-17(10-7-15)30(4)5/h6-12,20-21H,13-14H2,1-5H3,(H2,27,28,29)/t20-,21-/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 | 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) by FRET assay |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50134917
(CHEMBL3747766)Show SMILES CC(C)(C)OC(=O)N1C[C@H](Nc2nc3cc(F)ccc3[nH]2)[C@H](C1)OCc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C29H31FN4O3/c1-29(2,3)37-28(35)34-16-25(33-27-31-23-14-13-22(30)15-24(23)32-27)26(17-34)36-18-19-9-11-21(12-10-19)20-7-5-4-6-8-20/h4-15,25-26H,16-18H2,1-3H3,(H2,31,32,33)/t25-,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 | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in human PC12 cells expressing APP Sweden mutant |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50134916
(CHEMBL3746131)Show SMILES CCCS(=O)(=O)N1C[C@H](Nc2nc3cc(F)ccc3[nH]2)[C@H](C1)OC(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C23H28FN5O4S/c1-4-11-34(31,32)29-13-20(27-23-25-18-10-7-16(24)12-19(18)26-23)21(14-29)33-22(30)15-5-8-17(9-6-15)28(2)3/h5-10,12,20-21H,4,11,13-14H2,1-3H3,(H2,25,26,27)/t20-,21-/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 | 3.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) by FRET assay |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50134822
(CHEMBL3745922)Show SMILES Cc1ccc2[nH]c(N[C@H]3CNC[C@@H]3OC(=O)c3ccc(cc3)-c3ccccc3)nc2c1 |r| Show InChI InChI=1S/C25H24N4O2/c1-16-7-12-20-21(13-16)28-25(27-20)29-22-14-26-15-23(22)31-24(30)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-13,22-23,26H,14-15H2,1H3,(H2,27,28,29)/t22-,23-/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 | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in human PC12 cells expressing APP Sweden mutant |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50134822
(CHEMBL3745922)Show SMILES Cc1ccc2[nH]c(N[C@H]3CNC[C@@H]3OC(=O)c3ccc(cc3)-c3ccccc3)nc2c1 |r| Show InChI InChI=1S/C25H24N4O2/c1-16-7-12-20-21(13-16)28-25(27-20)29-22-14-26-15-23(22)31-24(30)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-13,22-23,26H,14-15H2,1H3,(H2,27,28,29)/t22-,23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 (unknown origin) |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50134818
(CHEMBL3746261)Show SMILES CC(C)c1ccc(cc1)C(=O)O[C@H]1CN(C[C@@H]1Nc1nc2cc(F)ccc2[nH]1)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C26H31FN4O4/c1-15(2)16-6-8-17(9-7-16)23(32)34-22-14-31(25(33)35-26(3,4)5)13-21(22)30-24-28-19-11-10-18(27)12-20(19)29-24/h6-12,15,21-22H,13-14H2,1-5H3,(H2,28,29,30)/t21-,22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 (unknown origin) |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50134919
(CHEMBL3746477)Show SMILES CC(C)c1ccc(CO[C@H]2CNC[C@@H]2Nc2nc3cc(F)ccc3[nH]2)cc1 |r| Show InChI InChI=1S/C21H25FN4O/c1-13(2)15-5-3-14(4-6-15)12-27-20-11-23-10-19(20)26-21-24-17-8-7-16(22)9-18(17)25-21/h3-9,13,19-20,23H,10-12H2,1-2H3,(H2,24,25,26)/t19-,20-/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 | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) by FRET assay |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50134923
(CHEMBL3747275)Show SMILES CC(C)c1ccc(CO[C@H]2CN(CC(N)=O)C[C@@H]2Nc2nc3cc(F)ccc3[nH]2)cc1 |r| Show InChI InChI=1S/C23H28FN5O2/c1-14(2)16-5-3-15(4-6-16)13-31-21-11-29(12-22(25)30)10-20(21)28-23-26-18-8-7-17(24)9-19(18)27-23/h3-9,14,20-21H,10-13H2,1-2H3,(H2,25,30)(H2,26,27,28)/t20-,21-/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 | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) by FRET assay |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50134922
(CHEMBL3745980)Show SMILES CC(C)c1ccc(CO[C@H]2CN(CCO)C[C@@H]2Nc2nc3cc(F)ccc3[nH]2)cc1 |r| Show InChI InChI=1S/C23H29FN4O2/c1-15(2)17-5-3-16(4-6-17)14-30-22-13-28(9-10-29)12-21(22)27-23-25-19-8-7-18(24)11-20(19)26-23/h3-8,11,15,21-22,29H,9-10,12-14H2,1-2H3,(H2,25,26,27)/t21-,22-/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 | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) by FRET assay |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50134824
(CHEMBL3747556)Show SMILES Cc1ccc2[nH]c(N[C@H]3CN(C[C@@H]3OC(=O)c3ccc(cc3)-c3ccccc3)C(=O)c3ccccc3)nc2c1 |r| Show InChI InChI=1S/C32H28N4O3/c1-21-12-17-26-27(18-21)34-32(33-26)35-28-19-36(30(37)24-10-6-3-7-11-24)20-29(28)39-31(38)25-15-13-23(14-16-25)22-8-4-2-5-9-22/h2-18,28-29H,19-20H2,1H3,(H2,33,34,35)/t28-,29-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 (unknown origin) |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50134917
(CHEMBL3747766)Show SMILES CC(C)(C)OC(=O)N1C[C@H](Nc2nc3cc(F)ccc3[nH]2)[C@H](C1)OCc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C29H31FN4O3/c1-29(2,3)37-28(35)34-16-25(33-27-31-23-14-13-22(30)15-24(23)32-27)26(17-34)36-18-19-9-11-21(12-10-19)20-7-5-4-6-8-20/h4-15,25-26H,16-18H2,1-3H3,(H2,31,32,33)/t25-,26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 (unknown origin) |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50134917
(CHEMBL3747766)Show SMILES CC(C)(C)OC(=O)N1C[C@H](Nc2nc3cc(F)ccc3[nH]2)[C@H](C1)OCc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C29H31FN4O3/c1-29(2,3)37-28(35)34-16-25(33-27-31-23-14-13-22(30)15-24(23)32-27)26(17-34)36-18-19-9-11-21(12-10-19)20-7-5-4-6-8-20/h4-15,25-26H,16-18H2,1-3H3,(H2,31,32,33)/t25-,26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin D (unknown origin) |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50134822
(CHEMBL3745922)Show SMILES Cc1ccc2[nH]c(N[C@H]3CNC[C@@H]3OC(=O)c3ccc(cc3)-c3ccccc3)nc2c1 |r| Show InChI InChI=1S/C25H24N4O2/c1-16-7-12-20-21(13-16)28-25(27-20)29-22-14-26-15-23(22)31-24(30)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-13,22-23,26H,14-15H2,1H3,(H2,27,28,29)/t22-,23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin D (unknown origin) |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50134794
(CHEMBL3746637)Show SMILES CC(C)(C)OC(=O)N1C[C@H](Nc2nc3cc(F)ccc3[nH]2)[C@H](C1)OC(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C29H29FN4O4/c1-29(2,3)38-28(36)34-16-24(33-27-31-22-14-13-21(30)15-23(22)32-27)25(17-34)37-26(35)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-15,24-25H,16-17H2,1-3H3,(H2,31,32,33)/t24-,25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin D (unknown origin) |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50134818
(CHEMBL3746261)Show SMILES CC(C)c1ccc(cc1)C(=O)O[C@H]1CN(C[C@@H]1Nc1nc2cc(F)ccc2[nH]1)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C26H31FN4O4/c1-15(2)16-6-8-17(9-7-16)23(32)34-22-14-31(25(33)35-26(3,4)5)13-21(22)30-24-28-19-11-10-18(27)12-20(19)29-24/h6-12,15,21-22H,13-14H2,1-5H3,(H2,28,29,30)/t21-,22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin D (unknown origin) |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50134824
(CHEMBL3747556)Show SMILES Cc1ccc2[nH]c(N[C@H]3CN(C[C@@H]3OC(=O)c3ccc(cc3)-c3ccccc3)C(=O)c3ccccc3)nc2c1 |r| Show InChI InChI=1S/C32H28N4O3/c1-21-12-17-26-27(18-21)34-32(33-26)35-28-19-36(30(37)24-10-6-3-7-11-24)20-29(28)39-31(38)25-15-13-23(14-16-25)22-8-4-2-5-9-22/h2-18,28-29H,19-20H2,1H3,(H2,33,34,35)/t28-,29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin D (unknown origin) |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50134794
(CHEMBL3746637)Show SMILES CC(C)(C)OC(=O)N1C[C@H](Nc2nc3cc(F)ccc3[nH]2)[C@H](C1)OC(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C29H29FN4O4/c1-29(2,3)38-28(36)34-16-24(33-27-31-22-14-13-21(30)15-23(22)32-27)25(17-34)37-26(35)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-15,24-25H,16-17H2,1-3H3,(H2,31,32,33)/t24-,25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 (unknown origin) |
Bioorg Med Chem Lett 26: 51-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC |
More data for this
Ligand-Target Pair | |
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