Found 39 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)) | BDBM50310150
((S)-2-amino-4-(2,6-diethylpyridin-4-yl)-4-(3-(2-fl...)Show SMILES CCc1cc(cc(CC)n1)[C@@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F |r,t:12| Show InChI InChI=1S/C24H24FN5O/c1-4-18-13-17(14-19(5-2)28-18)24(22(31)30(3)23(26)29-24)16-9-6-8-15(12-16)20-10-7-11-27-21(20)25/h6-14H,4-5H2,1-3H3,(H2,26,29)/t24-/m0/s1 | PDB
MMDB
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B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human BACE1 by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50310150
((S)-2-amino-4-(2,6-diethylpyridin-4-yl)-4-(3-(2-fl...)Show SMILES CCc1cc(cc(CC)n1)[C@@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F |r,t:12| Show InChI InChI=1S/C24H24FN5O/c1-4-18-13-17(14-19(5-2)28-18)24(22(31)30(3)23(26)29-24)16-9-6-8-15(12-16)20-10-7-11-27-21(20)25/h6-14H,4-5H2,1-3H3,(H2,26,29)/t24-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human BACE1 by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50303717
(2-amino-4-(3-(2-fluoropyridin-3-yl)phenyl)-4-(4-me...)Show SMILES COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F |t:11| Show InChI InChI=1S/C23H21FN4O2/c1-14-12-17(9-10-19(14)30-3)23(21(29)28(2)22(25)27-23)16-7-4-6-15(13-16)18-8-5-11-26-20(18)24/h4-13H,1-3H3,(H2,25,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human BACE1 by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50310162
((5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-...)Show SMILES CCc1cc(cc(CC)n1)[C@@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |r,t:12| Show InChI InChI=1S/C23H24N6O/c1-4-19-10-18(11-20(5-2)27-19)23(21(30)29(3)22(24)28-23)17-8-6-7-15(9-17)16-12-25-14-26-13-16/h6-14H,4-5H2,1-3H3,(H2,24,28)/t23-/m0/s1 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human BACE1 by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50310158
(CHEMBL598259 | rac-2-amino-4-(2-ethylpyridin-4-yl)...)Show SMILES CCc1cc(ccn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:10| Show InChI InChI=1S/C21H20N6O/c1-3-18-10-17(7-8-25-18)21(19(28)27(2)20(22)26-21)16-6-4-5-14(9-16)15-11-23-13-24-12-15/h4-13H,3H2,1-2H3,(H2,22,26) | PDB
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human BACE1 by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50303719
(2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-4-(3...)Show SMILES COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:11| Show InChI InChI=1S/C23H22N4O2/c1-15-12-19(9-10-20(15)29-3)23(21(28)27(2)22(24)26-23)18-8-4-6-16(13-18)17-7-5-11-25-14-17/h4-14H,1-3H3,(H2,24,26) | PDB
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PC cid
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| PDB
Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human BACE1 by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50310152
(CHEMBL597277 | rac-2-amino-4-(2,6-diethylpyridin-4...)Show SMILES CCc1cc(cc(CC)n1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:12| Show InChI InChI=1S/C23H24N6O/c1-4-19-10-18(11-20(5-2)27-19)23(21(30)29(3)22(24)28-23)17-8-6-7-15(9-17)16-12-25-14-26-13-16/h6-14H,4-5H2,1-3H3,(H2,24,28) | PDB
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| PDB
Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human BACE1 by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50310155
(2-amino-1-methyl-4-(3-(pyridin-3-yl)phenyl)-4-(pyr...)Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccnc1 |c:3| Show InChI InChI=1S/C20H17N5O/c1-25-18(26)20(24-19(25)21,16-7-10-22-11-8-16)17-6-2-4-14(12-17)15-5-3-9-23-13-15/h2-13H,1H3,(H2,21,24) | PDB
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| PDB
Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human BACE1 by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50310159
(CHEMBL590492 | rac-2-amino-4-(2-isopropylpyridin-4...)Show SMILES CC(C)c1cc(ccn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:11| Show InChI InChI=1S/C22H22N6O/c1-14(2)19-10-18(7-8-26-19)22(20(29)28(3)21(23)27-22)17-6-4-5-15(9-17)16-11-24-13-25-12-16/h4-14H,1-3H3,(H2,23,27) | PDB
MMDB
KEGG
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human BACE1 by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50310157
(CHEMBL598258 | rac-2-amino-1-methyl-4-(2-methylpyr...)Show SMILES CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cncnc1)c1ccnc(C)c1 |c:3| Show InChI InChI=1S/C20H18N6O/c1-13-8-17(6-7-24-13)20(18(27)26(2)19(21)25-20)16-5-3-4-14(9-16)15-10-22-12-23-11-15/h3-12H,1-2H3,(H2,21,25) | PDB
MMDB
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GoogleScholar
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human BACE1 by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50310156
(CHEMBL598257 | rac-2-amino-1-methyl-4-(2-methylpyr...)Show SMILES CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cccnc1)c1ccnc(C)c1 |c:3| Show InChI InChI=1S/C21H19N5O/c1-14-11-18(8-10-24-14)21(19(27)26(2)20(22)25-21)17-7-3-5-15(12-17)16-6-4-9-23-13-16/h3-13H,1-2H3,(H2,22,25) | PDB
MMDB
KEGG
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B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human BACE1 by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50310149
(2-amino-4-(biphenyl-3-yl)-1-methyl-4-(pyridin-4-yl...)Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1ccccc1 |c:3| Show InChI InChI=1S/C21H18N4O/c1-25-19(26)21(24-20(25)22,17-10-12-23-13-11-17)18-9-5-8-16(14-18)15-6-3-2-4-7-15/h2-14H,1H3,(H2,22,24) | PDB
MMDB
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human BACE1 by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50310149
(2-amino-4-(biphenyl-3-yl)-1-methyl-4-(pyridin-4-yl...)Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1ccccc1 |c:3| Show InChI InChI=1S/C21H18N4O/c1-25-19(26)21(24-20(25)22,17-10-12-23-13-11-17)18-9-5-8-16(14-18)15-6-3-2-4-7-15/h2-14H,1H3,(H2,22,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human BACE2 by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50310151
(CHEMBL597062 | rac-2-amino-4-(2,6-dimethylpyridin-...)Show SMILES CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cncnc1)c1cc(C)nc(C)c1 |c:3| Show InChI InChI=1S/C21H20N6O/c1-13-7-18(8-14(2)25-13)21(19(28)27(3)20(22)26-21)17-6-4-5-15(9-17)16-10-23-12-24-11-16/h4-12H,1-3H3,(H2,22,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human BACE1 by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50310160
(CHEMBL603664 | rac-2-amino-4-(2-ethyl-6-methylpyri...)Show SMILES CCc1cc(cc(C)n1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:11| Show InChI InChI=1S/C22H22N6O/c1-4-19-10-18(8-14(2)26-19)22(20(29)28(3)21(23)27-22)17-7-5-6-15(9-17)16-11-24-13-25-12-16/h5-13H,4H2,1-3H3,(H2,23,27) | PDB
MMDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human BACE1 by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50310161
(CHEMBL597073 | rac-2-amino-4-(2-isopropyl-6-methyl...)Show SMILES CC(C)c1cc(cc(C)n1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:12| Show InChI InChI=1S/C23H24N6O/c1-14(2)20-10-19(8-15(3)27-20)23(21(30)29(4)22(24)28-23)18-7-5-6-16(9-18)17-11-25-13-26-12-17/h5-14H,1-4H3,(H2,24,28) | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human BACE1 by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50310155
(2-amino-1-methyl-4-(3-(pyridin-3-yl)phenyl)-4-(pyr...)Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccnc1 |c:3| Show InChI InChI=1S/C20H17N5O/c1-25-18(26)20(24-19(25)21,16-7-10-22-11-8-16)17-6-2-4-14(12-17)15-5-3-9-23-13-15/h2-13H,1H3,(H2,21,24) | PDB
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antibodypedia
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PubMed
| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human BACE2 by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50300229
(1-methyl-4,4-diphenyl-4,5-dihydro-1H-imidazol-2-am...)Show InChI InChI=1S/C16H15N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H2,17,18) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human BACE2 by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50303717
(2-amino-4-(3-(2-fluoropyridin-3-yl)phenyl)-4-(4-me...)Show SMILES COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F |t:11| Show InChI InChI=1S/C23H21FN4O2/c1-14-12-17(9-10-19(14)30-3)23(21(29)28(2)22(25)27-23)16-7-4-6-15(13-16)18-8-5-11-26-20(18)24/h4-13H,1-3H3,(H2,25,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human BACE2 by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50303719
(2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-4-(3...)Show SMILES COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:11| Show InChI InChI=1S/C23H22N4O2/c1-15-12-19(9-10-20(15)29-3)23(21(28)27(2)22(24)26-23)18-8-4-6-16(13-18)17-7-5-11-25-14-17/h4-14H,1-3H3,(H2,24,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 790 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human BACE2 by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50310158
(CHEMBL598259 | rac-2-amino-4-(2-ethylpyridin-4-yl)...)Show SMILES CCc1cc(ccn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:10| Show InChI InChI=1S/C21H20N6O/c1-3-18-10-17(7-8-25-18)21(19(28)27(2)20(22)26-21)16-6-4-5-14(9-16)15-11-23-13-24-12-15/h4-13H,3H2,1-2H3,(H2,22,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human BACE2 by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50310156
(CHEMBL598257 | rac-2-amino-1-methyl-4-(2-methylpyr...)Show SMILES CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cccnc1)c1ccnc(C)c1 |c:3| Show InChI InChI=1S/C21H19N5O/c1-14-11-18(8-10-24-14)21(19(27)26(2)20(22)25-21)17-7-3-5-15(12-17)16-6-4-9-23-13-16/h3-13H,1-2H3,(H2,22,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human BACE2 by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50310154
(2-amino-1-methyl-4-phenyl-4-(pyridin-4-yl)-1H-imid...)Show InChI InChI=1S/C15H14N4O/c1-19-13(20)15(18-14(19)16,11-5-3-2-4-6-11)12-7-9-17-10-8-12/h2-10H,1H3,(H2,16,18) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human BACE2 by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50310157
(CHEMBL598258 | rac-2-amino-1-methyl-4-(2-methylpyr...)Show SMILES CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cncnc1)c1ccnc(C)c1 |c:3| Show InChI InChI=1S/C20H18N6O/c1-13-8-17(6-7-24-13)20(18(27)26(2)19(21)25-20)16-5-3-4-14(9-16)15-10-22-12-23-11-15/h3-12H,1-2H3,(H2,21,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human BACE2 by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50303717
(2-amino-4-(3-(2-fluoropyridin-3-yl)phenyl)-4-(4-me...)Show SMILES COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F |t:11| Show InChI InChI=1S/C23H21FN4O2/c1-14-12-17(9-10-19(14)30-3)23(21(29)28(2)22(25)27-23)16-7-4-6-15(13-16)18-8-5-11-26-20(18)24/h4-13H,1-3H3,(H2,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin D by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50310154
(2-amino-1-methyl-4-phenyl-4-(pyridin-4-yl)-1H-imid...)Show InChI InChI=1S/C15H14N4O/c1-19-13(20)15(18-14(19)16,11-5-3-2-4-6-11)12-7-9-17-10-8-12/h2-10H,1H3,(H2,16,18) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human BACE1 by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50300229
(1-methyl-4,4-diphenyl-4,5-dihydro-1H-imidazol-2-am...)Show InChI InChI=1S/C16H15N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H2,17,18) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human BACE1 by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50310159
(CHEMBL590492 | rac-2-amino-4-(2-isopropylpyridin-4...)Show SMILES CC(C)c1cc(ccn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:11| Show InChI InChI=1S/C22H22N6O/c1-14(2)19-10-18(7-8-26-19)22(20(29)28(3)21(23)27-22)17-6-4-5-15(9-17)16-11-24-13-25-12-16/h4-14H,1-3H3,(H2,23,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human BACE2 by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50310150
((S)-2-amino-4-(2,6-diethylpyridin-4-yl)-4-(3-(2-fl...)Show SMILES CCc1cc(cc(CC)n1)[C@@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F |r,t:12| Show InChI InChI=1S/C24H24FN5O/c1-4-18-13-17(14-19(5-2)28-18)24(22(31)30(3)23(26)29-24)16-9-6-8-15(12-16)20-10-7-11-27-21(20)25/h6-14H,4-5H2,1-3H3,(H2,26,29)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human BACE2 by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50310153
((R)-2-amino-4-(2,6-diethylpyridin-4-yl)-1-methyl-4...)Show SMILES CCc1cc(cc(CC)n1)[C@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |r,t:12| Show InChI InChI=1S/C23H24N6O/c1-4-19-10-18(11-20(5-2)27-19)23(21(30)29(3)22(24)28-23)17-8-6-7-15(9-17)16-12-25-14-26-13-16/h6-14H,4-5H2,1-3H3,(H2,24,28)/t23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human BACE2 by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50303719
(2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-4-(3...)Show SMILES COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:11| Show InChI InChI=1S/C23H22N4O2/c1-15-12-19(9-10-20(15)29-3)23(21(28)27(2)22(24)26-23)18-8-4-6-16(13-18)17-7-5-11-25-14-17/h4-14H,1-3H3,(H2,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin D by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50310152
(CHEMBL597277 | rac-2-amino-4-(2,6-diethylpyridin-4...)Show SMILES CCc1cc(cc(CC)n1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:12| Show InChI InChI=1S/C23H24N6O/c1-4-19-10-18(11-20(5-2)27-19)23(21(30)29(3)22(24)28-23)17-8-6-7-15(9-17)16-12-25-14-26-13-16/h6-14H,4-5H2,1-3H3,(H2,24,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human BACE2 by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50310151
(CHEMBL597062 | rac-2-amino-4-(2,6-dimethylpyridin-...)Show SMILES CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cncnc1)c1cc(C)nc(C)c1 |c:3| Show InChI InChI=1S/C21H20N6O/c1-13-7-18(8-14(2)25-13)21(19(28)27(3)20(22)26-21)17-6-4-5-15(9-17)16-10-23-12-24-11-16/h4-12H,1-3H3,(H2,22,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human BACE2 by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50310149
(2-amino-4-(biphenyl-3-yl)-1-methyl-4-(pyridin-4-yl...)Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1ccccc1 |c:3| Show InChI InChI=1S/C21H18N4O/c1-25-19(26)21(24-20(25)22,17-10-12-23-13-11-17)18-9-5-8-16(14-18)15-6-3-2-4-7-15/h2-14H,1H3,(H2,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin D by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50300710
(8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrim...)Show SMILES NC1=NC(C2=NCCCN12)(c1ccccc1)c1ccccc1 |t:1,4| Show InChI InChI=1S/C18H18N4/c19-17-21-18(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16-20-12-7-13-22(16)17/h1-6,8-11H,7,12-13H2,(H2,19,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 3.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human BACE1 by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50300710
(8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrim...)Show SMILES NC1=NC(C2=NCCCN12)(c1ccccc1)c1ccccc1 |t:1,4| Show InChI InChI=1S/C18H18N4/c19-17-21-18(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16-20-12-7-13-22(16)17/h1-6,8-11H,7,12-13H2,(H2,19,21) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human BACE2 by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50310150
((S)-2-amino-4-(2,6-diethylpyridin-4-yl)-4-(3-(2-fl...)Show SMILES CCc1cc(cc(CC)n1)[C@@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F |r,t:12| Show InChI InChI=1S/C24H24FN5O/c1-4-18-13-17(14-19(5-2)28-18)24(22(31)30(3)23(26)29-24)16-9-6-8-15(12-16)20-10-7-11-27-21(20)25/h6-14H,4-5H2,1-3H3,(H2,26,29)/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin D by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50300229
(1-methyl-4,4-diphenyl-4,5-dihydro-1H-imidazol-2-am...)Show InChI InChI=1S/C16H15N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H2,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin D by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50300710
(8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrim...)Show SMILES NC1=NC(C2=NCCCN12)(c1ccccc1)c1ccccc1 |t:1,4| Show InChI InChI=1S/C18H18N4/c19-17-21-18(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16-20-12-7-13-22(16)17/h1-6,8-11H,7,12-13H2,(H2,19,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin D by FRET assay |
Bioorg Med Chem 18: 630-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.007
BindingDB Entry DOI: 10.7270/Q2DV1KT4 |
More data for this
Ligand-Target Pair | |
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