Found 79 hits of kd data for polymerid = 5093 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)) | BDBM50172100
(CHEMBL3809870)Show SMILES CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1CCc1ccc(NC(=O)c2ccc(F)cc2)cn1 Show InChI InChI=1S/C38H40FN5O2/c1-38(2,3)20-21-41-35(45)19-12-28-23-29-22-27(11-18-34(29)44-36(28)40)33-7-5-4-6-25(33)10-15-31-16-17-32(24-42-31)43-37(46)26-8-13-30(39)14-9-26/h4-9,11,13-14,16-18,22-24H,10,12,15,19-21H2,1-3H3,(H2,40,44)(H,41,45)(H,43,46) | PDB
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| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 (unknown origin) by surface plasmon resonance spectroscopic analysis |
J Med Chem 59: 3732-49 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01917
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50172102
(CHEMBL3809662)Show SMILES NC1=NC2(CO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1ccc(cc21)C1=CCCOC1 |t:1,34| Show InChI InChI=1S/C26H21ClN4O4/c27-17-4-6-21(29-12-17)24(32)30-18-5-8-23-20(11-18)26(14-34-25(28)31-26)19-10-15(3-7-22(19)35-23)16-2-1-9-33-13-16/h2-8,10-12H,1,9,13-14H2,(H2,28,31)(H,30,32) | PDB
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| Article
PubMed
| n/a | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 (unknown origin) by surface plasmon resonance spectroscopic analysis |
J Med Chem 59: 3732-49 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01917
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50172104
(CHEMBL3808441)Show SMILES CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1C#CCC1(CC1)NC(=O)c1ccc(F)cc1 Show InChI InChI=1S/C37H39FN4O2/c1-36(2,3)21-22-40-33(43)17-13-28-24-29-23-27(12-16-32(29)41-34(28)39)31-9-5-4-7-25(31)8-6-18-37(19-20-37)42-35(44)26-10-14-30(38)15-11-26/h4-5,7,9-12,14-16,23-24H,13,17-22H2,1-3H3,(H2,39,41)(H,40,43)(H,42,44) | PDB
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| Article
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| n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 (unknown origin) by surface plasmon resonance spectroscopic analysis |
J Med Chem 59: 3732-49 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01917
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50172106
(CHEMBL3809897)Show SMILES CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1C#Cc1ccc(NC(=O)c2ccc(F)cc2)cn1 Show InChI InChI=1S/C38H36FN5O2/c1-38(2,3)20-21-41-35(45)19-12-28-23-29-22-27(11-18-34(29)44-36(28)40)33-7-5-4-6-25(33)10-15-31-16-17-32(24-42-31)43-37(46)26-8-13-30(39)14-9-26/h4-9,11,13-14,16-18,22-24H,12,19-21H2,1-3H3,(H2,40,44)(H,41,45)(H,43,46) | PDB
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| Article
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| n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 (unknown origin) by surface plasmon resonance spectroscopic analysis |
J Med Chem 59: 3732-49 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01917
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50172101
(CHEMBL3808988)Show SMILES C[C@@H](Cc1cc2cc(ccc2nc1N)-c1ncccc1C)C(=O)NCCC(C)(C)C |r| Show InChI InChI=1S/C25H32N4O/c1-16-7-6-11-27-22(16)18-8-9-21-19(14-18)15-20(23(26)29-21)13-17(2)24(30)28-12-10-25(3,4)5/h6-9,11,14-15,17H,10,12-13H2,1-5H3,(H2,26,29)(H,28,30)/t17-/m0/s1 | PDB
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PC cid
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| Article
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| n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 (unknown origin) by surface plasmon resonance spectroscopic analysis |
J Med Chem 59: 3732-49 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01917
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50172105
(CHEMBL3808967)Show SMILES CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1C#CC1CC(C1)NC(=O)c1ccc(F)cc1 |(-8,-9.72,;-8,-8.48,;-9.07,-9.1,;-9.07,-7.87,;-6.67,-7.71,;-6.67,-6.17,;-5.34,-5.4,;-5.34,-3.86,;-6.41,-3.24,;-4.01,-3.08,;-4.01,-1.54,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-3.75,1.39,;4,-1.54,;3.99,-3.08,;5.33,-3.85,;6.66,-3.08,;6.66,-1.54,;5.33,-.77,;5.33,.77,;5.34,2.31,;5.34,3.85,;6.43,4.89,;5.34,5.98,;4.25,4.89,;5.34,7.51,;4.01,8.28,;2.94,7.67,;4.01,9.82,;2.67,10.59,;2.68,12.13,;4.01,12.9,;4.01,14.13,;5.34,12.13,;5.34,10.59,)| Show InChI InChI=1S/C37H39FN4O2/c1-37(2,3)18-19-40-34(43)17-13-28-23-29-22-27(12-16-33(29)42-35(28)39)32-7-5-4-6-25(32)9-8-24-20-31(21-24)41-36(44)26-10-14-30(38)15-11-26/h4-7,10-12,14-16,22-24,31H,13,17-21H2,1-3H3,(H2,39,42)(H,40,43)(H,41,44) | PDB
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| n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 (unknown origin) by surface plasmon resonance spectroscopic analysis |
J Med Chem 59: 3732-49 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01917
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM16047
((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 | PDB
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| MMDB
PDB
Article
PubMed
| n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 by surface plasmon resonance method |
Bioorg Med Chem Lett 18: 1304-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.032
BindingDB Entry DOI: 10.7270/Q2Z60PW9 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50172103
(CHEMBL3808672)Show SMILES Cc1ccccc1-c1ccc2nc(N)c(CCC(=O)NCCC(C)(C)C)cc2c1 Show InChI InChI=1S/C25H31N3O/c1-17-7-5-6-8-21(17)18-9-11-22-20(15-18)16-19(24(26)28-22)10-12-23(29)27-14-13-25(2,3)4/h5-9,11,15-16H,10,12-14H2,1-4H3,(H2,26,28)(H,27,29) | PDB
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| n/a | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 (unknown origin) by surface plasmon resonance spectroscopic analysis |
J Med Chem 59: 3732-49 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01917
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50270768
(CHEMBL4128447)Show SMILES COc1cccc(c1)-c1nc(SCC(=O)Nc2nc(c[nH]2)-c2cc(Cl)c(N)c(Cl)c2)[nH]c(=O)c1C#N Show InChI InChI=1S/C23H17Cl2N7O3S/c1-35-13-4-2-3-11(5-13)20-14(8-26)21(34)32-23(31-20)36-10-18(33)30-22-28-9-17(29-22)12-6-15(24)19(27)16(25)7-12/h2-7,9H,10,27H2,1H3,(H,31,32,34)(H2,28,29,30,33) | PDB
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| n/a | n/a | n/a | 169 | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 (unknown origin) by SPR method |
Eur J Med Chem 137: 462-475 (2017)
Article DOI: 10.1016/j.ejmech.2017.06.020
BindingDB Entry DOI: 10.7270/Q2M90C53 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50270767
(CHEMBL4127062)Show SMILES CCOc1cccc(c1)-c1nc(SC(C(N)=O)c2nc(c[nH]2)-c2ccccc2)[nH]c(=O)c1C#N Show InChI InChI=1S/C24H20N6O3S/c1-2-33-16-10-6-9-15(11-16)19-17(12-25)23(32)30-24(29-19)34-20(21(26)31)22-27-13-18(28-22)14-7-4-3-5-8-14/h3-11,13,20H,2H2,1H3,(H2,26,31)(H,27,28)(H,29,30,32) | PDB
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| PC cid
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| Article
PubMed
| n/a | n/a | n/a | 213 | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 (unknown origin) by SPR method |
Eur J Med Chem 137: 462-475 (2017)
Article DOI: 10.1016/j.ejmech.2017.06.020
BindingDB Entry DOI: 10.7270/Q2M90C53 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50270766
(CHEMBL4127672)Show SMILES COc1cccc(c1)-c1nc(SC(C(N)=O)c2nc(c[nH]2)-c2ccccc2)[nH]c(=O)c1C#N Show InChI InChI=1S/C23H18N6O3S/c1-32-15-9-5-8-14(10-15)18-16(11-24)22(31)29-23(28-18)33-19(20(25)30)21-26-12-17(27-21)13-6-3-2-4-7-13/h2-10,12,19H,1H3,(H2,25,30)(H,26,27)(H,28,29,31) | PDB
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| n/a | n/a | n/a | 554 | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 (unknown origin) by SPR method |
Eur J Med Chem 137: 462-475 (2017)
Article DOI: 10.1016/j.ejmech.2017.06.020
BindingDB Entry DOI: 10.7270/Q2M90C53 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50270763
(CHEMBL4128586)Show SMILES COc1cccc(c1)-c1nc(SCC(=O)Nc2nc(cs2)-c2cc(Cl)c(N)c(Cl)c2)[nH]c(=O)c1C#N Show InChI InChI=1S/C23H16Cl2N6O3S2/c1-34-13-4-2-3-11(5-13)20-14(8-26)21(33)31-23(30-20)36-10-18(32)29-22-28-17(9-35-22)12-6-15(24)19(27)16(25)7-12/h2-7,9H,10,27H2,1H3,(H,28,29,32)(H,30,31,33) | PDB
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| PC cid
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| Article
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| n/a | n/a | n/a | 861 | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 (unknown origin) by SPR method |
Eur J Med Chem 137: 462-475 (2017)
Article DOI: 10.1016/j.ejmech.2017.06.020
BindingDB Entry DOI: 10.7270/Q2M90C53 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50270756
(CHEMBL4128807)Show SMILES NC(=O)C(Sc1nc(-c2cccc(c2)C(F)(F)F)c(C#N)c(=O)[nH]1)c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C23H14F3N5O2S2/c24-23(25,26)14-8-4-7-13(9-14)17-15(10-27)20(33)31-22(30-17)35-18(19(28)32)21-29-16(11-34-21)12-5-2-1-3-6-12/h1-9,11,18H,(H2,28,32)(H,30,31,33) | PDB
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| PC cid
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Similars
| Article
PubMed
| n/a | n/a | n/a | 1.03E+3 | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 (unknown origin) by SPR method |
Eur J Med Chem 137: 462-475 (2017)
Article DOI: 10.1016/j.ejmech.2017.06.020
BindingDB Entry DOI: 10.7270/Q2M90C53 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50270762
(CHEMBL4128727)Show SMILES CCOc1cccc(c1)-c1nc(SC(C(N)=O)c2nc(cs2)-c2ccc(cc2)[N+]([O-])=O)[nH]c(=O)c1C#N Show InChI InChI=1S/C24H18N6O5S2/c1-2-35-16-5-3-4-14(10-16)19-17(11-25)22(32)29-24(28-19)37-20(21(26)31)23-27-18(12-36-23)13-6-8-15(9-7-13)30(33)34/h3-10,12,20H,2H2,1H3,(H2,26,31)(H,28,29,32) | PDB
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| PC cid
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Similars
| Article
PubMed
| n/a | n/a | n/a | 1.23E+3 | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 (unknown origin) by SPR method |
Eur J Med Chem 137: 462-475 (2017)
Article DOI: 10.1016/j.ejmech.2017.06.020
BindingDB Entry DOI: 10.7270/Q2M90C53 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50270759
(CHEMBL4127412)Show SMILES Nc1c(Cl)cc(cc1Cl)-c1csc(NC(=O)CSc2nc(-c3cccc(c3)C(F)(F)F)c(C#N)c(=O)[nH]2)n1 Show InChI InChI=1S/C23H13Cl2F3N6O2S2/c24-14-5-11(6-15(25)18(14)30)16-8-37-21(31-16)32-17(35)9-38-22-33-19(13(7-29)20(36)34-22)10-2-1-3-12(4-10)23(26,27)28/h1-6,8H,9,30H2,(H,31,32,35)(H,33,34,36) | PDB
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| PC cid
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| Article
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| n/a | n/a | n/a | 1.33E+3 | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 (unknown origin) by SPR method |
Eur J Med Chem 137: 462-475 (2017)
Article DOI: 10.1016/j.ejmech.2017.06.020
BindingDB Entry DOI: 10.7270/Q2M90C53 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50270764
(CHEMBL4127986)Show SMILES COc1ccccc1-c1nc(SC(C(N)=O)c2nc(cs2)-c2cccc(c2)[N+]([O-])=O)[nH]c(=O)c1C#N Show InChI InChI=1S/C23H16N6O5S2/c1-34-17-8-3-2-7-14(17)18-15(10-24)21(31)28-23(27-18)36-19(20(25)30)22-26-16(11-35-22)12-5-4-6-13(9-12)29(32)33/h2-9,11,19H,1H3,(H2,25,30)(H,27,28,31) | PDB
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| n/a | n/a | n/a | 1.43E+3 | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 (unknown origin) by SPR method |
Eur J Med Chem 137: 462-475 (2017)
Article DOI: 10.1016/j.ejmech.2017.06.020
BindingDB Entry DOI: 10.7270/Q2M90C53 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50270761
(CHEMBL4129873)Show SMILES COc1cccc(c1)-c1nc(SC(C(N)=O)c2nc(cs2)-c2cccc(c2)-c2cccnc2F)[nH]c(=O)c1C#N Show InChI InChI=1S/C28H19FN6O3S2/c1-38-18-8-3-7-17(12-18)22-20(13-30)26(37)35-28(34-22)40-23(25(31)36)27-33-21(14-39-27)16-6-2-5-15(11-16)19-9-4-10-32-24(19)29/h2-12,14,23H,1H3,(H2,31,36)(H,34,35,37) | PDB
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| n/a | n/a | n/a | 1.44E+3 | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 (unknown origin) by SPR method |
Eur J Med Chem 137: 462-475 (2017)
Article DOI: 10.1016/j.ejmech.2017.06.020
BindingDB Entry DOI: 10.7270/Q2M90C53 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50270757
(CHEMBL4126598)Show SMILES COc1cccc(c1)-c1nc(SCC(=O)Nc2nc(cs2)-c2cccc(Br)c2)[nH]c(=O)c1C#N Show InChI InChI=1S/C23H16BrN5O3S2/c1-32-16-7-3-5-14(9-16)20-17(10-25)21(31)29-23(28-20)34-12-19(30)27-22-26-18(11-33-22)13-4-2-6-15(24)8-13/h2-9,11H,12H2,1H3,(H,26,27,30)(H,28,29,31) | PDB
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| n/a | n/a | n/a | 1.74E+3 | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 (unknown origin) by SPR method |
Eur J Med Chem 137: 462-475 (2017)
Article DOI: 10.1016/j.ejmech.2017.06.020
BindingDB Entry DOI: 10.7270/Q2M90C53 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50270765
(CHEMBL4127289)Show SMILES COc1cccc(c1)-c1nc(SC(C(N)=O)c2nc(cs2)-c2cccc(c2)[N+]([O-])=O)[nH]c(=O)c1C#N Show InChI InChI=1S/C23H16N6O5S2/c1-34-15-7-3-5-13(9-15)18-16(10-24)21(31)28-23(27-18)36-19(20(25)30)22-26-17(11-35-22)12-4-2-6-14(8-12)29(32)33/h2-9,11,19H,1H3,(H2,25,30)(H,27,28,31) | PDB
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| n/a | n/a | n/a | 1.75E+3 | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 (unknown origin) by SPR method |
Eur J Med Chem 137: 462-475 (2017)
Article DOI: 10.1016/j.ejmech.2017.06.020
BindingDB Entry DOI: 10.7270/Q2M90C53 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50270770
(CHEMBL4126751)Show SMILES COc1cccc(c1)-c1nc(SC(C(N)=O)c2nc(cs2)-c2ccc(cc2)[N+]([O-])=O)[nH]c(=O)c1C#N Show InChI InChI=1S/C23H16N6O5S2/c1-34-15-4-2-3-13(9-15)18-16(10-24)21(31)28-23(27-18)36-19(20(25)30)22-26-17(11-35-22)12-5-7-14(8-6-12)29(32)33/h2-9,11,19H,1H3,(H2,25,30)(H,27,28,31) | PDB
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| n/a | n/a | n/a | 1.84E+3 | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 (unknown origin) by SPR method |
Eur J Med Chem 137: 462-475 (2017)
Article DOI: 10.1016/j.ejmech.2017.06.020
BindingDB Entry DOI: 10.7270/Q2M90C53 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50270760
(CHEMBL4127550)Show SMILES NC(=O)C(Sc1nc(-c2cccc(OC(F)(F)F)c2)c(C#N)c(=O)[nH]1)c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C23H14F3N5O3S2/c24-23(25,26)34-14-8-4-7-13(9-14)17-15(10-27)20(33)31-22(30-17)36-18(19(28)32)21-29-16(11-35-21)12-5-2-1-3-6-12/h1-9,11,18H,(H2,28,32)(H,30,31,33) | PDB
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| n/a | n/a | n/a | 1.88E+3 | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 (unknown origin) by SPR method |
Eur J Med Chem 137: 462-475 (2017)
Article DOI: 10.1016/j.ejmech.2017.06.020
BindingDB Entry DOI: 10.7270/Q2M90C53 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50270769
(CHEMBL4128947)Show SMILES COc1cccc(c1)-c1nc(SC(C(N)=O)c2nc(cs2)-c2ccccc2)[nH]c(=O)c1C#N Show InChI InChI=1S/C23H17N5O3S2/c1-31-15-9-5-8-14(10-15)18-16(11-24)21(30)28-23(27-18)33-19(20(25)29)22-26-17(12-32-22)13-6-3-2-4-7-13/h2-10,12,19H,1H3,(H2,25,29)(H,27,28,30) | PDB
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| n/a | n/a | n/a | 2.14E+3 | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 (unknown origin) by SPR method |
Eur J Med Chem 137: 462-475 (2017)
Article DOI: 10.1016/j.ejmech.2017.06.020
BindingDB Entry DOI: 10.7270/Q2M90C53 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50351919
(CHEMBL1821810)Show SMILES CN(C1CCCCC1)C(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1C Show InChI InChI=1S/C26H31N3O/c1-18-8-6-7-11-23(18)19-12-14-24-21(16-19)17-20(26(27)28-24)13-15-25(30)29(2)22-9-4-3-5-10-22/h6-8,11-12,14,16-17,22H,3-5,9-10,13,15H2,1-2H3,(H2,27,28) | PDB
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| n/a | n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 after 90 seconds by surface plasmon resonance assay |
J Med Chem 54: 5836-57 (2011)
Article DOI: 10.1021/jm200544q
BindingDB Entry DOI: 10.7270/Q23J3DBN |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50351917
(CHEMBL1821808)Show InChI InChI=1S/C21H20N2/c1-21(2,3)13-12-15-6-4-5-7-18(15)16-8-10-19-17(14-16)9-11-20(22)23-19/h4-11,14H,1-3H3,(H2,22,23) | PDB
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| PDB
Article
PubMed
| n/a | n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 after 90 seconds by surface plasmon resonance assay |
J Med Chem 54: 5836-57 (2011)
Article DOI: 10.1021/jm200544q
BindingDB Entry DOI: 10.7270/Q23J3DBN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50351942
(CHEMBL1821805)Show InChI InChI=1S/C15H11ClN2/c16-13-3-1-2-10(9-13)11-4-6-14-12(8-11)5-7-15(17)18-14/h1-9H,(H2,17,18) | PDB
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| n/a | n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 after 90 seconds by surface plasmon resonance assay |
J Med Chem 54: 5836-57 (2011)
Article DOI: 10.1021/jm200544q
BindingDB Entry DOI: 10.7270/Q23J3DBN |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50351914
(CHEMBL1821803)Show InChI InChI=1S/C16H14N2/c1-11-4-2-3-5-14(11)12-6-8-15-13(10-12)7-9-16(17)18-15/h2-10H,1H3,(H2,17,18) | PDB
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| n/a | n/a | n/a | 1.06E+4 | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 after 90 seconds by surface plasmon resonance assay |
J Med Chem 54: 5836-57 (2011)
Article DOI: 10.1021/jm200544q
BindingDB Entry DOI: 10.7270/Q23J3DBN |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50351941
(CHEMBL1821804)Show InChI InChI=1S/C15H11ClN2/c16-13-4-2-1-3-12(13)10-5-7-14-11(9-10)6-8-15(17)18-14/h1-9H,(H2,17,18) | PDB
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| n/a | n/a | n/a | 1.08E+4 | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 after 90 seconds by surface plasmon resonance assay |
J Med Chem 54: 5836-57 (2011)
Article DOI: 10.1021/jm200544q
BindingDB Entry DOI: 10.7270/Q23J3DBN |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50351922
(CHEMBL1821813)Show InChI InChI=1S/C19H25N3O/c20-19-16(12-15-8-4-5-9-17(15)22-19)10-11-18(23)21-13-14-6-2-1-3-7-14/h4-5,8-9,12,14H,1-3,6-7,10-11,13H2,(H2,20,22)(H,21,23) | PDB
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Article
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| n/a | n/a | n/a | 1.42E+4 | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 after 90 seconds by surface plasmon resonance assay |
J Med Chem 54: 5836-57 (2011)
Article DOI: 10.1021/jm200544q
BindingDB Entry DOI: 10.7270/Q23J3DBN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM114543
((4-butoxy-3-chloranyl-phenyl)methyl carbamimidothi...)Show InChI InChI=1S/C12H17ClN2OS/c1-2-3-6-16-11-5-4-9(7-10(11)13)8-17-12(14)15/h4-5,7H,2-3,6,8H2,1H3,(H3,14,15) | PDB
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| n/a | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fragment-based NMR screening method |
J Med Chem 53: 951-65 (2010)
Article DOI: 10.1021/jm901408p
BindingDB Entry DOI: 10.7270/Q26W9B4S |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM114543
((4-butoxy-3-chloranyl-phenyl)methyl carbamimidothi...)Show InChI InChI=1S/C12H17ClN2OS/c1-2-3-6-16-11-5-4-9(7-10(11)13)8-17-12(14)15/h4-5,7H,2-3,6,8H2,1H3,(H3,14,15) | PDB
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| PDB
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| n/a | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 by fragment-based NMR screening assay |
J Med Chem 53: 942-50 (2010)
Article DOI: 10.1021/jm901472u
BindingDB Entry DOI: 10.7270/Q2348KDC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50351914
(CHEMBL1821803)Show InChI InChI=1S/C16H14N2/c1-11-4-2-3-5-14(11)12-6-8-15-13(10-12)7-9-16(17)18-15/h2-10H,1H3,(H2,17,18) | PDB
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| n/a | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 (unknown origin) by surface plasmon resonance spectroscopic analysis |
J Med Chem 59: 3732-49 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01917
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50351913
(CHEMBL1821802)Show InChI InChI=1S/C15H12N2/c16-15-9-7-13-10-12(6-8-14(13)17-15)11-4-2-1-3-5-11/h1-10H,(H2,16,17) | PDB
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| n/a | n/a | n/a | 2.26E+4 | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 after 90 seconds by surface plasmon resonance assay |
J Med Chem 54: 5836-57 (2011)
Article DOI: 10.1021/jm200544q
BindingDB Entry DOI: 10.7270/Q23J3DBN |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM16042
(5-{[(5-aminopentyl)carbamoyl]methoxy}-3-N-[(1R)-1-...)Show SMILES C[C@@H](NC(=O)c1cc(OCC(=O)NCCCCCN)cc(c1)C(=O)N(CC=C)CC=C)c1ccccc1 |r| Show InChI InChI=1S/C29H38N4O4/c1-4-16-33(17-5-2)29(36)25-18-24(28(35)32-22(3)23-12-8-6-9-13-23)19-26(20-25)37-21-27(34)31-15-11-7-10-14-30/h4-6,8-9,12-13,18-20,22H,1-2,7,10-11,14-17,21,30H2,3H3,(H,31,34)(H,32,35)/t22-/m1/s1 | PDB
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| n/a | n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
J Med Chem 55: 9224-39 (2012)
Article DOI: 10.1021/jm3009426
BindingDB Entry DOI: 10.7270/Q22F7PK8 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50351914
(CHEMBL1821803)Show InChI InChI=1S/C16H14N2/c1-11-4-2-3-5-14(11)12-6-8-15-13(10-12)7-9-16(17)18-15/h2-10H,1H3,(H2,17,18) | PDB
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| n/a | n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 by surface plasmon resonance method |
J Med Chem 55: 678-87 (2012)
Article DOI: 10.1021/jm201441k
BindingDB Entry DOI: 10.7270/Q2Q81F2J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50493641
(CHEMBL2437454)Show SMILES OC(=O)C(F)(F)F.[H][C@]1(C[C@H]1c1ccccc1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:26| Show InChI InChI=1S/C15H19N3O.C2HF3O2/c1-15(9-13(19)18(2)14(16)17-15)12-8-11(12)10-6-4-3-5-7-10;3-2(4,5)1(6)7/h3-7,11-12H,8-9H2,1-2H3,(H2,16,17);(H,6,7)/t11-,12+,15-;/m0./s1 | PDB
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| n/a | n/a | n/a | 2.68E+4 | n/a | n/a | n/a | n/a | n/a |
Hokkaido University
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant BACE1 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry assay |
Bioorg Med Chem 21: 6506-22 (2013)
Article DOI: 10.1016/j.bmc.2013.08.036
BindingDB Entry DOI: 10.7270/Q25H7K6Q |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50300240
(3-(3-chlorophenethyl)pyridin-2-amine | 3-[2-(3-chl...)Show InChI InChI=1S/C13H13ClN2/c14-12-5-1-3-10(9-12)6-7-11-4-2-8-16-13(11)15/h1-5,8-9H,6-7H2,(H2,15,16) | PDB
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| n/a | n/a | n/a | 3.20E+4 | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 by fragment-based NMR screening assay |
J Med Chem 53: 942-50 (2010)
Article DOI: 10.1021/jm901472u
BindingDB Entry DOI: 10.7270/Q2348KDC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50351913
(CHEMBL1821802)Show InChI InChI=1S/C15H12N2/c16-15-9-7-13-10-12(6-8-14(13)17-15)11-4-2-1-3-5-11/h1-10H,(H2,16,17) | PDB
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| n/a | n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 by surface plasmon resonance method |
J Med Chem 55: 678-87 (2012)
Article DOI: 10.1021/jm201441k
BindingDB Entry DOI: 10.7270/Q2Q81F2J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50493642
(CHEMBL2437452)Show SMILES OC(=O)C(F)(F)F.CN1C(=O)C[C@@](C)(CCc2ccccc2)N=C1N |r,c:22| Show InChI InChI=1S/C14H19N3O.C2HF3O2/c1-14(9-8-11-6-4-3-5-7-11)10-12(18)17(2)13(15)16-14;3-2(4,5)1(6)7/h3-7H,8-10H2,1-2H3,(H2,15,16);(H,6,7)/t14-;/m1./s1 | PDB
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| n/a | n/a | n/a | 3.66E+4 | n/a | n/a | n/a | n/a | n/a |
Hokkaido University
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant BACE1 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry assay |
Bioorg Med Chem 21: 6506-22 (2013)
Article DOI: 10.1016/j.bmc.2013.08.036
BindingDB Entry DOI: 10.7270/Q25H7K6Q |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50351918
(CHEMBL1821809)Show InChI InChI=1S/C19H25N3O/c1-22(16-8-3-2-4-9-16)18(23)12-11-15-13-14-7-5-6-10-17(14)21-19(15)20/h5-7,10,13,16H,2-4,8-9,11-12H2,1H3,(H2,20,21) | PDB
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| PDB
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| n/a | n/a | n/a | 3.84E+4 | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 after 90 seconds by surface plasmon resonance assay |
J Med Chem 54: 5836-57 (2011)
Article DOI: 10.1021/jm200544q
BindingDB Entry DOI: 10.7270/Q23J3DBN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50351912
(CHEMBL1821801)Show InChI InChI=1S/C13H10N2S/c14-13-4-2-10-7-9(1-3-12(10)15-13)11-5-6-16-8-11/h1-8H,(H2,14,15) | PDB
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| PDB
Article
PubMed
| n/a | n/a | n/a | 3.88E+4 | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 after 90 seconds by surface plasmon resonance assay |
J Med Chem 54: 5836-57 (2011)
Article DOI: 10.1021/jm200544q
BindingDB Entry DOI: 10.7270/Q23J3DBN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50379198
(CHEMBL2011277)Show InChI InChI=1S/C15H11FN2/c16-13-4-2-1-3-12(13)10-5-7-14-11(9-10)6-8-15(17)18-14/h1-9H,(H2,17,18) | PDB
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UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.90E+4 | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 by surface plasmon resonance method |
J Med Chem 55: 678-87 (2012)
Article DOI: 10.1021/jm201441k
BindingDB Entry DOI: 10.7270/Q2Q81F2J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50372981
(CHEMBL428070)Show InChI InChI=1S/C15H17NO/c1-11-2-5-13(6-3-11)14-10-12(8-9-16)4-7-15(14)17/h2-7,10,17H,8-9,16H2,1H3 | PDB
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| n/a | n/a | n/a | 6.00E+4 | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 by surface plasmon resonance method |
Bioorg Med Chem Lett 18: 1304-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.032
BindingDB Entry DOI: 10.7270/Q2Z60PW9 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM64871
(N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide ...)Show InChI InChI=1S/C12H8ClFN2O/c13-11-6-5-10(7-15-11)16-12(17)8-1-3-9(14)4-2-8/h1-7H,(H,16,17) | PDB
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| n/a | n/a | n/a | 1.14E+5 | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 (unknown origin) by surface plasmon resonance spectroscopic analysis |
J Med Chem 59: 3732-49 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01917
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50300226
(3-(3-Chlorobenzyl)-5-isobutyl-5-methyl-2-iminohyda...)Show SMILES CC(C)CC1(C)N=C(N)N(Cc2cccc(Cl)c2)C1=O |t:6| Show InChI InChI=1S/C15H20ClN3O/c1-10(2)8-15(3)13(20)19(14(17)18-15)9-11-5-4-6-12(16)7-11/h4-7,10H,8-9H2,1-3H3,(H2,17,18) | PDB
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| n/a | n/a | n/a | 1.23E+5 | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fragment-based NMR screening method |
J Med Chem 53: 951-65 (2010)
Article DOI: 10.1021/jm901408p
BindingDB Entry DOI: 10.7270/Q26W9B4S |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50300227
((2Z)-3-(3-chlorobenzyl)-2-imino-5,5-dimethylimidaz...)Show InChI InChI=1S/C12H14ClN3O/c1-12(2)10(17)16(11(14)15-12)7-8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H2,14,15) | PDB
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| n/a | n/a | n/a | 2.00E+5 | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fragment-based NMR screening method |
J Med Chem 53: 951-65 (2010)
Article DOI: 10.1021/jm901408p
BindingDB Entry DOI: 10.7270/Q26W9B4S |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50379206
(CHEMBL2011278)Show InChI InChI=1S/C16H11F3N2/c17-16(18,19)13-4-2-1-3-12(13)10-5-7-14-11(9-10)6-8-15(20)21-14/h1-9H,(H2,20,21) | PDB
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| n/a | n/a | n/a | 2.00E+5 | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 by surface plasmon resonance method |
J Med Chem 55: 678-87 (2012)
Article DOI: 10.1021/jm201441k
BindingDB Entry DOI: 10.7270/Q2Q81F2J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50379206
(CHEMBL2011278)Show InChI InChI=1S/C16H11F3N2/c17-16(18,19)13-4-2-1-3-12(13)10-5-7-14-11(9-10)6-8-15(20)21-14/h1-9H,(H2,20,21) | PDB
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| n/a | n/a | n/a | 2.00E+5 | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 by NMR-based differential chemical shift perturbation method |
J Med Chem 55: 678-87 (2012)
Article DOI: 10.1021/jm201441k
BindingDB Entry DOI: 10.7270/Q2Q81F2J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50351911
(CHEMBL1821800)Show InChI InChI=1S/C9H7BrN2/c10-7-2-1-3-8-6(7)4-5-9(11)12-8/h1-5H,(H2,11,12) | PDB
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| Article
PubMed
| n/a | n/a | n/a | 2.09E+5 | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 after 90 seconds by surface plasmon resonance assay |
J Med Chem 54: 5836-57 (2011)
Article DOI: 10.1021/jm200544q
BindingDB Entry DOI: 10.7270/Q23J3DBN |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50372980
(CHEMBL404150)Show InChI InChI=1S/C14H21NO/c15-9-8-11-6-7-14(16)13(10-11)12-4-2-1-3-5-12/h6-7,10,12,16H,1-5,8-9,15H2 | PDB
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| MMDB
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| n/a | n/a | n/a | 2.20E+5 | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 by surface plasmon resonance method |
Bioorg Med Chem Lett 18: 1304-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.032
BindingDB Entry DOI: 10.7270/Q2Z60PW9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50154591
(6-Bromo-quinolin-2-ylamine | CHEMBL189197)Show InChI InChI=1S/C9H7BrN2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,(H2,11,12) | PDB
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| n/a | n/a | n/a | 2.66E+5 | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 after 90 seconds by surface plasmon resonance assay |
J Med Chem 54: 5836-57 (2011)
Article DOI: 10.1021/jm200544q
BindingDB Entry DOI: 10.7270/Q23J3DBN |
More data for this
Ligand-Target Pair | |
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