Found 79 hits of kd for UniProtKB: P56817 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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 MMDB
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| PDB Article PubMed
| 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)) | 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 MMDB
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B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 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)) | 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 MMDB
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B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 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)) | BDBM50300238
(2-ethylhex-2-enyl carbamimidothioate | CHEMBL57523...)Show InChI InChI=1S/C9H18N2S/c1-3-5-6-8(4-2)7-12-9(10)11/h6H,3-5,7H2,1-2H3,(H3,10,11)/b8-6+ | PDB MMDB
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B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 5.50E+5 | 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 | |
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 MMDB
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| PDB Article PubMed
| 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)) | 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 MMDB
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| CHEMBL MMDB PC cid PC sid PDB UniChem
| MMDB PDB Article PubMed
| 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)) | 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 MMDB
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 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)) | 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 MMDB
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 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)) | 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 MMDB
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 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)) | 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 MMDB
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 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)) | 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 MMDB
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Similars
| 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)) | 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 MMDB
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| CHEMBL MMDB PC cid PC sid PDB UniChem
| 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)) | BDBM50351909
(CHEMBL1821798)Show InChI InChI=1S/C9H7BrN2/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5H,(H2,11,12) | PDB MMDB
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Patents
| Article PubMed
| n/a | n/a | n/a | 5.40E+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)) | BDBM50351910
(CHEMBL1821799)Show InChI InChI=1S/C9H7BrN2/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5H,(H2,11,12) | PDB MMDB
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Similars
| Article PubMed
| 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 | |
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 MMDB
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CHEMBL MCE PC cid PC sid UniChem
Patents
| Article PubMed
| 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 | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM14322
(2-Aminoquinoline 1 | 2-aminoquinoline | CHEMBL6123...)Show InChI InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11) | PDB MMDB
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | 9.00E+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 | 3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50351916
(CHEMBL1821807)Show InChI InChI=1S/C15H18N2/c16-15-9-7-13-10-12(6-8-14(13)17-15)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,16,17) | PDB MMDB
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B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 2.96E+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)) | 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 MMDB
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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)) | BDBM50351915
(CHEMBL1821806)Show InChI InChI=1S/C15H11ClN2/c16-13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(17)18-14/h1-9H,(H2,17,18) | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 2.00E+6 | 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 MMDB
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Similars
| PDB Article PubMed
| 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)) | 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 MMDB
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Similars
| PDB Article PubMed
| 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)) | 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 MMDB
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 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)) | BDBM50226437
(2-AMINO-6-(2-PHENYLETHYL)PYRIMIDIN-4(3H)-ONE | 2-a...)Show InChI InChI=1S/C12H13N3O/c13-12-14-10(8-11(16)15-12)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,13,14,15,16) | PDB MMDB
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CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 6.60E+5 | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D
Curated by ChEMBL
| Assay Description Binding affinity to BACE1 expressed in HEK293 cells by Biocore ISA |
J Med Chem 50: 5903-11 (2007)
Article DOI: 10.1021/jm070825k BindingDB Entry DOI: 10.7270/Q2W95B0T |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50226439
(2-amino-6-propylpyrimidin-4(3H)-one | CHEMBL235825)Show InChI InChI=1S/C7H11N3O/c1-2-3-5-4-6(11)10-7(8)9-5/h4H,2-3H2,1H3,(H3,8,9,10,11) | PDB MMDB
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CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
| MMDB PDB Article PubMed
| n/a | n/a | n/a | 4.45E+6 | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D
Curated by ChEMBL
| Assay Description Binding affinity to BACE1 expressed in HEK293 cells by Biocore ISA |
J Med Chem 50: 5903-11 (2007)
Article DOI: 10.1021/jm070825k BindingDB Entry DOI: 10.7270/Q2W95B0T |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50359501
(CHEMBL1927024 | HYDROXYAMPHETAMINE)Show InChI InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3/t7-/m0/s1 | PDB MMDB
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Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 8.00E+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 | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50372983
(CHEMBL255750)Show InChI InChI=1S/C10H15NO/c1-2-9-7-8(5-6-11)3-4-10(9)12/h3-4,7,12H,2,5-6,11H2,1H3 | PDB MMDB
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B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
| MMDB PDB Article PubMed
| n/a | n/a | n/a | 6.60E+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)) | BDBM29135
(CHEMBL11608 | cid_5610 | p-Tyramine | tyramine)Show InChI InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2 | PDB MMDB
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | 2.00E+6 | 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)) | 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 MMDB
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| 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)) | 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 MMDB
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B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 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)) | BDBM50372982
(CHEMBL272576)Show InChI InChI=1S/C14H15NO/c15-9-8-11-6-7-14(16)13(10-11)12-4-2-1-3-5-12/h1-7,10,16H,8-9,15H2 | PDB MMDB
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B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 3.50E+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 | |
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 MMDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
| MMDB PDB Article PubMed
| 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)) | BDBM50379199
(CHEMBL2011271)Show InChI InChI=1S/C8H8ClFN2S/c9-6-2-1-3-7(10)5(6)4-13-8(11)12/h1-3H,4H2,(H3,11,12) | PDB MMDB
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 3.00E+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)) | BDBM50379200
(CHEMBL2011272)Show InChI InChI=1S/C11H14ClFN2/c12-10-2-1-3-11(13)9(10)8-15-6-4-14-5-7-15/h1-3,14H,4-8H2 | PDB MMDB
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CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | >1.00E+6 | 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)) | BDBM50154584
(6-Fluoro-quinolin-2-ylamine | CHEMBL185917)Show InChI InChI=1S/C9H7FN2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,(H2,11,12) | PDB MMDB
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B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.28E+6 | 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)) | BDBM50379201
(CHEMBL2011273)Show InChI InChI=1S/C13H12FNS/c14-10-3-1-2-9(8-10)13-11-5-7-16-12(11)4-6-15-13/h1-3,5,7-8,13,15H,4,6H2 | PDB MMDB
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | >1.00E+6 | 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)) | 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 MMDB
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B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 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)) | 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 MMDB
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B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid 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)) | BDBM50379203
(CHEMBL2011279)Show InChI InChI=1S/C8H12F3NO/c9-8(10,11)7(13)12-6-4-2-1-3-5-6/h6H,1-5H2,(H,12,13) | PDB MMDB
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B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | >1.00E+6 | 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)) | BDBM14322
(2-Aminoquinoline 1 | 2-aminoquinoline | CHEMBL6123...)Show InChI InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11) | PDB MMDB
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | 9.00E+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 | 3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50154583
(6-Methyl-quinolin-2-ylamine | CHEMBL361660)Show InChI InChI=1S/C10H10N2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3,(H2,11,12) | PDB MMDB
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 1.60E+6 | 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)) | BDBM50379199
(CHEMBL2011271)Show InChI InChI=1S/C8H8ClFN2S/c9-6-2-1-3-7(10)5(6)4-13-8(11)12/h1-3H,4H2,(H3,11,12) | PDB MMDB
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B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 3.50E+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)) | 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 MMDB
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B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 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)) | BDBM50379202
(CHEMBL1981917)Show InChI InChI=1S/C13H9FN2S/c14-8-4-3-7-11-12(8)13(15)16-9-5-1-2-6-10(9)17-11/h1-7H,(H2,15,16) | PDB MMDB
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B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 4.00E+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)) | BDBM50154584
(6-Fluoro-quinolin-2-ylamine | CHEMBL185917)Show InChI InChI=1S/C9H7FN2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,(H2,11,12) | PDB MMDB
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.00E+6 | 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)) | BDBM50379207
(CHEMBL2011274)Show InChI InChI=1S/C10H7F3N2/c11-10(12,13)7-2-3-8-6(5-7)1-4-9(14)15-8/h1-5H,(H2,14,15) | PDB MMDB
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B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 3.90E+6 | 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)) | BDBM50379201
(CHEMBL2011273)Show InChI InChI=1S/C13H12FNS/c14-10-3-1-2-9(8-10)13-11-5-7-16-12(11)4-6-15-13/h1-3,5,7-8,13,15H,4,6H2 | PDB MMDB
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B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | >2.00E+6 | 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)) | BDBM50379205
(CHEMBL2011276)Show InChI InChI=1S/C10H7F3N2/c11-10(12,13)7-5-9(14)15-8-4-2-1-3-6(7)8/h1-5H,(H2,14,15) | PDB MMDB
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CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 2.90E+6 | 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)) | BDBM50379202
(CHEMBL1981917)Show InChI InChI=1S/C13H9FN2S/c14-8-4-3-7-11-12(8)13(15)16-9-5-1-2-6-10(9)17-11/h1-7H,(H2,15,16) | PDB MMDB
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B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 3.25E+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)) | BDBM50379204
(4-Methylquinolin-2-amine | CHEMBL2011275)Show InChI InChI=1S/C10H10N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3,(H2,11,12) | PDB MMDB
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CHEMBL MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 1.30E+6 | 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)) | 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 MMDB
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B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 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 | |