Found 3 hits 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
(409/409 = 100%)† (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 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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| 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
(409/409 = 100%)† (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 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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description Inhibition of human BACE1 |
Eur J Med Chem 46: 58-64 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.014 BindingDB Entry DOI: 10.7270/Q2P55PRK |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Beta-secretase 1
(409/409 = 100%)† (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 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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| 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) |