Found 9 hits for monomerid = 50303719 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)) | 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
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 120 | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of BACE1 expressed in CHOK1 cells coexpressing human recombinant wild type APP assessed as blockade of amyloid beta production by ELISA |
J Med Chem 53: 1146-58 (2010)
Article DOI: 10.1021/jm901414e BindingDB Entry DOI: 10.7270/Q2SX6DBS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 MMDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
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 based peptide cleavage assay |
J Med Chem 53: 1146-58 (2010)
Article DOI: 10.1021/jm901414e BindingDB Entry DOI: 10.7270/Q2SX6DBS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 MMDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
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) |
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 MMDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 40 | 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 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 | |
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 UniProtKB/TrEMBL
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 based peptide cleavage assay |
J Med Chem 53: 1146-58 (2010)
Article DOI: 10.1021/jm901414e BindingDB Entry DOI: 10.7270/Q2SX6DBS |
More data for this Ligand-Target Pair | |
Renin
(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
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 | 9.34E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant renin by FRET based peptide cleavage assay |
J Med Chem 53: 1146-58 (2010)
Article DOI: 10.1021/jm901414e BindingDB Entry DOI: 10.7270/Q2SX6DBS |
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 UniProtKB/TrEMBL
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)) | 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 | 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 based peptide cleavage assay |
J Med Chem 53: 1146-58 (2010)
Article DOI: 10.1021/jm901414e BindingDB Entry DOI: 10.7270/Q2SX6DBS |
More data for this Ligand-Target Pair | |