Found 6 hits for monomerid = 50432510 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)) | BDBM50432510
 (CHEMBL2349470)Show SMILES CN1C(N)=N[C@@]2(CC(C)(C)Cc3ccc(cc23)-c2cncnc2)C1=O Show InChI InChI=1S/C19H21N5O/c1-18(2)7-13-5-4-12(14-8-21-11-22-9-14)6-15(13)19(10-18)16(25)24(3)17(20)23-19/h4-6,8-9,11H,7,10H2,1-3H3,(H2,20,23)/t19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 27 | n/a | n/a | n/a | n/a |
Array BioPharma
Curated by ChEMBL
| Assay Description Inhibition of BACE1 in HEK293 cells expressing wild type APP assessed as level of amyloid beta (1 to 40) after 48 hrs by HTRF assay |
J Med Chem 56: 3379-403 (2013)
Article DOI: 10.1021/jm4002154 BindingDB Entry DOI: 10.7270/Q2JD4Z52 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50432510
 (CHEMBL2349470)Show SMILES CN1C(N)=N[C@@]2(CC(C)(C)Cc3ccc(cc23)-c2cncnc2)C1=O Show InChI InChI=1S/C19H21N5O/c1-18(2)7-13-5-4-12(14-8-21-11-22-9-14)6-15(13)19(10-18)16(25)24(3)17(20)23-19/h4-6,8-9,11H,7,10H2,1-3H3,(H2,20,23)/t19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 138 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma
Curated by ChEMBL
| Assay Description Inhibition of human recombinant BACE1 expressed in CHO cells using biotin-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Arg-His-Asp-Ser-Gly... |
J Med Chem 56: 3379-403 (2013)
Article DOI: 10.1021/jm4002154 BindingDB Entry DOI: 10.7270/Q2JD4Z52 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cathepsin D
(Homo sapiens (Human)) | BDBM50432510
 (CHEMBL2349470)Show SMILES CN1C(N)=N[C@@]2(CC(C)(C)Cc3ccc(cc23)-c2cncnc2)C1=O Show InChI InChI=1S/C19H21N5O/c1-18(2)7-13-5-4-12(14-8-21-11-22-9-14)6-15(13)19(10-18)16(25)24(3)17(20)23-19/h4-6,8-9,11H,7,10H2,1-3H3,(H2,20,23)/t19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma
Curated by ChEMBL
| Assay Description Inhibition of human spleen cathepsin D using 5-FAM/QXL as peptide substrate after 1 hr by FRET assay |
J Med Chem 56: 3379-403 (2013)
Article DOI: 10.1021/jm4002154 BindingDB Entry DOI: 10.7270/Q2JD4Z52 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50432510
 (CHEMBL2349470)Show SMILES CN1C(N)=N[C@@]2(CC(C)(C)Cc3ccc(cc23)-c2cncnc2)C1=O Show InChI InChI=1S/C19H21N5O/c1-18(2)7-13-5-4-12(14-8-21-11-22-9-14)6-15(13)19(10-18)16(25)24(3)17(20)23-19/h4-6,8-9,11H,7,10H2,1-3H3,(H2,20,23)/t19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma
Curated by ChEMBL
| Assay Description Inhibition of human recombinant BACE1 expressed in CHO cells using biotin-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Arg-His-Asp-Ser-Gly... |
J Med Chem 56: 3379-403 (2013)
Article DOI: 10.1021/jm4002154 BindingDB Entry DOI: 10.7270/Q2JD4Z52 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cathepsin D
(Homo sapiens (Human)) | BDBM50432510
 (CHEMBL2349470)Show SMILES CN1C(N)=N[C@@]2(CC(C)(C)Cc3ccc(cc23)-c2cncnc2)C1=O Show InChI InChI=1S/C19H21N5O/c1-18(2)7-13-5-4-12(14-8-21-11-22-9-14)6-15(13)19(10-18)16(25)24(3)17(20)23-19/h4-6,8-9,11H,7,10H2,1-3H3,(H2,20,23)/t19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 5.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma
Curated by ChEMBL
| Assay Description Inhibition of human spleen cathepsin D using 5-FAM/QXL as peptide substrate after 1 hr by FRET assay |
J Med Chem 56: 3379-403 (2013)
Article DOI: 10.1021/jm4002154 BindingDB Entry DOI: 10.7270/Q2JD4Z52 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50432510
 (CHEMBL2349470)Show SMILES CN1C(N)=N[C@@]2(CC(C)(C)Cc3ccc(cc23)-c2cncnc2)C1=O Show InChI InChI=1S/C19H21N5O/c1-18(2)7-13-5-4-12(14-8-21-11-22-9-14)6-15(13)19(10-18)16(25)24(3)17(20)23-19/h4-6,8-9,11H,7,10H2,1-3H3,(H2,20,23)/t19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 53 | n/a | n/a | n/a | n/a |
Array BioPharma
Curated by ChEMBL
| Assay Description Inhibition of BACE1 in HEK293 cells expressing wild type APP assessed as level of amyloid beta (1 to 40) after 48 hrs by HTRF assay |
J Med Chem 56: 3379-403 (2013)
Article DOI: 10.1021/jm4002154 BindingDB Entry DOI: 10.7270/Q2JD4Z52 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |