Found 3 hits for monomerid = 50015547 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)) | BDBM50015547
 (CHEMBL3265335)Show SMILES NC1=N[C@]2(CO1)[C@H]1CCOC[C@@H]1Oc1ccc(cc21)-c1cncc(Cl)c1 Show InChI InChI=1S/C19H18ClN3O3/c20-13-5-12(7-22-8-13)11-1-2-16-15(6-11)19(10-25-18(21)23-19)14-3-4-24-9-17(14)26-16/h1-2,5-8,14,17H,3-4,9-10H2,(H2,21,23)/t14-,17-,19+/m0/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 | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc
Curated by ChEMBL
| Assay Description Inhibition of BACE1 (unknown origin) assessed as amyloid beta production wild type APP expressing by cell based assay |
Bioorg Med Chem Lett 24: 2477-80 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.012 BindingDB Entry DOI: 10.7270/Q22J6DDC |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50015547
 (CHEMBL3265335)Show SMILES NC1=N[C@]2(CO1)[C@H]1CCOC[C@@H]1Oc1ccc(cc21)-c1cncc(Cl)c1 Show InChI InChI=1S/C19H18ClN3O3/c20-13-5-12(7-22-8-13)11-1-2-16-15(6-11)19(10-25-18(21)23-19)14-3-4-24-9-17(14)26-16/h1-2,5-8,14,17H,3-4,9-10H2,(H2,21,23)/t14-,17-,19+/m0/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 | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc
Curated by ChEMBL
| Assay Description Inhibition of BACE1 (unknown origin) |
Bioorg Med Chem Lett 24: 2477-80 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.012 BindingDB Entry DOI: 10.7270/Q22J6DDC |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cytochrome P450 2D6 (2D6)
(Homo sapiens (Human)) | BDBM50015547
 (CHEMBL3265335)Show SMILES NC1=N[C@]2(CO1)[C@H]1CCOC[C@@H]1Oc1ccc(cc21)-c1cncc(Cl)c1 Show InChI InChI=1S/C19H18ClN3O3/c20-13-5-12(7-22-8-13)11-1-2-16-15(6-11)19(10-25-18(21)23-19)14-3-4-24-9-17(14)26-16/h1-2,5-8,14,17H,3-4,9-10H2,(H2,21,23)/t14-,17-,19+/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 24: 2477-80 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.012 BindingDB Entry DOI: 10.7270/Q22J6DDC |
More data for this Ligand-Target Pair | |