BDBM50226445 2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one::CHEMBL236777
SMILES: Nc1nc(CCc2ccc3cc[nH]c3c2)cc(=O)[nH]1
InChI Key: InChIKey=VRAZIAJSKFRSIP-UHFFFAOYSA-N
Data: 2 IC50
PDB links: 1 PDB ID matches this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50226445 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)) | BDBM50226445
 (2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-...)Show InChI InChI=1S/C14H14N4O/c15-14-17-11(8-13(19)18-14)4-2-9-1-3-10-5-6-16-12(10)7-9/h1,3,5-8,16H,2,4H2,(H3,15,17,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 8.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP
Curated by ChEMBL
| Assay Description Inhibition of BACE1 by SPR assay |
J Med Chem 50: 5912-25 (2007)
Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50226445
 (2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-...)Show InChI InChI=1S/C14H14N4O/c15-14-17-11(8-13(19)18-14)4-2-9-1-3-10-5-6-16-12(10)7-9/h1,3,5-8,16H,2,4H2,(H3,15,17,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 1.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP
Curated by ChEMBL
| Assay Description Inhibition of BACE1 by FRET assay |
J Med Chem 50: 5912-25 (2007)
Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D |
More data for this Ligand-Target Pair |  3D Structure (crystal) |