BDBM17785 2-aminoquinazoline, 3::4-(2-amino-6-phenoxy-3,4-dihydroquinazolin-3-yl)-N,4-dicyclohexyl-N-methylbutanamide
SMILES: CN(C1CCCCC1)C(=O)CCC(C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N
InChI Key: InChIKey=JKQCQYBXDQPJNC-UHFFFAOYSA-N
Data: 1 KI
PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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)) | BDBM17785 (2-aminoquinazoline, 3 | 4-(2-amino-6-phenoxy-3,4-d...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 30 | -10.2 | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Johnson & Johnson Pharmaceutical | Assay Description BACE-1 activity was measured at pH 5 using the FS1 FRET substrate. Compounds were preincubated with recombinant BACE-1 for 20 min before adding subst... | J Med Chem 50: 4261-4 (2007) Article DOI: 10.1021/jm0705408 BindingDB Entry DOI: 10.7270/Q24M92T2 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |