Affinity Data by PDB ID

PDB code 2B8V

Found 1 hit Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Beta-secretase 1 (402/404 > 99%)^† (Homo sapiens (Human))	BDBM16024 (3-benzoyl-N-[(2S,3R)-4-(cyclopropylamino)-3-hydrox...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	4.5	22
Merck Research Laboratories					Assay Description The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for ...				Bioorg Med Chem Lett 16: 641-4 (2006) Article DOI: 10.1016/j.bmcl.2005.10.032 BindingDB Entry DOI: 10.7270/Q28S4N5N
Merck Research Laboratories					More data for this Ligand-Target Pair				3D Structure (crystal)

_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output