Affinity Data by PDB ID

PDB code 4I0I

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 (397/397 = 100%)^† (Homo sapiens (Human))	BDBM50328056 (CHEMBL1230648 \| N-((2S,3R)-1-(3,5-difluorophenyl)-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 20: 6034-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.070 BindingDB Entry DOI: 10.7270/Q2XK8FSK
Elan Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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