Affinity Data by PDB ID

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PDB code 2XFK

Identical Ligands in BindingDB

Found 3 hits 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 (388/392 = 99%)^† (Homo sapiens (Human))	BDBM50322882 (CHEMBL1210359 \| N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLA...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 20: 4639-44 (2010) Article DOI: 10.1016/j.bmcl.2010.05.111 BindingDB Entry DOI: 10.7270/Q2RB75K7
GlaxoSmithKline R&D Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (388/392 = 99%)^† (Homo sapiens (Human))	BDBM50322882 (CHEMBL1210359 \| N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLA...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of BACE1 assessed as inhibition of amyloid beta-40 production by cell based assay				Bioorg Med Chem Lett 20: 4639-44 (2010) Article DOI: 10.1016/j.bmcl.2010.05.111 BindingDB Entry DOI: 10.7270/Q2RB75K7
GlaxoSmithKline R&D Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (388/392 = 99%)^† (Homo sapiens (Human))	BDBM50322882 (CHEMBL1210359 \| N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLA...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of BACE1 assessed as inhibition of amyloid beta-42 production by cell based assay				Bioorg Med Chem Lett 20: 4639-44 (2010) Article DOI: 10.1016/j.bmcl.2010.05.111 BindingDB Entry DOI: 10.7270/Q2RB75K7
GlaxoSmithKline R&D Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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