Affinity Data by PDB ID

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PDB code 1XS7

Identical Ligands in BindingDB

Found 2 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 (BACE) (389/389 = 100%)^† (Homo sapiens (Human))	BDBM16271 ((2R,4S,5S)-N-[(1S)-1-(benzylcarbamoyl)-2-methylpro...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human brain BACE1				J Med Chem 56: 4156-80 (2013) BindingDB Entry DOI: 10.7270/Q2KK9FQZ
Vitae Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (389/389 = 100%)^† (Homo sapiens (Human))	BDBM16271 ((2R,4S,5S)-N-[(1S)-1-(benzylcarbamoyl)-2-methylpro...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	25.1	-45.1	n/a	n/a	n/a	n/a	n/a	4.5	37
University of Illinois at Chicago					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				Bioorg Med Chem Lett 15: 15-20 (2005) Article DOI: 10.1016/j.bmcl.2004.10.084 BindingDB Entry DOI: 10.7270/Q2ZC814B
University of Illinois at Chicago					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