Affinity Data by PDB ID

PDB code 3MSL

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 1 (406/406 = 100%)^† (Homo sapiens (Human))	BDBM50324922 ((3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-(...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Evotec UK Ltd Curated by ChEMBL					Assay Description Inhibition of human BACE1				Bioorg Med Chem Lett 20: 5329-33 (2010) Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7
Evotec UK Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (406/406 = 100%)^† (Homo sapiens (Human))	BDBM50324922 ((3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-(...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Evotec UK Ltd Curated by ChEMBL					Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay				Bioorg Med Chem Lett 20: 5329-33 (2010) Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7
Evotec UK Ltd 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