Affinity Data by PDB ID

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PDB code 2QP8

Identical Ligands in BindingDB

Found 4 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 (393/393 = 100%)^† (Homo sapiens (Human))	BDBM50227337 (CHEMBL257278 \| N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-...) 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	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
Schering-Plough Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (393/393 = 100%)^† (Homo sapiens (Human))	BDBM50227337 (CHEMBL257278 \| N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-...) 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	8	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human BACE1				Bioorg Med Chem Lett 18: 414-7 (2008) Article DOI: 10.1016/j.bmcl.2007.10.116 BindingDB Entry DOI: 10.7270/Q2RV0PJH
Schering-Plough Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (393/393 = 100%)^† (Homo sapiens (Human))	BDBM50227337 (CHEMBL257278 \| N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-...) 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	106	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human BACE1 assessed as amyloid beta 40 production in human HEK293 cells by ELISA				Bioorg Med Chem Lett 18: 414-7 (2008) Article DOI: 10.1016/j.bmcl.2007.10.116 BindingDB Entry DOI: 10.7270/Q2RV0PJH
Schering-Plough Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (393/393 = 100%)^† (Homo sapiens (Human))	BDBM50227337 (CHEMBL257278 \| N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-...) 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	106	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in HEK293 cells transfected with human APP cDNA containing Swedish ad London FAD mutant assessed as inhibition of amyloid beta 1-...				Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR
Schering-Plough Research Institute 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