BindingDB PrimarySearch

BDBM50302841 CHEMBL571860::N-((2S,3R)-4-(1-(3-tert-butylphenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide::N-[(1S,2R)-3-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide

SMILES: CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C(C)(C)C

InChI Key: InChIKey=RJXIEHBFRZLGTH-IZZNHLLZSA-N

Data: 7 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50302841
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Beta-secretase 1 (Homo sapiens (Human))	BDBM50302841 (CHEMBL571860 \| N-((2S,3R)-4-(1-(3-tert-butylphenyl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	47	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)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50302841 (CHEMBL571860 \| N-((2S,3R)-4-(1-(3-tert-butylphenyl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant BACE1 purified from Escherichia coli				Bioorg Med Chem Lett 20: 6231-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.102 BindingDB Entry DOI: 10.7270/Q2NZ87V9
Elan Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50302841 (CHEMBL571860 \| N-((2S,3R)-4-(1-(3-tert-butylphenyl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay				Bioorg Med Chem Lett 20: 4789-94 (2010) Article DOI: 10.1016/j.bmcl.2010.06.112 BindingDB Entry DOI: 10.7270/Q23N24CF
Elan Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin D (Homo sapiens (Human))	BDBM50302841 (CHEMBL571860 \| N-((2S,3R)-4-(1-(3-tert-butylphenyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin D assessed as reduction in polarization after 110 mins by oregon green based fluorescence polarization assay				Bioorg Med Chem Lett 19: 6386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.09.061 BindingDB Entry DOI: 10.7270/Q23779NV
Elan Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50302841 (CHEMBL571860 \| N-((2S,3R)-4-(1-(3-tert-butylphenyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin D				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
Cathepsin D (Homo sapiens (Human))	BDBM50302841 (CHEMBL571860 \| N-((2S,3R)-4-(1-(3-tert-butylphenyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin-D				Bioorg Med Chem Lett 20: 6231-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.102 BindingDB Entry DOI: 10.7270/Q2NZ87V9
Elan Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50302841 (CHEMBL571860 \| N-((2S,3R)-4-(1-(3-tert-butylphenyl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant BACE1 expressed in Escherichia coli after 3 hrs by oregon green based fluorescence polarization assay				Bioorg Med Chem Lett 19: 6386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.09.061 BindingDB Entry DOI: 10.7270/Q23779NV
Elan Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)