BindingDB PrimarySearch

BDBM50303734 (S)-5-Adamantan-1-yl-2-amino-5-(4-methoxy-3-methyl-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one::CHEMBL571320

SMILES: COc1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=HZIOSWLCMNAEBB-RCRNZYILSA-N

Data: 7 IC50 2 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50303734
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 2 (Homo sapiens (Human))	BDBM50303734 ((S)-5-Adamantan-1-yl-2-amino-5-(4-methoxy-3-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE2 by FRET based peptide cleavage assay				J Med Chem 53: 1146-58 (2010) Article DOI: 10.1021/jm901414e BindingDB Entry DOI: 10.7270/Q2SX6DBS
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50303734 ((S)-5-Adamantan-1-yl-2-amino-5-(4-methoxy-3-methyl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE1 expressed in CHOK1 cells coexpressing human recombinant wild type APP assessed as blockade of amyloid beta production by ELISA				J Med Chem 53: 1146-58 (2010) Article DOI: 10.1021/jm901414e BindingDB Entry DOI: 10.7270/Q2SX6DBS
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50303734 ((S)-5-Adamantan-1-yl-2-amino-5-(4-methoxy-3-methyl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET based peptide cleavage assay				J Med Chem 53: 1146-58 (2010) Article DOI: 10.1021/jm901414e BindingDB Entry DOI: 10.7270/Q2SX6DBS
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50303734 ((S)-5-Adamantan-1-yl-2-amino-5-(4-methoxy-3-methyl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	230	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE1 expressed in CHOK1 cells coexpressing human recombinant wild type APP assessed as blockade of amyloid beta production by ELISA				J Med Chem 53: 1146-58 (2010) Article DOI: 10.1021/jm901414e BindingDB Entry DOI: 10.7270/Q2SX6DBS
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50303734 ((S)-5-Adamantan-1-yl-2-amino-5-(4-methoxy-3-methyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin by FRET based peptide cleavage assay				J Med Chem 53: 1146-58 (2010) Article DOI: 10.1021/jm901414e BindingDB Entry DOI: 10.7270/Q2SX6DBS
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50303734 ((S)-5-Adamantan-1-yl-2-amino-5-(4-methoxy-3-methyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human cathepsin D by FRET based peptide cleavage assay				J Med Chem 53: 1146-58 (2010) Article DOI: 10.1021/jm901414e BindingDB Entry DOI: 10.7270/Q2SX6DBS
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50303734 ((S)-5-Adamantan-1-yl-2-amino-5-(4-methoxy-3-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE2 by FRET based peptide cleavage assay				J Med Chem 53: 1146-58 (2010) Article DOI: 10.1021/jm901414e BindingDB Entry DOI: 10.7270/Q2SX6DBS
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50303734 ((S)-5-Adamantan-1-yl-2-amino-5-(4-methoxy-3-methyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	9.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human cathepsin D by FRET based peptide cleavage assay				J Med Chem 53: 1146-58 (2010) Article DOI: 10.1021/jm901414e BindingDB Entry DOI: 10.7270/Q2SX6DBS
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50303734 ((S)-5-Adamantan-1-yl-2-amino-5-(4-methoxy-3-methyl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET based peptide cleavage assay				J Med Chem 53: 1146-58 (2010) Article DOI: 10.1021/jm901414e BindingDB Entry DOI: 10.7270/Q2SX6DBS
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)