BDBM50226448 (6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one::(R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydro-3H-pyrimidin-4-one::CHEMBL239857

SMILES: COc1cccc(c1)-c1cccc(CC[C@]2(C)CC(=O)N(C)C(N)=N2)c1

InChI Key: InChIKey=VDFBMQAUECXNKR-OAQYLSRUSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50226448   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226448 ((6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-...) Show SMILES COc1cccc(c1)-c1cccc(CC[C@]2(C)CC(=O)N(C)C(N)=N2)c1 Show InChI InChI=1S/C21H25N3O2/c1-21(14-19(25)24(2)20(22)23-21)11-10-15-6-4-7-16(12-15)17-8-5-9-18(13-17)26-3/h4-9,12-13H,10-11,14H2,1-3H3,(H2,22,23)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase (BACE) (Homo sapiens (Human))	BDBM50226448 ((6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-...) Show SMILES COc1cccc(c1)-c1cccc(CC[C@]2(C)CC(=O)N(C)C(N)=N2)c1 Show InChI InChI=1S/C21H25N3O2/c1-21(14-19(25)24(2)20(22)23-21)11-10-15-6-4-7-16(12-15)17-8-5-9-18(13-17)26-3/h4-9,12-13H,10-11,14H2,1-3H3,(H2,22,23)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 expressed in Escherichia coli BL21(DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 1 hr by fluorescenc...				Bioorg Med Chem 21: 6506-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.036 BindingDB Entry DOI: 10.7270/Q25H7K6Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226448 ((6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-...) Show SMILES COc1cccc(c1)-c1cccc(CC[C@]2(C)CC(=O)N(C)C(N)=N2)c1 Show InChI InChI=1S/C21H25N3O2/c1-21(14-19(25)24(2)20(22)23-21)11-10-15-6-4-7-16(12-15)17-8-5-9-18(13-17)26-3/h4-9,12-13H,10-11,14H2,1-3H3,(H2,22,23)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of human full length BACE1 expressed in HEK293 cells				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair				3D Structure (crystal)