BDBM50303743 2-amino-4-(3-fluoro-5-(pyrimidin-5-yl)phenyl)-1-methyl-4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566633

SMILES: CN1C(N)=NC(C1=O)(c1ccc(OC(F)(F)F)cc1)c1cc(F)cc(c1)-c1cncnc1

InChI Key: InChIKey=SWJSIMOUBCDDJW-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 50303743   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-secretase 1 (Homo sapiens (Human))	BDBM50303743 (2-amino-4-(3-fluoro-5-(pyrimidin-5-yl)phenyl)-1-me...) Show SMILES CN1C(N)=NC(C1=O)(c1ccc(OC(F)(F)F)cc1)c1cc(F)cc(c1)-c1cncnc1 |c:3| Show InChI InChI=1S/C21H15F4N5O2/c1-30-18(31)20(29-19(30)26,14-2-4-17(5-3-14)32-21(23,24)25)15-6-12(7-16(22)8-15)13-9-27-11-28-10-13/h2-11H,1H3,(H2,26,29)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	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
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50303743 (2-amino-4-(3-fluoro-5-(pyrimidin-5-yl)phenyl)-1-me...) Show SMILES CN1C(N)=NC(C1=O)(c1ccc(OC(F)(F)F)cc1)c1cc(F)cc(c1)-c1cncnc1 |c:3| Show InChI InChI=1S/C21H15F4N5O2/c1-30-18(31)20(29-19(30)26,14-2-4-17(5-3-14)32-21(23,24)25)15-6-12(7-16(22)8-15)13-9-27-11-28-10-13/h2-11H,1H3,(H2,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.38E+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
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50303743 (2-amino-4-(3-fluoro-5-(pyrimidin-5-yl)phenyl)-1-me...) Show SMILES CN1C(N)=NC(C1=O)(c1ccc(OC(F)(F)F)cc1)c1cc(F)cc(c1)-c1cncnc1 |c:3| Show InChI InChI=1S/C21H15F4N5O2/c1-30-18(31)20(29-19(30)26,14-2-4-17(5-3-14)32-21(23,24)25)15-6-12(7-16(22)8-15)13-9-27-11-28-10-13/h2-11H,1H3,(H2,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+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
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50303743 (2-amino-4-(3-fluoro-5-(pyrimidin-5-yl)phenyl)-1-me...) Show SMILES CN1C(N)=NC(C1=O)(c1ccc(OC(F)(F)F)cc1)c1cc(F)cc(c1)-c1cncnc1 |c:3| Show InChI InChI=1S/C21H15F4N5O2/c1-30-18(31)20(29-19(30)26,14-2-4-17(5-3-14)32-21(23,24)25)15-6-12(7-16(22)8-15)13-9-27-11-28-10-13/h2-11H,1H3,(H2,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.55E+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
					More data for this Ligand-Target Pair