BDBM50303716 2-amino-4-(4-fluoro-3-(pyrimidin-5-yl)phenyl)-4-(4-methoxy-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL567688

SMILES: COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cncnc1

InChI Key: InChIKey=IRDBIIRYCSZMEB-UHFFFAOYSA-N

Data: 5 IC50  1 EC50

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 6 hits for monomerid = 50303716   

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))	BDBM50303716 (2-amino-4-(4-fluoro-3-(pyrimidin-5-yl)phenyl)-4-(4...) Show SMILES COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cncnc1 |t:11| Show InChI InChI=1S/C22H20FN5O2/c1-13-8-15(5-7-19(13)30-3)22(20(29)28(2)21(24)27-22)16-4-6-18(23)17(9-16)14-10-25-12-26-11-14/h4-12H,1-3H3,(H2,24,27)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50303716 (2-amino-4-(4-fluoro-3-(pyrimidin-5-yl)phenyl)-4-(4...) Show SMILES COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cncnc1 |t:11| Show InChI InChI=1S/C22H20FN5O2/c1-13-8-15(5-7-19(13)30-3)22(20(29)28(2)21(24)27-22)16-4-6-18(23)17(9-16)14-10-25-12-26-11-14/h4-12H,1-3H3,(H2,24,27)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	40	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
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50303716 (2-amino-4-(4-fluoro-3-(pyrimidin-5-yl)phenyl)-4-(4...) Show SMILES COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cncnc1 |t:11| Show InChI InChI=1S/C22H20FN5O2/c1-13-8-15(5-7-19(13)30-3)22(20(29)28(2)21(24)27-22)16-4-6-18(23)17(9-16)14-10-25-12-26-11-14/h4-12H,1-3H3,(H2,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.76E+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))	BDBM50303716 (2-amino-4-(4-fluoro-3-(pyrimidin-5-yl)phenyl)-4-(4...) Show SMILES COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cncnc1 |t:11| Show InChI InChI=1S/C22H20FN5O2/c1-13-8-15(5-7-19(13)30-3)22(20(29)28(2)21(24)27-22)16-4-6-18(23)17(9-16)14-10-25-12-26-11-14/h4-12H,1-3H3,(H2,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+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))	BDBM50303716 (2-amino-4-(4-fluoro-3-(pyrimidin-5-yl)phenyl)-4-(4...) Show SMILES COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cncnc1 |t:11| Show InChI InChI=1S/C22H20FN5O2/c1-13-8-15(5-7-19(13)30-3)22(20(29)28(2)21(24)27-22)16-4-6-18(23)17(9-16)14-10-25-12-26-11-14/h4-12H,1-3H3,(H2,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.70E+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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50303716 (2-amino-4-(4-fluoro-3-(pyrimidin-5-yl)phenyl)-4-(4...) Show SMILES COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cncnc1 |t:11| Show InChI InChI=1S/C22H20FN5O2/c1-13-8-15(5-7-19(13)30-3)22(20(29)28(2)21(24)27-22)16-4-6-18(23)17(9-16)14-10-25-12-26-11-14/h4-12H,1-3H3,(H2,24,27)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human BACE1				Eur J Med Chem 46: 58-64 (2010) Article DOI: 10.1016/j.ejmech.2010.10.014 BindingDB Entry DOI: 10.7270/Q2P55PRK
					More data for this Ligand-Target Pair