BDBM50303750 2-amino-4-(3-chloro-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL565996

SMILES: COc1ccc(cc1Cl)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1

InChI Key: InChIKey=NBTCNBCWVKBTIT-UHFFFAOYSA-N

Data: 4 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 5 hits for monomerid = 50303750   

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))	BDBM50303750 (2-amino-4-(3-chloro-4-methoxyphenyl)-1-methyl-4-(3...) Show SMILES COc1ccc(cc1Cl)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:11| Show InChI InChI=1S/C22H19ClN4O2/c1-27-20(28)22(26-21(27)24,17-8-9-19(29-2)18(23)12-17)16-7-3-5-14(11-16)15-6-4-10-25-13-15/h3-13H,1-2H3,(H2,24,26)	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	36	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))	BDBM50303750 (2-amino-4-(3-chloro-4-methoxyphenyl)-1-methyl-4-(3...) Show SMILES COc1ccc(cc1Cl)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:11| Show InChI InChI=1S/C22H19ClN4O2/c1-27-20(28)22(26-21(27)24,17-8-9-19(29-2)18(23)12-17)16-7-3-5-14(11-16)15-6-4-10-25-13-15/h3-13H,1-2H3,(H2,24,26)	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	n/a	n/a	190	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
Cathepsin D (Homo sapiens (Human))	BDBM50303750 (2-amino-4-(3-chloro-4-methoxyphenyl)-1-methyl-4-(3...) Show SMILES COc1ccc(cc1Cl)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:11| Show InChI InChI=1S/C22H19ClN4O2/c1-27-20(28)22(26-21(27)24,17-8-9-19(29-2)18(23)12-17)16-7-3-5-14(11-16)15-6-4-10-25-13-15/h3-13H,1-2H3,(H2,24,26)	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	6.28E+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 2 (Homo sapiens (Human))	BDBM50303750 (2-amino-4-(3-chloro-4-methoxyphenyl)-1-methyl-4-(3...) Show SMILES COc1ccc(cc1Cl)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:11| Show InChI InChI=1S/C22H19ClN4O2/c1-27-20(28)22(26-21(27)24,17-8-9-19(29-2)18(23)12-17)16-7-3-5-14(11-16)15-6-4-10-25-13-15/h3-13H,1-2H3,(H2,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50303750 (2-amino-4-(3-chloro-4-methoxyphenyl)-1-methyl-4-(3...) Show SMILES COc1ccc(cc1Cl)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:11| Show InChI InChI=1S/C22H19ClN4O2/c1-27-20(28)22(26-21(27)24,17-8-9-19(29-2)18(23)12-17)16-7-3-5-14(11-16)15-6-4-10-25-13-15/h3-13H,1-2H3,(H2,24,26)	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	36	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