BDBM50379879 CHEMBL2012003

SMILES: CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cccnc1

InChI Key: InChIKey=WPHFNWNNCCSZJG-UHFFFAOYSA-N

Data: 2 KI  1 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 3 hits for monomerid = 50379879   

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))	BDBM50379879 (CHEMBL2012003) Show SMILES CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cccnc1 |c:3| Show InChI InChI=1S/C18H18N4O/c1-22-16(23)18(14-7-8-14,21-17(22)19)15-6-2-4-12(10-15)13-5-3-9-20-11-13/h2-6,9-11,14H,7-8H2,1H3,(H2,19,21)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human BACE1 using QSY7EISEVNLDAEFC-Eu-amide as substrate incubated for 30 mins prior to substrate addition measured after 90 mins by FR...				Bioorg Med Chem Lett 22: 2444-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.013 BindingDB Entry DOI: 10.7270/Q2N58NC2
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50379879 (CHEMBL2012003) Show SMILES CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cccnc1 |c:3| Show InChI InChI=1S/C18H18N4O/c1-22-16(23)18(14-7-8-14,21-17(22)19)15-6-2-4-12(10-15)13-5-3-9-20-11-13/h2-6,9-11,14H,7-8H2,1H3,(H2,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human BACE2 using QSY7EISEVNLDAEFC-Eu-amide as substrate incubated for 30 mins prior to substrate addition measured after 90 mins by FR...				Bioorg Med Chem Lett 22: 2444-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.013 BindingDB Entry DOI: 10.7270/Q2N58NC2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50379879 (CHEMBL2012003) Show SMILES CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cccnc1 |c:3| Show InChI InChI=1S/C18H18N4O/c1-22-16(23)18(14-7-8-14,21-17(22)19)15-6-2-4-12(10-15)13-5-3-9-20-11-13/h2-6,9-11,14H,7-8H2,1H3,(H2,19,21)	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	880	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of BACE1 in HEK293 cells expressing APP swedish and london mutant assessed as decrease of amyloid-beta40 level after 4 hrs by electrochemi...				Bioorg Med Chem Lett 22: 2444-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.013 BindingDB Entry DOI: 10.7270/Q2N58NC2
					More data for this Ligand-Target Pair