BDBM50419872 CHEMBL1957469

SMILES: COc1ccc(cc1)C1(N=C(N)N2CCCN=C12)c1cccc(c1)-c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=DTEDGQCAFBVFLT-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50419872   

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))	BDBM50419872 (CHEMBL1957469) Show SMILES COc1ccc(cc1)C1(N=C(N)N2CCCN=C12)c1cccc(c1)-c1cc(Cl)cc(Cl)c1 |t:10,17| Show InChI InChI=1S/C25H22Cl2N4O/c1-32-22-8-6-18(7-9-22)25(23-29-10-3-11-31(23)24(28)30-25)19-5-2-4-16(12-19)17-13-20(26)15-21(27)14-17/h2,4-9,12-15H,3,10-11H2,1H3,(H2,28,30)	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	22	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BACE-1 using (Eu)CEVNLDAEFK(Qsy7) as substrate preincubated for 10 mins prior substrate addition measured after 15 mins by FRET-b...				Bioorg Med Chem Lett 22: 1854-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93
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