BDBM50379895 CHEMBL2011980

SMILES: CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cncc(Cl)c1

InChI Key: InChIKey=WCLBHPJZARGGNQ-UHFFFAOYSA-N

Data: 1 KI

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 = 50379895   

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))	BDBM50379895 (CHEMBL2011980) Show SMILES CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cncc(Cl)c1 |c:3| Show InChI InChI=1S/C21H17ClN4O/c1-26-19(27)21(25-20(26)23,16-7-3-2-4-8-16)17-9-5-6-14(10-17)15-11-18(22)13-24-12-15/h2-13H,1H3,(H2,23,25)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	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