BDBM50220319 2-(2-(2-chlorophenyl)-4-(4-propoxyphenyl)thiophen-3-yl)-N-(diaminomethylene)acetamide::CHEMBL391087::N-[amino(imino)methyl]-2-[2-(2-chlorophenyl)-4-(4-propoxyphenyl)-3-thienyl]acetamide

SMILES: CCCOc1ccc(cc1)-c1csc(c1CC(=O)NC(N)=N)-c1ccccc1Cl

InChI Key: InChIKey=VZSMTBLDWPKVRW-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50220319   

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))	BDBM50220319 (2-(2-(2-chlorophenyl)-4-(4-propoxyphenyl)thiophen-...) Show SMILES CCCOc1ccc(cc1)-c1csc(c1CC(=O)NC(N)=N)-c1ccccc1Cl Show InChI InChI=1S/C22H22ClN3O2S/c1-2-11-28-15-9-7-14(8-10-15)18-13-29-21(16-5-3-4-6-19(16)23)17(18)12-20(27)26-22(24)25/h3-10,13H,2,11-12H2,1H3,(H4,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				Bioorg Med Chem Lett 17: 5353-6 (2007) Article DOI: 10.1016/j.bmcl.2007.08.010 BindingDB Entry DOI: 10.7270/Q2WQ03GF
					More data for this Ligand-Target Pair				3D Structure (crystal)