BDBM50231496 CHEMBL400087::N-{2-[2-[4-(4-acetyl-phenoxy)-phenyl]-5-(3-cyano-phenyl)-pyrrol-1-yl]-acetyl}-guanidine

SMILES: CC(=O)c1ccc(Oc2ccc(cc2)-c2ccc(-c3cccc(c3)C#N)n2CC(=O)NC(N)=N)cc1

InChI Key: InChIKey=QKLGPGHKVMBFQS-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 = 50231496   

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))	BDBM50231496 (CHEMBL400087 | N-{2-[2-[4-(4-acetyl-phenoxy)-pheny...) Show SMILES CC(=O)c1ccc(Oc2ccc(cc2)-c2ccc(-c3cccc(c3)C#N)n2CC(=O)NC(N)=N)cc1 Show InChI InChI=1S/C28H23N5O3/c1-18(34)20-5-9-23(10-6-20)36-24-11-7-21(8-12-24)25-13-14-26(22-4-2-3-19(15-22)16-29)33(25)17-27(35)32-28(30)31/h2-15H,17H2,1H3,(H4,30,31,32,35)	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	800	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 18: 1063-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.010 BindingDB Entry DOI: 10.7270/Q22807CT
					More data for this Ligand-Target Pair