BDBM50220313 4-(3-(2-(amino(3-hydroxypropylamino)methyleneamino)-2-oxoethyl)-4-(2-chlorophenyl)thiophen-2-yl)-N-propylbenzamide::CHEMBL237284

SMILES: CCCNC(=O)c1ccc(cc1)-c1scc(c1CC(=O)NC(=N)NCCCO)-c1ccccc1Cl

InChI Key: InChIKey=CTBLVOKHJDAVPE-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 = 50220313   

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))	BDBM50220313 (4-(3-(2-(amino(3-hydroxypropylamino)methyleneamino...) Show SMILES CCCNC(=O)c1ccc(cc1)-c1scc(c1CC(=O)NC(=N)NCCCO)-c1ccccc1Cl Show InChI InChI=1S/C26H29ClN4O3S/c1-2-12-29-25(34)18-10-8-17(9-11-18)24-20(15-23(33)31-26(28)30-13-5-14-32)21(16-35-24)19-6-3-4-7-22(19)27/h3-4,6-11,16,32H,2,5,12-15H2,1H3,(H,29,34)(H3,28,30,31,33)	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	260	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