BDBM50300240 3-(3-chlorophenethyl)pyridin-2-amine::3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine::CHEMBL575232

SMILES: Nc1ncccc1CCc1cccc(Cl)c1

InChI Key: InChIKey=XJCJGDOLNLEZIY-UHFFFAOYSA-N

Data: 1 Kd

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 = 50300240   

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))	BDBM50300240 (3-(3-chlorophenethyl)pyridin-2-amine | 3-[2-(3-chl...) Show SMILES Nc1ncccc1CCc1cccc(Cl)c1 Show InChI InChI=1S/C13H13ClN2/c14-12-5-1-3-10(9-12)6-7-11-4-2-8-16-13(11)15/h1-5,8-9H,6-7H2,(H2,15,16)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to BACE1 by fragment-based NMR screening assay				J Med Chem 53: 942-50 (2010) Article DOI: 10.1021/jm901472u BindingDB Entry DOI: 10.7270/Q2348KDC
					More data for this Ligand-Target Pair				3D Structure (crystal)