BDBM50351911 CHEMBL1821800

SMILES: Nc1ccc2c(Br)cccc2n1

InChI Key: InChIKey=KBQIVWNPOZQTTE-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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 2 hits for monomerid = 50351911   

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))	BDBM50351911 (CHEMBL1821800) Show SMILES Nc1ccc2c(Br)cccc2n1 Show InChI InChI=1S/C9H7BrN2/c10-7-2-1-3-8-6(7)4-5-9(11)12-8/h1-5H,(H2,11,12)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1 using 19F-labeled EVNLDAEF(CF3) as substrate after 20 mins by NMR spectrometery				J Med Chem 54: 5836-57 (2011) Article DOI: 10.1021/jm200544q BindingDB Entry DOI: 10.7270/Q23J3DBN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50351911 (CHEMBL1821800) Show SMILES Nc1ccc2c(Br)cccc2n1 Show InChI InChI=1S/C9H7BrN2/c10-7-2-1-3-8-6(7)4-5-9(11)12-8/h1-5H,(H2,11,12)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.09E+5	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Binding affinity to BACE1 after 90 seconds by surface plasmon resonance assay				J Med Chem 54: 5836-57 (2011) Article DOI: 10.1021/jm200544q BindingDB Entry DOI: 10.7270/Q23J3DBN
					More data for this Ligand-Target Pair