BDBM50379202 CHEMBL1981917

SMILES: NC1=Nc2ccccc2Sc2cccc(F)c12

InChI Key: InChIKey=PQWQVZVWCFLQGK-UHFFFAOYSA-N

Data: 2 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 = 50379202   

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))	BDBM50379202 (CHEMBL1981917) Show SMILES NC1=Nc2ccccc2Sc2cccc(F)c12 |t:1| Show InChI InChI=1S/C13H9FN2S/c14-8-4-3-7-11-12(8)13(15)16-9-5-1-2-6-10(9)17-11/h1-7H,(H2,15,16)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.25E+5	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Binding affinity to BACE1 by surface plasmon resonance method				J Med Chem 55: 678-87 (2012) Article DOI: 10.1021/jm201441k BindingDB Entry DOI: 10.7270/Q2Q81F2J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50379202 (CHEMBL1981917) Show SMILES NC1=Nc2ccccc2Sc2cccc(F)c12 |t:1| Show InChI InChI=1S/C13H9FN2S/c14-8-4-3-7-11-12(8)13(15)16-9-5-1-2-6-10(9)17-11/h1-7H,(H2,15,16)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.00E+5	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Binding affinity to BACE1 by NMR-based differential chemical shift perturbation method				J Med Chem 55: 678-87 (2012) Article DOI: 10.1021/jm201441k BindingDB Entry DOI: 10.7270/Q2Q81F2J
					More data for this Ligand-Target Pair