BDBM50428339 CHEMBL2331714

SMILES: NC1=NC2(CC2CCS1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F

InChI Key: InChIKey=COCAUCFPFHUGAA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50428339   

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 2 (Rattus norvegicus)	BDBM50428339 (CHEMBL2331714) Show SMILES NC1=NC2(CC2CCS1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |t:1| Show InChI InChI=1S/C18H16ClFN4OS/c19-11-1-4-15(22-9-11)16(25)23-12-2-3-14(20)13(7-12)18-8-10(18)5-6-26-17(21)24-18/h1-4,7,9-10H,5-6,8H2,(H2,21,24)(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Inhibition of BACE2-mediated TMEM27 cleavage in rat INS-1E cells expressing doxycycline-dependent human full-length TMEM27 by ELISA				ACS Med Chem Lett 4: 379-80 (2013) Article DOI: 10.1021/ml400060e BindingDB Entry DOI: 10.7270/Q2Z039GF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50428339 (CHEMBL2331714) Show SMILES NC1=NC2(CC2CCS1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |t:1| Show InChI InChI=1S/C18H16ClFN4OS/c19-11-1-4-15(22-9-11)16(25)23-12-2-3-14(20)13(7-12)18-8-10(18)5-6-26-17(21)24-18/h1-4,7,9-10H,5-6,8H2,(H2,21,24)(H,23,25)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells transfected with human wild type APP695 assessed as decrease in amyloid beta 40 level after 18 to 20 hrs by...				ACS Med Chem Lett 4: 379-80 (2013) Article DOI: 10.1021/ml400060e BindingDB Entry DOI: 10.7270/Q2Z039GF
					More data for this Ligand-Target Pair