BDBM50432187 CHEMBL2136098

SMILES: CC1(C)Cc2ccccc2C(NC(Cc2ccccc2)C(O)=O)=N1

InChI Key: InChIKey=SKZOZLFDNIMQMW-UHFFFAOYSA-N

Data: 1 IC50

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 = 50432187   

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))	BDBM50432187 (CHEMBL2136098) Show SMILES CC1(C)Cc2ccccc2C(NC(Cc2ccccc2)C(O)=O)=N1 |c:24| Show InChI InChI=1S/C20H22N2O2/c1-20(2)13-15-10-6-7-11-16(15)18(22-20)21-17(19(23)24)12-14-8-4-3-5-9-14/h3-11,17H,12-13H2,1-2H3,(H,21,22)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of BACE-1 (unknown origin) by alpha screen assay				Bioorg Med Chem Lett 23: 2181-6 (2013) Article DOI: 10.1016/j.bmcl.2013.01.103 BindingDB Entry DOI: 10.7270/Q25B03WH
					More data for this Ligand-Target Pair				3D Structure (crystal)