BDBM50351936 CHEMBL1821826

SMILES: C[C@H](Cc1cc2cc(ccc2nc1N)-c1ncccc1C)C(=O)NCCC(C)(C)C

InChI Key: InChIKey=ZVOWIRUWKAUSAB-QGZVFWFLSA-N

Data: 2 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 2 hits for monomerid = 50351936   

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))	BDBM50351936 (CHEMBL1821826) Show SMILES C[C@H](Cc1cc2cc(ccc2nc1N)-c1ncccc1C)C(=O)NCCC(C)(C)C |r| Show InChI InChI=1S/C25H32N4O/c1-16-7-6-11-27-22(16)18-8-9-21-19(14-18)15-20(23(26)29-21)13-17(2)24(30)28-12-10-25(3,4)5/h6-9,11,14-15,17H,10,12-13H2,1-5H3,(H2,26,29)(H,28,30)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells expressing APP with Swedish mutation assessed as amyloidbeta 40 level by sandwich ELISA				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))	BDBM50351936 (CHEMBL1821826) Show SMILES C[C@H](Cc1cc2cc(ccc2nc1N)-c1ncccc1C)C(=O)NCCC(C)(C)C |r| Show InChI InChI=1S/C25H32N4O/c1-16-7-6-11-27-22(16)18-8-9-21-19(14-18)15-20(23(26)29-21)13-17(2)24(30)28-12-10-25(3,4)5/h6-9,11,14-15,17H,10,12-13H2,1-5H3,(H2,26,29)(H,28,30)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 after 60 mins by FRET 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