BDBM50324921 (3S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(2-(pyrrolidin-3-yl)ethyl)pentanamide::CHEMBL1222239

SMILES: CC[C@@H](CC(=O)NCCC1CCNC1)n1c(N)nc2cc(Cl)ccc12

InChI Key: InChIKey=SHGRFCHQDXOVIT-PYMCNQPYSA-N

Data: 1 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 1 hit for monomerid = 50324921   

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))	BDBM50324921 ((3S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)...) Show SMILES CC[C@@H](CC(=O)NCCC1CCNC1)n1c(N)nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C18H26ClN5O/c1-2-14(10-17(25)22-8-6-12-5-7-21-11-12)24-16-4-3-13(19)9-15(16)23-18(24)20/h3-4,9,12,14,21H,2,5-8,10-11H2,1H3,(H2,20,23)(H,22,25)/t12?,14-/m0/s1	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	2.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
Evotec UK Ltd Curated by ChEMBL					Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay				Bioorg Med Chem Lett 20: 5329-33 (2010) Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7
					More data for this Ligand-Target Pair