BDBM50324920 (S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(cyclopropylmethyl)pentanamide::CHEMBL1222238

SMILES: CC[C@@H](CC(=O)NCC1CC1)n1c(N)nc2cc(Cl)ccc12

InChI Key: InChIKey=PYEQKSCLPQJZJX-LBPRGKRZSA-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 = 50324920   

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))	BDBM50324920 ((S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-...) Show SMILES CC[C@@H](CC(=O)NCC1CC1)n1c(N)nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C16H21ClN4O/c1-2-12(8-15(22)19-9-10-3-4-10)21-14-6-5-11(17)7-13(14)20-16(21)18/h5-7,10,12H,2-4,8-9H2,1H3,(H2,18,20)(H,19,22)/t12-/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	2.43E+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