BDBM50042290 CHEMBL3361307

SMILES: CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](CC(C)C)Cn1nc(C)cc1C)C(C)C

InChI Key: InChIKey=GWDHWJLBMIYKMZ-VCDNNQQPSA-N

Data: 1 KI

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 = 50042290   

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))	BDBM50042290 (CHEMBL3361307) Show SMILES CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](CC(C)C)Cn1nc(C)cc1C)C(C)C |r| Show InChI InChI=1S/C39H71N7O7/c1-22(2)15-29(21-46-28(11)18-27(10)45-46)35(49)43-31(20-41-38(52)53-39(12,13)14)36(50)42-30(16-23(3)4)32(47)17-26(9)34(48)44-33(25(7)8)37(51)40-19-24(5)6/h18,22-26,29-33,47H,15-17,19-21H2,1-14H3,(H,40,51)(H,41,52)(H,42,50)(H,43,49)(H,44,48)/t26-,29+,30+,31+,32+,33+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of recombinant BACE1 (unknown origin)				Bioorg Med Chem Lett 25: 668-72 (2015) Article DOI: 10.1016/j.bmcl.2014.11.087 BindingDB Entry DOI: 10.7270/Q2N58P0J
					More data for this Ligand-Target Pair