BDBM50042292 CHEMBL3361309

SMILES: CSC[C@H](NC(=O)[C@@H](C)Cn1nc(C)cc1C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C

InChI Key: InChIKey=CLBPZTAXADIGRW-WTOKIVCYSA-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 = 50042292   

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))	BDBM50042292 (CHEMBL3361309) Show SMILES CSC[C@H](NC(=O)[C@@H](C)Cn1nc(C)cc1C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C |r| Show InChI InChI=1S/C32H58N6O5S/c1-18(2)12-25(27(39)13-21(7)29(40)36-28(20(5)6)32(43)33-15-19(3)4)34-31(42)26(17-44-11)35-30(41)22(8)16-38-24(10)14-23(9)37-38/h14,18-22,25-28,39H,12-13,15-17H2,1-11H3,(H,33,43)(H,34,42)(H,35,41)(H,36,40)/t21-,22+,25+,26+,27+,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	64	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