BDBM136554 US8865701, 100

SMILES: Cc1cccc(c1)C1CC(CCN1C(=O)C1CNC[C@]11CCCc2nc(Cl)ccc12)c1ccccc1

InChI Key: InChIKey=SHGDACKXZZBVAK-HSPASALISA-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 = 136554   

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))	BDBM136554 (US8865701, 100) Show SMILES Cc1cccc(c1)C1CC(CCN1C(=O)C1CNC[C@]11CCCc2nc(Cl)ccc12)c1ccccc1 |r| Show InChI InChI=1S/C31H34ClN3O/c1-21-7-5-10-24(17-21)28-18-23(22-8-3-2-4-9-22)14-16-35(28)30(36)26-19-33-20-31(26)15-6-11-27-25(31)12-13-29(32)34-27/h2-5,7-10,12-13,17,23,26,28,33H,6,11,14-16,18-20H2,1H3/t23?,26?,28?,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	450	n/a	n/a	n/a	n/a	6.5	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description A homogeneous end point electrochemiluminescence (ECL) assay is performed using a biotinylated BACE substrate. The Km of the substrate is approximate...				US Patent US8865701 (2014) BindingDB Entry DOI: 10.7270/Q2KP80V1
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