BDBM136544 US8865701, 3::US9505739, 3

SMILES: COc1cccc2c1OCC[C@]21CNC[C@H]1C(=O)N1CC[C@H](C[C@H]1C1CCCC(F)(F)C1)c1ccccc1

InChI Key: InChIKey=QDJWLSPATDJTJC-GVYFLOEHSA-N

Data: 2 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 2 hits for monomerid = 136544   

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))	BDBM136544 (US8865701, 3 | US9505739, 3) Show SMILES COc1cccc2c1OCC[C@]21CNC[C@H]1C(=O)N1CC[C@H](C[C@H]1C1CCCC(F)(F)C1)c1ccccc1 |r| Show InChI InChI=1S/C31H38F2N2O3/c1-37-27-11-5-10-24-28(27)38-16-14-30(24)20-34-19-25(30)29(36)35-15-12-22(21-7-3-2-4-8-21)17-26(35)23-9-6-13-31(32,33)18-23/h2-5,7-8,10-11,22-23,25-26,34H,6,9,12-20H2,1H3/t22-,23?,25+,26+,30+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.19E+3	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 US9505739 (2016) BindingDB Entry DOI: 10.7270/Q2C53JST
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM136544 (US8865701, 3 | US9505739, 3) Show SMILES COc1cccc2c1OCC[C@]21CNC[C@H]1C(=O)N1CC[C@H](C[C@H]1C1CCCC(F)(F)C1)c1ccccc1 |r| Show InChI InChI=1S/C31H38F2N2O3/c1-37-27-11-5-10-24-28(27)38-16-14-30(24)20-34-19-25(30)29(36)35-15-12-22(21-7-3-2-4-8-21)17-26(35)23-9-6-13-31(32,33)18-23/h2-5,7-8,10-11,22-23,25-26,34H,6,9,12-20H2,1H3/t22-,23?,25+,26+,30+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.19E+3	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
					More data for this Ligand-Target Pair