BDBM16704 (2R)-2-(5-{3-[(Z)-2-(2-methylcyclopropyl)ethenyl]-5-(N-propylmethanesulfonamido)phenyl}-1,3,4-oxadiazol-2-yl)-1-phenylpropan-2-aminium::(2R)-2-(5-{3-[(Z)-2-(2-methylcyclopropyl)ethenyl]-5-[(methylsulfonyl)(propyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)-1-phenylpropan-2-aminium::tertiary carbinamine, 3

SMILES: CCCN(c1cc(\C=C/C2CC2C)cc(c1)-c1nnc(o1)[C@](C)([NH3+])Cc1ccccc1)S(C)(=O)=O

InChI Key: InChIKey=ATBRTKCWBKAENR-AHVFUXJKSA-O

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 = 16704   

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))	BDBM16704 ((2R)-2-(5-{3-[(Z)-2-(2-methylcyclopropyl)ethenyl]-...) Show SMILES CCCN(c1cc(\C=C/C2CC2C)cc(c1)-c1nnc(o1)[C@](C)([NH3+])Cc1ccccc1)S(C)(=O)=O |r| Show InChI InChI=1S/C27H34N4O3S/c1-5-13-31(35(4,32)33)24-16-21(11-12-22-14-19(22)2)15-23(17-24)25-29-30-26(34-25)27(3,28)18-20-9-7-6-8-10-20/h6-12,15-17,19,22H,5,13-14,18,28H2,1-4H3/p+1/b12-11-/t19?,22?,27-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	51.9	-9.83	n/a	n/a	n/a	n/a	n/a	4.5	22
Merck Research Laboratories					Assay Description The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for ...				Bioorg Med Chem Lett 17: 1117-21 (2007) Article DOI: 10.1016/j.bmcl.2006.11.003 BindingDB Entry DOI: 10.7270/Q23X84W6
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