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SMILES: [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#6]-[#6])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O

InChI Key: InChIKey=ZHDRSJWNMCFHCE-PWWADMGWSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50108525   

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))	BDBM50108525 (CHEMBL2370091 | NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Il...) Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#6]-[#6])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C88H142N24O35/c1-11-39(5)66(110-78(137)53(34-57(90)117)104-81(140)64(92)42(8)114)83(142)100-46(21-16-17-31-89)73(132)111-68(43(9)115)85(144)101-48(24-28-60(121)122)71(130)98-50(26-30-62(125)126)75(134)109-67(40(6)12-2)84(143)107-56(37-113)80(139)99-49(25-29-61(123)124)74(133)108-65(38(3)4)82(141)105-54(35-58(91)118)79(138)112-69(44(10)116)86(145)106-55(36-63(127)128)76(135)96-41(7)70(129)97-47(23-27-59(119)120)72(131)103-52(33-45-19-14-13-15-20-45)77(136)102-51(87(146)147)22-18-32-95-88(93)94/h13-15,19-20,38-44,46-56,64-69,113-116H,11-12,16-18,21-37,89,92H2,1-10H3,(H2,90,117)(H2,91,118)(H,96,135)(H,97,129)(H,98,130)(H,99,139)(H,100,142)(H,101,144)(H,102,136)(H,103,131)(H,104,140)(H,105,141)(H,106,145)(H,107,143)(H,108,133)(H,109,134)(H,110,137)(H,111,132)(H,112,138)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,146,147)(H4,93,94,95)/t39-,40-,41-,42+,43+,44?,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,64-,65-,66-,67-,68-,69-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay				J Med Chem 45: 259-62 (2002) BindingDB Entry DOI: 10.7270/Q23F4QC5
					More data for this Ligand-Target Pair