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SMILES: Cn1ccc(Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)COC(C)(C)C2(F)F)n1

InChI Key: InChIKey=QYGFFWAZNLLMIB-QGZVFWFLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 123873   

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 2 (Homo sapiens (Human))	BDBM123873 (US8748418, 18) Show SMILES Cn1ccc(Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)COC(C)(C)C2(F)F)n1 |r,t:16| Show InChI InChI=1S/C18H22F3N5O/c1-16(2)18(20,21)17(3,24-14(22)10-27-16)12-9-11(5-6-13(12)19)23-15-7-8-26(4)25-15/h5-9H,10H2,1-4H3,(H2,22,24)(H,23,25)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	530	n/a	n/a	n/a	n/a	4.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The FRET assay was performed essentially as described in Gruninger-Leitch et al., Journal of Biological Chemistry (2002) 277(7) 4687-93 (Substrate an...				US Patent US8748418 (2014) BindingDB Entry DOI: 10.7270/Q2C53JJP
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM123873 (US8748418, 18) Show SMILES Cn1ccc(Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)COC(C)(C)C2(F)F)n1 |r,t:16| Show InChI InChI=1S/C18H22F3N5O/c1-16(2)18(20,21)17(3,24-14(22)10-27-16)12-9-11(5-6-13(12)19)23-15-7-8-26(4)25-15/h5-9H,10H2,1-4H3,(H2,22,24)(H,23,25)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	240	n/a	n/a	n/a	n/a	4.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The FRET assay was performed essentially as described in Gruninger-Leitch et al., Journal of Biological Chemistry (2002) 277(7) 4687-93 (Substrate an...				US Patent US8748418 (2014) BindingDB Entry DOI: 10.7270/Q2C53JJP
					More data for this Ligand-Target Pair