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SMILES: COc1ccc(Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)COC(C)(C)C2(F)F)cn1

InChI Key: InChIKey=POSSNERCWDVBPP-LJQANCHMSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 123880   

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))	BDBM123880 (US8748418, 25) Show SMILES COc1ccc(Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)COC(C)(C)C2(F)F)cn1 |r,t:17| Show InChI InChI=1S/C20H23F3N4O2/c1-18(2)20(22,23)19(3,27-16(24)11-29-18)14-9-12(5-7-15(14)21)26-13-6-8-17(28-4)25-10-13/h5-10,26H,11H2,1-4H3,(H2,24,27)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.63E+3	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))	BDBM123880 (US8748418, 25) Show SMILES COc1ccc(Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)COC(C)(C)C2(F)F)cn1 |r,t:17| Show InChI InChI=1S/C20H23F3N4O2/c1-18(2)20(22,23)19(3,27-16(24)11-29-18)14-9-12(5-7-15(14)21)26-13-6-8-17(28-4)25-10-13/h5-10,26H,11H2,1-4H3,(H2,24,27)/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	410	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