null

SMILES: CC1(C)C(=N)N[C@@](C)(C[S@]1(O)NCCF)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F

InChI Key: InChIKey=HCHJSRXDRLUPOD-NRFANRHFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 242935   

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))	BDBM242935 (US9422255, 11b) Show SMILES CC1(C)C(=N)N[C@@](C)(C[S@]1(O)NCCF)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C21H26ClF2N5O2S/c1-20(2)19(25)29-21(3,12-32(20,31)27-9-8-23)15-10-14(5-6-16(15)24)28-18(30)17-7-4-13(22)11-26-17/h4-7,10-11,27,31H,8-9,12H2,1-3H3,(H2,25,29)(H,28,30)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	-12.1	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor compounds, prepared at 3× the desired final concentration in 1× BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242935 (US9422255, 11b) Show SMILES CC1(C)C(=N)N[C@@](C)(C[S@]1(O)NCCF)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C21H26ClF2N5O2S/c1-20(2)19(25)29-21(3,12-32(20,31)27-9-8-23)15-10-14(5-6-16(15)24)28-18(30)17-7-4-13(22)11-26-17/h4-7,10-11,27,31H,8-9,12H2,1-3H3,(H2,25,29)(H,28,30)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	-11.8	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair