null

SMILES: CC(C)Oc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1)C1(C)CCSC(N)=N1

InChI Key: InChIKey=WAKBRVWIQUWQRJ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 38231   

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))	BDBM38231 (US8546380, 1135 | US8633188, 1135) Show SMILES CC(C)Oc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1)C1(C)CCSC(N)=N1 |c:28| Show InChI InChI=1S/C20H23ClN4O2S/c1-12(2)27-16-9-13(20(3)6-7-28-19(22)25-20)8-15(10-16)24-18(26)17-5-4-14(21)11-23-17/h4-5,8-12H,6-7H2,1-3H3,(H2,22,25)(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM38231 (US8546380, 1135 | US8633188, 1135) Show SMILES CC(C)Oc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1)C1(C)CCSC(N)=N1 |c:28| Show InChI InChI=1S/C20H23ClN4O2S/c1-12(2)27-16-9-13(20(3)6-7-28-19(22)25-20)8-15(10-16)24-18(26)17-5-4-14(21)11-23-17/h4-5,8-12H,6-7H2,1-3H3,(H2,22,25)(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. US Patent					Assay Description Inhibition assay using beta-Secretase activity.				US Patent US8546380 (2013) BindingDB Entry DOI: 10.7270/Q2HQ3XJ0
					More data for this Ligand-Target Pair