BDBM101031 US8507479, 680

SMILES: COc1ncc(NC(=O)c2cnc(C)cn2)cc1[C@]1(C)CCSC(N)=N1

InChI Key: InChIKey=NRKGBPFDYGIPKB-KRWDZBQOSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 101031   

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))	BDBM101031 (US8507479, 680) Show SMILES COc1ncc(NC(=O)c2cnc(C)cn2)cc1[C@]1(C)CCSC(N)=N1 |r,c:26| Show InChI InChI=1S/C17H20N6O2S/c1-10-7-20-13(9-19-10)14(24)22-11-6-12(15(25-3)21-8-11)17(2)4-5-26-16(18)23-17/h6-9H,4-5H2,1-3H3,(H2,18,23)(H,22,24)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	7.0	n/a
Shionogi & Co., Ltd. US Patent					Assay Description Inhibition assay using human BACE-1.				US Patent US8541408 (2013) BindingDB Entry DOI: 10.7270/Q2KK99D8
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM101031 (US8507479, 680) Show SMILES COc1ncc(NC(=O)c2cnc(C)cn2)cc1[C@]1(C)CCSC(N)=N1 |r,c:26| Show InChI InChI=1S/C17H20N6O2S/c1-10-7-20-13(9-19-10)14(24)22-11-6-12(15(25-3)21-8-11)17(2)4-5-26-16(18)23-17/h6-9H,4-5H2,1-3H3,(H2,18,23)(H,22,24)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. US Patent					Assay Description Beta-Secretase inhibition assay.				US Patent US8507479 (2013) BindingDB Entry DOI: 10.7270/Q2KS6Q6G
					More data for this Ligand-Target Pair