BDBM249097 US9453034, 11

SMILES: CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ncc(cc2C)C#N)ccc1F

InChI Key: InChIKey=QCOHZBSZFIESBV-NRFANRHFSA-N

Data: 2 KI

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 = 249097   

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))	BDBM249097 (US9453034, 11) Show SMILES CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ncc(cc2C)C#N)ccc1F |r| Show InChI InChI=1S/C22H23FN6O3S/c1-13-6-14(8-24)9-26-18(13)19(30)27-15-4-5-17(23)16(7-15)21(2)12-33(31,32)22(20(25)28-21)10-29(3)11-22/h4-7,9H,10-12H2,1-3H3,(H2,25,28)(H,27,30)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	-12.5	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...				US Patent US9453034 (2016) BindingDB Entry DOI: 10.7270/Q27P8XBC
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM249097 (US9453034, 11) Show SMILES CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ncc(cc2C)C#N)ccc1F |r| Show InChI InChI=1S/C22H23FN6O3S/c1-13-6-14(8-24)9-26-18(13)19(30)27-15-4-5-17(23)16(7-15)21(2)12-33(31,32)22(20(25)28-21)10-29(3)11-22/h4-7,9H,10-12H2,1-3H3,(H2,25,28)(H,27,30)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.30	-12.3	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...				US Patent US9453034 (2016) BindingDB Entry DOI: 10.7270/Q27P8XBC
					More data for this Ligand-Target Pair