BDBM195125 US10336717, Compound 185::US9212153, 185,Ex. 146

SMILES: COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cncc(c2)C(F)(F)F)CC1

InChI Key: InChIKey=JMEQARWSZRJUJJ-UHFFFAOYSA-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 = 195125   

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))	BDBM195125 (US10336717, Compound 185 | US9212153, 185,Ex. 146) Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cncc(c2)C(F)(F)F)CC1 |t:16,(10.04,-6.62,;8.71,-7.39,;7.37,-6.62,;6.29,-7.71,;4.95,-6.94,;3.41,-6.94,;2.5,-8.19,;1.04,-7.71,;-.3,-8.48,;-1.63,-7.71,;-1.63,-6.17,;-.3,-5.4,;1.04,-6.17,;2.5,-5.7,;1.6,-4.45,;2.5,-3.21,;1.73,-1.87,;3.97,-3.68,;5.3,-2.91,;3.97,-5.22,;5.51,-5.22,;-2.96,-5.4,;-2.96,-3.86,;-4.3,-3.09,;-5.63,-3.86,;-5.63,-5.4,;-4.3,-6.17,;-6.96,-6.17,;-8.3,-5.4,;-8.05,-7.26,;-6.57,-7.66,;4.5,-5.86,;5.84,-6.62,)| Show InChI InChI=1S/C24H25F3N4O2/c1-31-20(32)23(30-21(31)28)19-10-14(16-9-17(13-29-12-16)24(25,26)27)3-4-15(19)11-22(23)7-5-18(33-2)6-8-22/h3-4,9-10,12-13,18H,5-8,11H2,1-2H3,(H2,28,30)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2WH2NCD
					More data for this Ligand-Target Pair
Beta-secretase 1 (aa 1-458) (Homo sapiens (Human))	BDBM195125 (US10336717, Compound 185 | US9212153, 185,Ex. 146) Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cncc(c2)C(F)(F)F)CC1 |t:16,(10.04,-6.62,;8.71,-7.39,;7.37,-6.62,;6.29,-7.71,;4.95,-6.94,;3.41,-6.94,;2.5,-8.19,;1.04,-7.71,;-.3,-8.48,;-1.63,-7.71,;-1.63,-6.17,;-.3,-5.4,;1.04,-6.17,;2.5,-5.7,;1.6,-4.45,;2.5,-3.21,;1.73,-1.87,;3.97,-3.68,;5.3,-2.91,;3.97,-5.22,;5.51,-5.22,;-2.96,-5.4,;-2.96,-3.86,;-4.3,-3.09,;-5.63,-3.86,;-5.63,-5.4,;-4.3,-6.17,;-6.96,-6.17,;-8.3,-5.4,;-8.05,-7.26,;-6.57,-7.66,;4.5,-5.86,;5.84,-6.62,)| Show InChI InChI=1S/C24H25F3N4O2/c1-31-20(32)23(30-21(31)28)19-10-14(16-9-17(13-29-12-16)24(25,26)27)3-4-15(19)11-22(23)7-5-18(33-2)6-8-22/h3-4,9-10,12-13,18H,5-8,11H2,1-2H3,(H2,28,30)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	4.5	25
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH US Patent					Assay Description Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity using commercially available substrate HiLyte Fluor 488...				US Patent US9212153 (2015) BindingDB Entry DOI: 10.7270/Q2J67FRJ
					More data for this Ligand-Target Pair