BDBM195392 US10336717, Compound 478::US9212153, 478,Ex. 409

SMILES: COC1CCC2(Cc3ccc(cc3[C@]22N=C(N)N(C)C2=O)C#CC2CC2)CC1

InChI Key: InChIKey=USHFPDQMSUANTM-UWFXLKAESA-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 = 195392   

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))	BDBM195392 (US10336717, Compound 478 | US9212153, 478,Ex. 409) Show SMILES COC1CCC2(Cc3ccc(cc3[C@]22N=C(N)N(C)C2=O)C#CC2CC2)CC1 |r,wD:13.15,t:16,(9.57,-18.81,;8.23,-18.06,;8.2,-16.52,;6.71,-16.92,;5.94,-15.59,;4.59,-14.85,;3.69,-16.09,;2.22,-15.62,;.89,-16.39,;-.45,-15.62,;-.45,-14.08,;.89,-13.31,;2.22,-14.08,;3.69,-13.6,;2.44,-12.69,;2.92,-11.23,;2.15,-9.9,;4.46,-11.23,;5.23,-9.9,;4.93,-12.69,;6.27,-13.46,;-1.78,-13.31,;-3.11,-12.54,;-4.45,-11.77,;-5.22,-10.43,;-5.99,-11.77,;6.08,-14.45,;6.86,-15.78,)| Show InChI InChI=1S/C23H27N3O2/c1-26-20(27)23(25-21(26)24)19-13-16(6-5-15-3-4-15)7-8-17(19)14-22(23)11-9-18(28-2)10-12-22/h7-8,13,15,18H,3-4,9-12,14H2,1-2H3,(H2,24,25)/t18?,22?,23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.20	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))	BDBM195392 (US10336717, Compound 478 | US9212153, 478,Ex. 409) Show SMILES COC1CCC2(Cc3ccc(cc3[C@]22N=C(N)N(C)C2=O)C#CC2CC2)CC1 |r,wD:13.15,t:16,(9.57,-18.81,;8.23,-18.06,;8.2,-16.52,;6.71,-16.92,;5.94,-15.59,;4.59,-14.85,;3.69,-16.09,;2.22,-15.62,;.89,-16.39,;-.45,-15.62,;-.45,-14.08,;.89,-13.31,;2.22,-14.08,;3.69,-13.6,;2.44,-12.69,;2.92,-11.23,;2.15,-9.9,;4.46,-11.23,;5.23,-9.9,;4.93,-12.69,;6.27,-13.46,;-1.78,-13.31,;-3.11,-12.54,;-4.45,-11.77,;-5.22,-10.43,;-5.99,-11.77,;6.08,-14.45,;6.86,-15.78,)| Show InChI InChI=1S/C23H27N3O2/c1-26-20(27)23(25-21(26)24)19-13-16(6-5-15-3-4-15)7-8-17(19)14-22(23)11-9-18(28-2)10-12-22/h7-8,13,15,18H,3-4,9-12,14H2,1-2H3,(H2,24,25)/t18?,22?,23-/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	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