BDBM195127 US10336717, Compound 187::US9212153, 187,Ex. 148

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

InChI Key: InChIKey=OBMDTPCNLIHYNL-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 = 195127   

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))	BDBM195127 (US10336717, Compound 187 | US9212153, 187,Ex. 148) Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cncc(Cl)c2)CC1 |t:16,(9.99,-7.21,;8.5,-7.61,;7.41,-6.52,;6.08,-7.29,;4.99,-6.21,;3.49,-5.83,;2.59,-7.08,;1.12,-6.6,;-.21,-7.37,;-1.55,-6.6,;-1.55,-5.06,;-.21,-4.29,;1.12,-5.06,;2.59,-4.59,;1.68,-3.34,;2.59,-2.09,;1.82,-.76,;4.05,-2.57,;5.38,-1.8,;4.05,-4.11,;5.59,-4.11,;-2.88,-4.29,;-2.88,-2.75,;-4.21,-1.98,;-5.55,-2.75,;-5.55,-4.29,;-6.88,-5.06,;-4.21,-5.06,;4.83,-5.06,;5.92,-6.21,)| Show InChI InChI=1S/C23H25ClN4O2/c1-28-20(29)23(27-21(28)25)19-10-14(16-9-17(24)13-26-12-16)3-4-15(19)11-22(23)7-5-18(30-2)6-8-22/h3-4,9-10,12-13,18H,5-8,11H2,1-2H3,(H2,25,27)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.60	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))	BDBM195127 (US10336717, Compound 187 | US9212153, 187,Ex. 148) Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cncc(Cl)c2)CC1 |t:16,(9.99,-7.21,;8.5,-7.61,;7.41,-6.52,;6.08,-7.29,;4.99,-6.21,;3.49,-5.83,;2.59,-7.08,;1.12,-6.6,;-.21,-7.37,;-1.55,-6.6,;-1.55,-5.06,;-.21,-4.29,;1.12,-5.06,;2.59,-4.59,;1.68,-3.34,;2.59,-2.09,;1.82,-.76,;4.05,-2.57,;5.38,-1.8,;4.05,-4.11,;5.59,-4.11,;-2.88,-4.29,;-2.88,-2.75,;-4.21,-1.98,;-5.55,-2.75,;-5.55,-4.29,;-6.88,-5.06,;-4.21,-5.06,;4.83,-5.06,;5.92,-6.21,)| Show InChI InChI=1S/C23H25ClN4O2/c1-28-20(29)23(27-21(28)25)19-10-14(16-9-17(24)13-26-12-16)3-4-15(19)11-22(23)7-5-18(30-2)6-8-22/h3-4,9-10,12-13,18H,5-8,11H2,1-2H3,(H2,25,27)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	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