BDBM113238 US10336717, Compound 16::US8633212, 16

SMILES: COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cc(Cl)cc(OC)c2)CC1

InChI Key: InChIKey=PMSJQUIABBSGQR-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 = 113238   

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))	BDBM113238 (US10336717, Compound 16 | US8633212, 16) Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cc(Cl)cc(OC)c2)CC1 |t:16,(9.1,-.55,;8.01,-1.64,;6.53,-1.24,;5.03,-1.61,;3.94,-2.7,;2.6,-1.93,;1.7,-3.17,;.23,-2.7,;-1.1,-3.47,;-2.43,-2.7,;-2.43,-1.16,;-1.1,-.38,;.23,-1.16,;1.7,-.68,;.23,-.2,;.23,1.34,;-1.1,2.11,;1.7,1.81,;2.47,3.15,;2.6,.57,;4.14,.57,;-3.77,-.39,;-3.77,1.15,;-5.1,1.93,;-5.1,3.47,;-6.43,1.15,;-6.43,-.39,;-7.77,-1.16,;-9.1,-.38,;-5.1,-1.16,;4.1,-1.61,;5.19,-.47,)| Show InChI InChI=1S/C25H28ClN3O3/c1-29-22(30)25(28-23(29)27)21-12-15(17-10-18(26)13-20(11-17)32-3)4-5-16(21)14-24(25)8-6-19(31-2)7-9-24/h4-5,10-13,19H,6-9,14H2,1-3H3,(H2,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	11.5	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 (BACE-I-457) (Homo sapiens (Human))	BDBM113238 (US10336717, Compound 16 | US8633212, 16) Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cc(Cl)cc(OC)c2)CC1 |t:16,(9.1,-.55,;8.01,-1.64,;6.53,-1.24,;5.03,-1.61,;3.94,-2.7,;2.6,-1.93,;1.7,-3.17,;.23,-2.7,;-1.1,-3.47,;-2.43,-2.7,;-2.43,-1.16,;-1.1,-.38,;.23,-1.16,;1.7,-.68,;.23,-.2,;.23,1.34,;-1.1,2.11,;1.7,1.81,;2.47,3.15,;2.6,.57,;4.14,.57,;-3.77,-.39,;-3.77,1.15,;-5.1,1.93,;-5.1,3.47,;-6.43,1.15,;-6.43,-.39,;-7.77,-1.16,;-9.1,-.38,;-5.1,-1.16,;4.1,-1.61,;5.19,-.47,)| Show InChI InChI=1S/C25H28ClN3O3/c1-29-22(30)25(28-23(29)27)21-12-15(17-10-18(26)13-20(11-17)32-3)4-5-16(21)14-24(25)8-6-19(31-2)7-9-24/h4-5,10-13,19H,6-9,14H2,1-3H3,(H2,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11.5	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. The assay was performed at room temperature in 96-well...				US Patent US8633212 (2014) BindingDB Entry DOI: 10.7270/Q2V123D3
					More data for this Ligand-Target Pair