BDBM195093 US10336717, Compound 142::US9212153, 142,Ex. 107

SMILES: COC1CCC2(Cc3ccc(cc3C22N=C(N)N(Cc3ccccc3)C2=O)C#CC2CC2)CC1

InChI Key: InChIKey=OCJUCBYTOAXWSR-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 = 195093   

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))	BDBM195093 (US10336717, Compound 142 | US9212153, 142,Ex. 107) Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(N)N(Cc3ccccc3)C2=O)C#CC2CC2)CC1 |t:16,(6.47,-3.09,;5.14,-3.86,;3.8,-3.09,;2.72,-4.18,;1.38,-3.41,;-.16,-3.41,;-1.07,-4.66,;-2.53,-4.18,;-3.87,-4.95,;-5.2,-4.18,;-5.2,-2.64,;-3.87,-1.87,;-2.53,-2.64,;-1.07,-2.17,;-1.97,-.92,;-1.07,.32,;-1.47,1.81,;.4,-.15,;1.49,.94,;2.97,.54,;3.37,-.95,;4.86,-1.35,;5.95,-.26,;5.55,1.23,;4.06,1.63,;.4,-1.69,;1.88,-2.09,;-6.53,-1.87,;-7.87,-1.1,;-9.2,-.33,;-10.74,-.33,;-9.97,1,;.93,-2.33,;2.26,-3.09,)| Show InChI InChI=1S/C29H31N3O2/c1-34-24-13-15-28(16-14-24)18-23-12-11-21(10-9-20-7-8-20)17-25(23)29(28)26(33)32(27(30)31-29)19-22-5-3-2-4-6-22/h2-6,11-12,17,20,24H,7-8,13-16,18-19H2,1H3,(H2,30,31)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2	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))	BDBM195093 (US10336717, Compound 142 | US9212153, 142,Ex. 107) Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(N)N(Cc3ccccc3)C2=O)C#CC2CC2)CC1 |t:16,(6.47,-3.09,;5.14,-3.86,;3.8,-3.09,;2.72,-4.18,;1.38,-3.41,;-.16,-3.41,;-1.07,-4.66,;-2.53,-4.18,;-3.87,-4.95,;-5.2,-4.18,;-5.2,-2.64,;-3.87,-1.87,;-2.53,-2.64,;-1.07,-2.17,;-1.97,-.92,;-1.07,.32,;-1.47,1.81,;.4,-.15,;1.49,.94,;2.97,.54,;3.37,-.95,;4.86,-1.35,;5.95,-.26,;5.55,1.23,;4.06,1.63,;.4,-1.69,;1.88,-2.09,;-6.53,-1.87,;-7.87,-1.1,;-9.2,-.33,;-10.74,-.33,;-9.97,1,;.93,-2.33,;2.26,-3.09,)| Show InChI InChI=1S/C29H31N3O2/c1-34-24-13-15-28(16-14-24)18-23-12-11-21(10-9-20-7-8-20)17-25(23)29(28)26(33)32(27(30)31-29)19-22-5-3-2-4-6-22/h2-6,11-12,17,20,24H,7-8,13-16,18-19H2,1H3,(H2,30,31)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	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