BDBM195529 US10336717, Compound 397::US9212153, 397,Ex. 336

SMILES: CN1C(N)=N[C@@]2(C1=O)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccnc1F

InChI Key: InChIKey=DAWZTCXCSMUINX-HHHXNRCGSA-N

Data: 4 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 4 hits for monomerid = 195529   

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 (aa 1-458) (Homo sapiens (Human))	BDBM195529 (US10336717, Compound 397 | US9212153, 397,Ex. 336) Show SMILES CN1C(N)=N[C@@]2(C1=O)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccnc1F |r,c:3| Show InChI InChI=1S/C27H25FN4O/c1-32-24(33)27(31-25(32)29)22-15-19(21-7-4-14-30-23(21)28)8-9-20(22)16-26(27)12-10-17-5-2-3-6-18(17)11-13-26/h2-9,14-15H,10-13,16H2,1H3,(H2,29,31)/t27-/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	4.4	n/a
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH US Patent					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...				US Patent US9212153 (2015) BindingDB Entry DOI: 10.7270/Q2J67FRJ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM195529 (US10336717, Compound 397 | US9212153, 397,Ex. 336) Show SMILES CN1C(N)=N[C@@]2(C1=O)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccnc1F |r,c:3| Show InChI InChI=1S/C27H25FN4O/c1-32-24(33)27(31-25(32)29)22-15-19(21-7-4-14-30-23(21)28)8-9-20(22)16-26(27)12-10-17-5-2-3-6-18(17)11-13-26/h2-9,14-15H,10-13,16H2,1H3,(H2,29,31)/t27-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.40	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 (Homo sapiens (Human))	BDBM195529 (US10336717, Compound 397 | US9212153, 397,Ex. 336) Show SMILES CN1C(N)=N[C@@]2(C1=O)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccnc1F |r,c:3| Show InChI InChI=1S/C27H25FN4O/c1-32-24(33)27(31-25(32)29)22-15-19(21-7-4-14-30-23(21)28)8-9-20(22)16-26(27)12-10-17-5-2-3-6-18(17)11-13-26/h2-9,14-15H,10-13,16H2,1H3,(H2,29,31)/t27-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	213	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 (Homo sapiens (Human))	BDBM195529 (US10336717, Compound 397 | US9212153, 397,Ex. 336) Show SMILES CN1C(N)=N[C@@]2(C1=O)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccnc1F |r,c:3| Show InChI InChI=1S/C27H25FN4O/c1-32-24(33)27(31-25(32)29)22-15-19(21-7-4-14-30-23(21)28)8-9-20(22)16-26(27)12-10-17-5-2-3-6-18(17)11-13-26/h2-9,14-15H,10-13,16H2,1H3,(H2,29,31)/t27-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	6.70	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