BDBM116243 US10035794, Example 19::US10683287, Example 19::US8637508, 19

SMILES: C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(cc2N)C#N)n1

InChI Key: InChIKey=QLMSSDKIDFGJDT-ZWKOTPCHSA-N

Data: 7 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 7 hits for monomerid = 116243   

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))	BDBM116243 (US10035794, Example 19 | US10683287, Example 19 | ...) Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(cc2N)C#N)n1 |r,c:7| Show InChI InChI=1S/C19H18F3N7O2/c1-17(9-31-18(2,16(25)29-17)19(20,21)22)12-4-3-5-13(27-12)28-15(30)14-11(24)6-10(7-23)8-26-14/h3-6,8H,9,24H2,1-2H3,(H2,25,29)(H,27,28,30)/t17-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	43	n/a	n/a	n/a	n/a	4.5	25
Novartis AG US Patent					Assay Description Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...				US Patent US8637508 (2014) BindingDB Entry DOI: 10.7270/Q2JD4VFD
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM116243 (US10035794, Example 19 | US10683287, Example 19 | ...) Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(cc2N)C#N)n1 |r,c:7| Show InChI InChI=1S/C19H18F3N7O2/c1-17(9-31-18(2,16(25)29-17)19(20,21)22)12-4-3-5-13(27-12)28-15(30)14-11(24)6-10(7-23)8-26-14/h3-6,8H,9,24H2,1-2H3,(H2,25,29)(H,27,28,30)/t17-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	82	n/a	n/a	n/a	n/a	4.5	25
Novartis AG US Patent					Assay Description Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...				US Patent US8637508 (2014) BindingDB Entry DOI: 10.7270/Q2JD4VFD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM116243 (US10035794, Example 19 | US10683287, Example 19 | ...) Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(cc2N)C#N)n1 |r,c:7| Show InChI InChI=1S/C19H18F3N7O2/c1-17(9-31-18(2,16(25)29-17)19(20,21)22)12-4-3-5-13(27-12)28-15(30)14-11(24)6-10(7-23)8-26-14/h3-6,8H,9,24H2,1-2H3,(H2,25,29)(H,27,28,30)/t17-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	43	n/a	n/a	n/a	n/a	4.5	25
Novartis AG US Patent					Assay Description Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...				US Patent US10035794 (2018) BindingDB Entry DOI: 10.7270/Q2RB76M3
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM116243 (US10035794, Example 19 | US10683287, Example 19 | ...) Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(cc2N)C#N)n1 |r,c:7| Show InChI InChI=1S/C19H18F3N7O2/c1-17(9-31-18(2,16(25)29-17)19(20,21)22)12-4-3-5-13(27-12)28-15(30)14-11(24)6-10(7-23)8-26-14/h3-6,8H,9,24H2,1-2H3,(H2,25,29)(H,27,28,30)/t17-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...				US Patent US10683287 (2020)
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM116243 (US10035794, Example 19 | US10683287, Example 19 | ...) Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(cc2N)C#N)n1 |r,c:7| Show InChI InChI=1S/C19H18F3N7O2/c1-17(9-31-18(2,16(25)29-17)19(20,21)22)12-4-3-5-13(27-12)28-15(30)14-11(24)6-10(7-23)8-26-14/h3-6,8H,9,24H2,1-2H3,(H2,25,29)(H,27,28,30)/t17-,18+/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...				US Patent US10035794 (2018) BindingDB Entry DOI: 10.7270/Q2RB76M3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM116243 (US10035794, Example 19 | US10683287, Example 19 | ...) Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(cc2N)C#N)n1 |r,c:7| Show InChI InChI=1S/C19H18F3N7O2/c1-17(9-31-18(2,16(25)29-17)19(20,21)22)12-4-3-5-13(27-12)28-15(30)14-11(24)6-10(7-23)8-26-14/h3-6,8H,9,24H2,1-2H3,(H2,25,29)(H,27,28,30)/t17-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...				US Patent US10683287 (2020)
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM116243 (US10035794, Example 19 | US10683287, Example 19 | ...) Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(cc2N)C#N)n1 |r,c:7| Show InChI InChI=1S/C19H18F3N7O2/c1-17(9-31-18(2,16(25)29-17)19(20,21)22)12-4-3-5-13(27-12)28-15(30)14-11(24)6-10(7-23)8-26-14/h3-6,8H,9,24H2,1-2H3,(H2,25,29)(H,27,28,30)/t17-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	82	n/a	n/a	n/a	n/a	4.5	25
Novartis AG US Patent					Assay Description Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...				US Patent US10035794 (2018) BindingDB Entry DOI: 10.7270/Q2RB76M3
					More data for this Ligand-Target Pair