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6 similar compounds to monomer 150693

Compile data set for download or QSAR
Wt: 485.4
BDBM150691
Wt: 492.5
BDBM150692
Wt: 467.4
BDBM150686
Wt: 485.4
BDBM150688
Wt: 498.5
BDBM150689
Wt: 474.5
BDBM150690

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 150691,150692,150686,150688,150689,150690   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))
BDBM150686
PNG
(US8987254, 1 | US9999624, 1)
Show SMILES NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cccc(NC(=O)c2ccc(F)cn2)c1
Show InChI InChI=1S/C22H19F2N7OS/c23-15-4-5-18(26-7-15)19(32)29-17-3-1-2-13(6-17)22-12-31(21-27-8-16(24)9-28-21)10-14(22)11-33-20(25)30-22/h1-9,14H,10-12H2,(H2,25,30)(H,29,32)/t14-,22+/m0/s1
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US Patent
n/an/a 0.610n/an/an/an/a4.625



Eli Lilly and Company

US Patent


Assay Description
Serial dilutions of test compounds are prepared as described above. Compounds are further diluted 20x in KH2PO4 buffer. Ten uL of each dilution is ad...


US Patent US8987254 (2015)


BindingDB Entry DOI: 10.7270/Q2FX786M
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM150688
PNG
(US8987254, 3 | US9999624, 3)
Show SMILES NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C22H18F3N7OS/c23-13-1-4-18(27-6-13)19(33)30-15-2-3-17(25)16(5-15)22-11-32(21-28-7-14(24)8-29-21)9-12(22)10-34-20(26)31-22/h1-8,12H,9-11H2,(H2,26,31)(H,30,33)/t12-,22-/m0/s1
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US Patent
n/an/a 0.554n/an/an/an/a4.625



Eli Lilly and Company

US Patent


Assay Description
Serial dilutions of test compounds are prepared as described above. Compounds are further diluted 20x in KH2PO4 buffer. Ten uL of each dilution is ad...


US Patent US8987254 (2015)


BindingDB Entry DOI: 10.7270/Q2FX786M
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM150689
PNG
(US8987254, 4)
Show SMILES NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cc(NC(=O)c2cnc(CO)cn2)ccc1F
Show InChI InChI=1S/C22H20F2N8O2S/c23-13-4-28-21(29-5-13)32-8-12-10-35-20(25)31-22(12,11-32)16-3-14(1-2-17(16)24)30-19(34)18-7-26-15(9-33)6-27-18/h1-7,12,33H,8-11H2,(H2,25,31)(H,30,34)/t12-,22-/m0/s1
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US Patent
n/an/a 0.569n/an/an/an/a4.625



Eli Lilly and Company

US Patent


Assay Description
Serial dilutions of test compounds are prepared as described above. Compounds are further diluted 20x in KH2PO4 buffer. Ten uL of each dilution is ad...


US Patent US8987254 (2015)


BindingDB Entry DOI: 10.7270/Q2FX786M
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM150690
PNG
(US8987254, 5)
Show SMILES NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cccc(NC(=O)c2ccc(cn2)[N+]#[C-])c1
Show InChI InChI=1S/C23H19FN8OS/c1-26-18-5-6-19(27-10-18)20(33)30-17-4-2-3-14(7-17)23-13-32(22-28-8-16(24)9-29-22)11-15(23)12-34-21(25)31-23/h2-10,15H,11-13H2,(H2,25,31)(H,30,33)/t15-,23+/m0/s1
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US Patent
n/an/a 0.450n/an/an/an/a4.625



Eli Lilly and Company

US Patent


Assay Description
Serial dilutions of test compounds are prepared as described above. Compounds are further diluted 20x in KH2PO4 buffer. Ten uL of each dilution is ad...


US Patent US8987254 (2015)


BindingDB Entry DOI: 10.7270/Q2FX786M
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM150691
PNG
(US8987254, 6 | US9999624, 7)
Show SMILES NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cccc(NC(=O)c2ncc(F)cc2F)c1
Show InChI InChI=1S/C22H18F3N7OS/c23-14-5-17(25)18(27-6-14)19(33)30-16-3-1-2-12(4-16)22-11-32(21-28-7-15(24)8-29-21)9-13(22)10-34-20(26)31-22/h1-8,13H,9-11H2,(H2,26,31)(H,30,33)/t13-,22+/m0/s1
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US Patent
n/an/a 0.739n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Serial dilutions of test compounds are prepared as described above. Compounds are further diluted 20 in KH2PO4 buffer. Ten μL of each dilution ...


US Patent US9999624 (2018)


BindingDB Entry DOI: 10.7270/Q27H1MZB
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM150692
PNG
(US8987254, 7)
Show SMILES NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F
Show InChI InChI=1S/C23H18F2N8OS/c1-27-16-3-5-19(28-9-16)20(34)31-15-2-4-18(25)17(6-15)23-12-33(22-29-7-14(24)8-30-22)10-13(23)11-35-21(26)32-23/h2-9,13H,10-12H2,(H2,26,32)(H,31,34)/t13-,23-/m0/s1
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US Patent
n/an/a 0.358n/an/an/an/a4.625



Eli Lilly and Company

US Patent


Assay Description
Serial dilutions of test compounds are prepared as described above. Compounds are further diluted 20x in KH2PO4 buffer. Ten uL of each dilution is ad...


US Patent US8987254 (2015)


BindingDB Entry DOI: 10.7270/Q2FX786M
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM150686
PNG
(US8987254, 1 | US9999624, 1)
Show SMILES NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cccc(NC(=O)c2ccc(F)cn2)c1
Show InChI InChI=1S/C22H19F2N7OS/c23-15-4-5-18(26-7-15)19(32)29-17-3-1-2-13(6-17)22-12-31(21-27-8-16(24)9-28-21)10-14(22)11-33-20(25)30-22/h1-9,14H,10-12H2,(H2,25,30)(H,29,32)/t14-,22+/m0/s1
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n/an/a 0.610n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Serial dilutions of test compounds are prepared as described above. Compounds are further diluted 20 in KH2PO4 buffer. Ten μL of each dilution ...


US Patent US9999624 (2018)


BindingDB Entry DOI: 10.7270/Q27H1MZB
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM150688
PNG
(US8987254, 3 | US9999624, 3)
Show SMILES NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C22H18F3N7OS/c23-13-1-4-18(27-6-13)19(33)30-15-2-3-17(25)16(5-15)22-11-32(21-28-7-14(24)8-29-21)9-12(22)10-34-20(26)31-22/h1-8,12H,9-11H2,(H2,26,31)(H,30,33)/t12-,22-/m0/s1
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US Patent
n/an/a 0.603n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Serial dilutions of test compounds are prepared as described above. Compounds are further diluted 20 in KH2PO4 buffer. Ten μL of each dilution ...


US Patent US9999624 (2018)


BindingDB Entry DOI: 10.7270/Q27H1MZB
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM150691
PNG
(US8987254, 6 | US9999624, 7)
Show SMILES NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cccc(NC(=O)c2ncc(F)cc2F)c1
Show InChI InChI=1S/C22H18F3N7OS/c23-14-5-17(25)18(27-6-14)19(33)30-16-3-1-2-12(4-16)22-11-32(21-28-7-15(24)8-29-21)9-13(22)10-34-20(26)31-22/h1-8,13H,9-11H2,(H2,26,31)(H,30,33)/t13-,22+/m0/s1
PDB
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US Patent
n/an/a 0.739n/an/an/an/a4.625



Eli Lilly and Company

US Patent


Assay Description
Serial dilutions of test compounds are prepared as described above. Compounds are further diluted 20x in KH2PO4 buffer. Ten uL of each dilution is ad...


US Patent US8987254 (2015)


BindingDB Entry DOI: 10.7270/Q2FX786M
More data for this
Ligand-Target Pair