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Patent code US9029367

Compile Data Set for Download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))
BDBM158179
PNG
(US9029367, 3)
Show SMILES NC1=N[C@]2(COC[C@@]2(F)CS1)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F |r,t:1|
Show InChI InChI=1S/C19H15F2N5O2S/c1-23-12-3-5-15(24-7-12)16(27)25-11-2-4-14(20)13(6-11)19-9-28-8-18(19,21)10-29-17(22)26-19/h2-7H,8-10H2,(H2,22,26)(H,25,27)/t18-,19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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UniChem

Similars

US Patent
n/an/a 6.66n/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 US9029367 (2015)


BindingDB Entry DOI: 10.7270/Q21Z4344
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM158178
PNG
(US9029367, 2)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@@]1(F)CSC(N)=N2 |r,c:30|
Show InChI InChI=1S/C18H17F2N5O3S/c1-27-14-6-22-13(5-23-14)15(26)24-10-2-3-12(19)11(4-10)18-8-28-7-17(18,20)9-29-16(21)25-18/h2-6H,7-9H2,1H3,(H2,21,25)(H,24,26)/t17-,18-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 13.2n/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 US9029367 (2015)


BindingDB Entry DOI: 10.7270/Q21Z4344
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM158177
PNG
(US9029367, 1)
Show SMILES NC1=N[C@]2(COC[C@@]2(F)CS1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,t:1|
Show InChI InChI=1S/C18H15F3N4O2S/c19-10-1-4-14(23-6-10)15(26)24-11-2-3-13(20)12(5-11)18-8-27-7-17(18,21)9-28-16(22)25-18/h1-6H,7-9H2,(H2,22,25)(H,24,26)/t17-,18-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 15.6n/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 US9029367 (2015)


BindingDB Entry DOI: 10.7270/Q21Z4344
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM158181
PNG
(US9029367, 57)
Show SMILES NC1=N[C@]2(COC[C@@]2(F)CO1)c1cc(NC(=O)c2cnc(OCC3(F)CC3)cn2)ccc1F |r,t:1|
Show InChI InChI=1S/C21H20F3N5O4/c22-14-2-1-12(5-13(14)21-11-31-9-20(21,24)10-33-18(25)29-21)28-17(30)15-6-27-16(7-26-15)32-8-19(23)3-4-19/h1-2,5-7H,3-4,8-11H2,(H2,25,29)(H,28,30)/t20-,21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 25.7n/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 US9029367 (2015)


BindingDB Entry DOI: 10.7270/Q21Z4344
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM158180
PNG
(US9029367, 34)
Show SMILES NC1=N[C@]2(COC[C@@]2(F)CO1)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F |r,t:1|
Show InChI InChI=1S/C19H15F2N5O3/c1-23-12-3-5-15(24-7-12)16(27)25-11-2-4-14(20)13(6-11)19-10-28-8-18(19,21)9-29-17(22)26-19/h2-7H,8-10H2,(H2,22,26)(H,25,27)/t18-,19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 45n/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 US9029367 (2015)


BindingDB Entry DOI: 10.7270/Q21Z4344
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%