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Patent code US8772282

Compile Data Set for Download or QSAR
Found 6 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))
BDBM126005
PNG
(US8772282, 1 | US8772282, 203)
Show SMILES Cl.NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1ccccc1 |r,t:1|
Show InChI InChI=1S/C16H16FN5S.ClH/c17-13-6-19-15(20-7-13)22-8-12-9-23-14(18)21-16(12,10-22)11-4-2-1-3-5-11;/h1-7,12H,8-10H2,(H2,18,21);1H/t12-,16+;/m0./s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 64.4n/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 μL of each dilution ...


US Patent US8772282 (2014)


BindingDB Entry DOI: 10.7270/Q2JH3JVQ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM126007
PNG
(US8772282, 16)
Show SMILES CI.NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cccs1 |r,t:2|
Show InChI InChI=1S/C14H14FN5S2.CH3I/c15-10-4-17-13(18-5-10)20-6-9-7-22-12(16)19-14(9,8-20)11-2-1-3-21-11;1-2/h1-5,9H,6-8H2,(H2,16,19);1H3/t9-,14-;/m0./s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 77.3n/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 μL of each dilution ...


US Patent US8772282 (2014)


BindingDB Entry DOI: 10.7270/Q2JH3JVQ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM126012
PNG
(US8772282, 32)
Show SMILES Cl.NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1ccc(F)s1 |r,t:1|
Show InChI InChI=1S/C14H13F2N5S2.ClH/c15-9-3-18-13(19-4-9)21-5-8-6-22-12(17)20-14(8,7-21)10-1-2-11(16)23-10;/h1-4,8H,5-7H2,(H2,17,20);1H/t8-,14-;/m0./s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 91.2n/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 μL of each dilution ...


US Patent US8772282 (2014)


BindingDB Entry DOI: 10.7270/Q2JH3JVQ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM126011
PNG
(US8772282, 31)
Show SMILES Cl.NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1ccc(s1)C#N |r,t:1|
Show InChI InChI=1S/C15H13FN6S2.ClH/c16-10-4-19-14(20-5-10)22-6-9-7-23-13(18)21-15(9,8-22)12-2-1-11(3-17)24-12;/h1-2,4-5,9H,6-8H2,(H2,18,21);1H/t9-,15-;/m0./s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 110n/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 μL of each dilution ...


US Patent US8772282 (2014)


BindingDB Entry DOI: 10.7270/Q2JH3JVQ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM126010
PNG
(US8772282, 30)
Show SMILES Cl.NC1=N[C@]2(CN(C[C@H]2CS1)c1ncccn1)c1ccc(F)s1 |r,t:1|
Show InChI InChI=1S/C14H14FN5S2.ClH/c15-11-3-2-10(22-11)14-8-20(13-17-4-1-5-18-13)6-9(14)7-21-12(16)19-14;/h1-5,9H,6-8H2,(H2,16,19);1H/t9-,14-;/m0./s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 166n/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 μL of each dilution ...


US Patent US8772282 (2014)


BindingDB Entry DOI: 10.7270/Q2JH3JVQ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM126009
PNG
(US8772282, 23)
Show SMILES Cl.NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1ccns1 |r,t:1|
Show InChI InChI=1S/C13H13FN6S2.ClH/c14-9-3-16-12(17-4-9)20-5-8-6-21-11(15)19-13(8,7-20)10-1-2-18-22-10;/h1-4,8H,5-7H2,(H2,15,19);1H/t8-,13-;/m0./s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 172n/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 μL of each dilution ...


US Patent US8772282 (2014)


BindingDB Entry DOI: 10.7270/Q2JH3JVQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%