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Patent code US8940748

Compile Data Set for Download or QSAR
Found 21 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 2


(Homo sapiens (Human))
BDBM143218
PNG
(US8940748, 34 | US9029362, 34 | US9687494, 34)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
Show InChI InChI=1S/C17H17ClFN5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1
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US Patent
0.220 -56.0n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 were determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


US Patent US8940748 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81MM
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM143227
PNG
(US8940748, 52 | US9029362, 52 | US9687494, 52)
Show SMILES CC#Cc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
Show InChI InChI=1S/C17H17ClN4O2S2/c1-4-5-11-6-12(9-20-8-11)14-7-13(18)15(25-14)17(2)10-26(23,24)22(3)16(19)21-17/h6-9H,10H2,1-3H3,(H2,19,21)/t17-/m0/s1
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US Patent
0.370 -54.7n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 were determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


US Patent US8940748 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81MM
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM47353
PNG
(BDBM143220 | US9029362, 173 | US9687494, 25)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
Show InChI InChI=1S/C17H17F2N5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1
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US Patent
0.370 -54.7n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 were determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


US Patent US8940748 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81MM
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM143223
PNG
(US8940748, 35 | US9029362, 35 | US9687494, 35)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(C)cn2)ccc1F |r|
Show InChI InChI=1S/C18H20FN5O3S/c1-11-4-7-15(21-9-11)16(25)22-12-5-6-14(19)13(8-12)18(2)10-28(26,27)24(3)17(20)23-18/h4-9H,10H2,1-3H3,(H2,20,23)(H,22,25)/t18-/m0/s1
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US Patent
0.450 -54.2n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 were determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


US Patent US8940748 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81MM
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM143224
PNG
(US8940748, 173 | US9687494, 173)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1c(F)ccc(NC(=O)c2ccc(F)cn2)c1F |r|
Show InChI InChI=1S/C17H16F3N5O3S/c1-17(8-29(27,28)25(2)16(21)24-17)13-10(19)4-6-11(14(13)20)23-15(26)12-5-3-9(18)7-22-12/h3-7H,8H2,1-2H3,(H2,21,24)(H,23,26)/t17-/m0/s1
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US Patent
0.470 -54.1n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 were determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


US Patent US8940748 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81MM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM143218
PNG
(US8940748, 34 | US9029362, 34 | US9687494, 34)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
Show InChI InChI=1S/C17H17ClFN5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1
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US Patent
0.949n/an/an/an/an/an/a5.01n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The protocol that was used to determine the recited values isdescribed as follows.BACE1 HTRF FRET AssayReagentsNa+-Acetate pH 5.01% Brij-35GlycerolDi...


US Patent US8940748 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81MM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM143222
PNG
(US8940748, 40di | US9029362, 40di | US9687494, 40d...)
Show SMILES COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
Show InChI InChI=1S/C17H18F2N6O4S/c1-17(8-30(27,28)25(2)16(20)24-17)10-4-9(5-11(18)14(10)19)23-15(26)12-6-22-13(29-3)7-21-12/h4-7H,8H2,1-3H3,(H2,20,24)(H,23,26)/t17-/m0/s1
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US Patent
1.05n/an/an/an/an/an/a5.01n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The protocol that was used to determine the recited values isdescribed as follows.BACE1 HTRF FRET AssayReagentsNa+-Acetate pH 5.01% Brij-35GlycerolDi...


US Patent US8940748 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81MM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM143219
PNG
(US8940748, 26 | US9029362, 26 | US9687494, 26)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r|
Show InChI InChI=1S/C18H17F4N5O3S/c1-17(9-31(29,30)27(2)16(23)26-17)12-7-11(4-5-13(12)19)25-15(28)14-6-3-10(8-24-14)18(20,21)22/h3-8H,9H2,1-2H3,(H2,23,26)(H,25,28)/t17-/m0/s1
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US Patent
1.26n/an/an/an/an/an/a5.01n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The protocol that was used to determine the recited values isdescribed as follows.BACE1 HTRF FRET AssayReagentsNa+-Acetate pH 5.01% Brij-35GlycerolDi...


US Patent US8940748 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81MM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM143228
PNG
(US8940748, 40ai | US9029362, 40ai | US9687494, 40a...)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
Show InChI InChI=1S/C17H19FN6O4S/c1-17(9-29(26,27)24(2)16(19)23-17)11-6-10(4-5-12(11)18)22-15(25)13-7-21-14(28-3)8-20-13/h4-8H,9H2,1-3H3,(H2,19,23)(H,22,25)/t17-/m0/s1
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US Patent
1.64n/an/an/an/an/an/a5.01n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The protocol that was used to determine the recited values isdescribed as follows.BACE1 HTRF FRET AssayReagentsNa+-Acetate pH 5.01% Brij-35GlycerolDi...


US Patent US8940748 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81MM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM47353
PNG
(BDBM143220 | US9029362, 173 | US9687494, 25)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
Show InChI InChI=1S/C17H17F2N5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1
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US Patent
1.75n/an/an/an/an/an/a5.01n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The protocol that was used to determine the recited values isdescribed as follows.BACE1 HTRF FRET AssayReagentsNa+-Acetate pH 5.01% Brij-35GlycerolDi...


US Patent US8940748 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81MM
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM143228
PNG
(US8940748, 40ai | US9029362, 40ai | US9687494, 40a...)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
Show InChI InChI=1S/C17H19FN6O4S/c1-17(9-29(26,27)24(2)16(19)23-17)11-6-10(4-5-12(11)18)22-15(25)13-7-21-14(28-3)8-20-13/h4-8H,9H2,1-3H3,(H2,19,23)(H,22,25)/t17-/m0/s1
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US Patent
1.99 -50.5n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 were determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


US Patent US8940748 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81MM
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM143222
PNG
(US8940748, 40di | US9029362, 40di | US9687494, 40d...)
Show SMILES COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
Show InChI InChI=1S/C17H18F2N6O4S/c1-17(8-30(27,28)25(2)16(20)24-17)10-4-9(5-11(18)14(10)19)23-15(26)12-6-22-13(29-3)7-21-12/h4-7H,8H2,1-3H3,(H2,20,24)(H,23,26)/t17-/m0/s1
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US Patent
2.15 -50.3n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 were determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


US Patent US8940748 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81MM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM143227
PNG
(US8940748, 52 | US9029362, 52 | US9687494, 52)
Show SMILES CC#Cc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
Show InChI InChI=1S/C17H17ClN4O2S2/c1-4-5-11-6-12(9-20-8-11)14-7-13(18)15(25-14)17(2)10-26(23,24)22(3)16(19)21-17/h6-9H,10H2,1-3H3,(H2,19,21)/t17-/m0/s1
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US Patent
2.39n/an/an/an/an/an/a5.01n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The protocol that was used to determine the recited values isdescribed as follows.BACE1 HTRF FRET AssayReagentsNa+-Acetate pH 5.01% Brij-35GlycerolDi...


US Patent US8940748 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81MM
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM143219
PNG
(US8940748, 26 | US9029362, 26 | US9687494, 26)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r|
Show InChI InChI=1S/C18H17F4N5O3S/c1-17(9-31(29,30)27(2)16(23)26-17)12-7-11(4-5-13(12)19)25-15(28)14-6-3-10(8-24-14)18(20,21)22/h3-8H,9H2,1-2H3,(H2,23,26)(H,25,28)/t17-/m0/s1
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US Patent
2.46 -50.0n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 were determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


US Patent US8940748 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81MM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM143223
PNG
(US8940748, 35 | US9029362, 35 | US9687494, 35)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(C)cn2)ccc1F |r|
Show InChI InChI=1S/C18H20FN5O3S/c1-11-4-7-15(21-9-11)16(25)22-12-5-6-14(19)13(8-12)18(2)10-28(26,27)24(3)17(20)23-18/h4-9H,10H2,1-3H3,(H2,20,23)(H,22,25)/t18-/m0/s1
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US Patent
3n/an/an/an/an/an/a5.01n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The protocol that was used to determine the recited values isdescribed as follows.BACE1 HTRF FRET AssayReagentsNa+-Acetate pH 5.01% Brij-35GlycerolDi...


US Patent US8940748 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81MM
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM143221
PNG
(US8940748, 36 | US9029362, 36 | US9687494, 36)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2cnc(C)cn2)ccc1F |r|
Show InChI InChI=1S/C17H19FN6O3S/c1-10-7-21-14(8-20-10)15(25)22-11-4-5-13(18)12(6-11)17(2)9-28(26,27)24(3)16(19)23-17/h4-8H,9H2,1-3H3,(H2,19,23)(H,22,25)/t17-/m0/s1
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US Patent
4.85 -48.3n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 were determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


US Patent US8940748 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81MM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM143224
PNG
(US8940748, 173 | US9687494, 173)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1c(F)ccc(NC(=O)c2ccc(F)cn2)c1F |r|
Show InChI InChI=1S/C17H16F3N5O3S/c1-17(8-29(27,28)25(2)16(21)24-17)13-10(19)4-6-11(14(13)20)23-15(26)12-5-3-9(18)7-22-12/h3-7H,8H2,1-2H3,(H2,21,24)(H,23,26)/t17-/m0/s1
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US Patent
4.88n/an/an/an/an/an/a5.01n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The protocol that was used to determine the recited values isdescribed as follows.BACE1 HTRF FRET AssayReagentsNa+-Acetate pH 5.01% Brij-35GlycerolDi...


US Patent US8940748 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81MM
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM143226
PNG
(US8940748, 46 | US9029362, 46 | US9687494, 46)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(cs1)-c1ccc(F)c(c1)C#N |r|
Show InChI InChI=1S/C16H15FN4O2S2/c1-16(9-25(22,23)21(2)15(19)20-16)14-6-12(8-24-14)10-3-4-13(17)11(5-10)7-18/h3-6,8H,9H2,1-2H3,(H2,19,20)/t16-/m0/s1
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US Patent
8.23 -46.9n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 were determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


US Patent US8940748 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81MM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM143221
PNG
(US8940748, 36 | US9029362, 36 | US9687494, 36)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2cnc(C)cn2)ccc1F |r|
Show InChI InChI=1S/C17H19FN6O3S/c1-10-7-21-14(8-20-10)15(25)22-11-4-5-13(18)12(6-11)17(2)9-28(26,27)24(3)16(19)23-17/h4-8H,9H2,1-3H3,(H2,19,23)(H,22,25)/t17-/m0/s1
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US Patent
10n/an/an/an/an/an/a5.01n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The protocol that was used to determine the recited values isdescribed as follows.BACE1 HTRF FRET AssayReagentsNa+-Acetate pH 5.01% Brij-35GlycerolDi...


US Patent US8940748 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81MM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM143225
PNG
(US8940748, 45 | US9029362, 45 | US9687494, 45)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(cs1)-c1cccc(c1)C#N |r|
Show InChI InChI=1S/C16H16N4O2S2/c1-16(10-24(21,22)20(2)15(18)19-16)14-7-13(9-23-14)12-5-3-4-11(6-12)8-17/h3-7,9H,10H2,1-2H3,(H2,18,19)/t16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
25.6n/an/an/an/an/an/a5.01n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The protocol that was used to determine the recited values isdescribed as follows.BACE1 HTRF FRET AssayReagentsNa+-Acetate pH 5.01% Brij-35GlycerolDi...


US Patent US8940748 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81MM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM143226
PNG
(US8940748, 46 | US9029362, 46 | US9687494, 46)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(cs1)-c1ccc(F)c(c1)C#N |r|
Show InChI InChI=1S/C16H15FN4O2S2/c1-16(9-25(22,23)21(2)15(19)20-16)14-6-12(8-24-14)10-3-4-13(17)11(5-10)7-18/h3-6,8H,9H2,1-2H3,(H2,19,20)/t16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
46n/an/an/an/an/an/a5.01n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The protocol that was used to determine the recited values isdescribed as follows.BACE1 HTRF FRET AssayReagentsNa+-Acetate pH 5.01% Brij-35GlycerolDi...


US Patent US8940748 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81MM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%