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Compile Data Set for Download or QSAR

Found 39 hits of ki for UniProtKB: P0DPI1   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506811
PNG
(US11046652, Example 1-5)
Show SMILES CCCn1nccc1[C@@H](Cc1ccc(Cl)cc1)[C@@H](CC(=O)NO)OC |r|
PDB

UniProtKB/SwissProt

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3.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506825
PNG
(US11046652, Example 2-4)
Show SMILES CO[C@H](CC(=O)NO)[C@H](Cc1ccc(F)cc1C)c1ccnn1C(C)C |r|
PDB

UniProtKB/SwissProt

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4.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506834
PNG
(US11046652, Example 3-7)
Show SMILES CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C1CCOCC1 |r|
PDB

UniProtKB/SwissProt

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5.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506829
PNG
(US11046652, Example 3-2)
Show SMILES CO[C@H](CC(=O)NO)[C@H](Cc1ccc(F)cc1C)c1ccnn1C1CC1 |r|
PDB

UniProtKB/SwissProt

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5.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506835
PNG
(US11046652, Example 3-8)
Show SMILES CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C1CCN(C)CC1 |r|
PDB

UniProtKB/SwissProt

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5.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506807
PNG
(US11046652, Example 1-1 | US11046652, Example 2-1)
Show SMILES CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C(C)C |r|
PDB

UniProtKB/SwissProt

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5.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506807
PNG
(US11046652, Example 1-1 | US11046652, Example 2-1)
Show SMILES CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C(C)C |r|
PDB

UniProtKB/SwissProt

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6.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506813
PNG
(US11046652, Example 1-7)
Show SMILES CCCCn1nccc1[C@@H](Cc1ccc(Cl)cc1)[C@@H](CC(=O)NO)OC |r|
PDB

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6.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506808
PNG
(US11046652, Example 1-2 | US11046652, Example 1-3)
Show SMILES CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C |r|
PDB

UniProtKB/SwissProt

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6.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506832
PNG
(US11046652, Example 3-5)
Show SMILES CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C1CC1 |r|
PDB

UniProtKB/SwissProt

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6.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506841
PNG
(US11046652, Example 5-1)
Show SMILES CC(C)n1nccc1[C@@H](Cc1ccc(Cl)cc1)[C@@H](CC(=O)NO)OCCCO |r|
PDB

UniProtKB/SwissProt

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7.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506815
PNG
(US11046652, Example 1-9)
Show SMILES CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1CCCO |r|
PDB

UniProtKB/SwissProt

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8.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506833
PNG
(US11046652, Example 3-6)
Show SMILES CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C1CCC1 |r|
PDB

UniProtKB/SwissProt

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9.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506828
PNG
(US11046652, Example 3-1)
Show SMILES CO[C@H](CC(=O)NO)[C@H](Cc1ccc(F)cc1C)c1ccnn1C |r|
PDB

UniProtKB/SwissProt

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10.2n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506810
PNG
(US11046652, Example 1-4)
Show SMILES CCn1nccc1[C@@H](Cc1ccc(Cl)cc1)[C@@H](CC(=O)NO)OC |r|
PDB

UniProtKB/SwissProt

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13.8n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506814
PNG
(US11046652, Example 1-8)
Show SMILES COCCn1nccc1[C@@H](Cc1ccc(Cl)cc1)[C@@H](CC(=O)NO)OC |r|
PDB

UniProtKB/SwissProt

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14.7n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506821
PNG
(US11046652, Example 1-15)
Show SMILES CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1Cc1ccccc1 |r|
PDB

UniProtKB/SwissProt

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17.8n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506812
PNG
(US11046652, Example 1-6)
Show SMILES CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1CCO |r|
PDB

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18n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506819
PNG
(US11046652, Example 1-13)
Show SMILES CNCCCCn1nccc1[C@@H](Cc1ccc(Cl)cc1)[C@@H](CC(=O)NO)OC |r|
PDB

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19n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506820
PNG
(US11046652, Example 1-14)
Show SMILES CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1CCCCNCc1ccc(F)cc1 |r|
PDB

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20.4n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506808
PNG
(US11046652, Example 1-2 | US11046652, Example 1-3)
Show SMILES CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C |r|
PDB

UniProtKB/SwissProt

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21.3n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506823
PNG
(US11046652, Example 2-2)
Show SMILES CCO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C(C)C |r|
PDB

UniProtKB/SwissProt

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24.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506824
PNG
(US11046652, Example 2-3)
Show SMILES CO[C@H](CC(=O)NO)[C@H](Cc1ccc(F)cc1)c1ccnn1C(C)C |r|
PDB

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26n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506818
PNG
(US11046652, Example 1-12)
Show SMILES CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1CCCCCN(C)C |r|
PDB

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28n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506837
PNG
(US11046652, Example 3-10 | US11046652, Example 3-1...)
Show SMILES CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1-c1ccccc1 |r|
PDB

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30.6n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506836
PNG
(US11046652, Example 3-9)
Show SMILES COCC(COC)n1nccc1[C@@H](Cc1ccc(Cl)cc1)[C@@H](CC(=O)NO)OC |r|
PDB

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31.7n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506840
PNG
(US11046652, Example 4-2)
Show SMILES CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccn(n1)C(C)C |r|
PDB

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33.3n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506816
PNG
(US11046652, Example 1-10)
Show SMILES CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1CCOCc1ccccc1 |r|
PDB

UniProtKB/SwissProt

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39.8n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506817
PNG
(US11046652, Example 1-11)
Show SMILES CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1CCCOCc1ccccc1 |r|
PDB

UniProtKB/SwissProt

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44n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506837
PNG
(US11046652, Example 3-10 | US11046652, Example 3-1...)
Show SMILES CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1-c1ccccc1 |r|
PDB

UniProtKB/SwissProt

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53n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506827
PNG
(US11046652, Example 2-6)
Show SMILES CO[C@H](CC(=O)NO)[C@H](Cc1ccc(C)cc1)c1ccnn1C(C)C |r|
PDB

UniProtKB/SwissProt

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118n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506839
PNG
(US11046652, Example 4-1)
Show SMILES CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1cc(C)n(C)n1 |r|
PDB

UniProtKB/SwissProt

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182n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506831
PNG
(US11046652, Example 3-4)
Show SMILES CO[C@H](CC(=O)NO)[C@H](Cc1ccc(C)cc1)c1ccnn1C1CC1 |r|
PDB

UniProtKB/SwissProt

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207n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506826
PNG
(US11046652, Example 2-5)
Show SMILES CO[C@H](CC(=O)NO)[C@H](Cc1ccc(F)c(C)c1)c1ccnn1C(C)C |r|
PDB

UniProtKB/SwissProt

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214n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506842
PNG
(US11046652, Example 5-2)
Show SMILES CCCO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C(C)C |r|
PDB

UniProtKB/SwissProt

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246n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506843
PNG
(US11046652, Example 5-3)
Show SMILES CC(C)CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C(C)C |r|
PDB

UniProtKB/SwissProt

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299n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506830
PNG
(US11046652, Example 3-3)
Show SMILES CO[C@H](CC(=O)NO)[C@H](Cc1ccc(F)c(C)c1)c1ccnn1C1CC1 |r|
PDB

UniProtKB/SwissProt

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623n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506844
PNG
(US11046652, Example 5-4)
Show SMILES CC(C)n1nccc1[C@@H](Cc1ccc(Cl)cc1)[C@@H](CC(=O)NO)OCCCF |r|
PDB

UniProtKB/SwissProt

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629n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A [1-429]


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM506845
PNG
(US11046652, Example 5-5)
Show SMILES CC(C)n1nccc1[C@H](CCC(=O)NO)Cc1ccc(Cl)cc1 |r|
PDB

UniProtKB/SwissProt

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7.45E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35TK
More data for this
Ligand-Target Pair