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Patent code US9453017

Compile Data Set for Download or QSAR
Found 12 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
Phospholipase D (PLD)


(Homo sapiens (Human))
BDBM247410
PNG
(US9453017, 2)
Show SMILES C[C@@H](CN1CCC(CC1)n1c2ccc(Br)cc2[nH]c1=O)NC(=O)[C@@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C25H29BrN4O2/c1-16(27-24(31)21-14-20(21)17-5-3-2-4-6-17)15-29-11-9-19(10-12-29)30-23-8-7-18(26)13-22(23)28-25(30)32/h2-8,13,16,19-21H,9-12,14-15H2,1H3,(H,27,31)(H,28,32)/t16-,20+,21+/m0/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 3.70n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
The ability of representative disclosed to block influenza infection was assessed in a cell-based assay using A549 human epithelial cells (ATCC CCL-1...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PLD)


(Homo sapiens (Human))
BDBM247410
PNG
(US9453017, 2)
Show SMILES C[C@@H](CN1CCC(CC1)n1c2ccc(Br)cc2[nH]c1=O)NC(=O)[C@@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C25H29BrN4O2/c1-16(27-24(31)21-14-20(21)17-5-3-2-4-6-17)15-29-11-9-19(10-12-29)30-23-8-7-18(26)13-22(23)28-25(30)32/h2-8,13,16,19-21H,9-12,14-15H2,1H3,(H,27,31)(H,28,32)/t16-,20+,21+/m0/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 15n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
In vitro PLD activity is measured with an exogenous substrate assay as previously described (Brown, H. A. et al. (1993) Cell 75:1137-1144). Briefly, ...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM247409
PNG
(US9453017, 1)
Show SMILES Fc1cccc(c1)N1C(=O)NCC11CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H27FN4O2/c27-22-6-3-7-23(17-22)31-25(33)29-18-26(31)10-13-30(14-11-26)15-12-28-24(32)21-9-8-19-4-1-2-5-20(19)16-21/h1-9,16-17H,10-15,18H2,(H,28,32)(H,29,33)
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UniChem
US Patent
n/an/a 20n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
The ability of representative disclosed to block influenza infection was assessed in a cell-based assay using A549 human epithelial cells (ATCC CCL-1...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PLD)


(Homo sapiens (Human))
BDBM87245
PNG
(CHEMBL492797 | ML272 | N-(2-(4-(2-Oxo-2,3-dihydro-...)
Show SMILES O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H26N4O2/c30-24(20-10-9-18-5-1-2-6-19(18)17-20)26-13-16-28-14-11-21(12-15-28)29-23-8-4-3-7-22(23)27-25(29)31/h1-10,17,21H,11-16H2,(H,26,30)(H,27,31)
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US Patent
n/an/a 21n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
The ability of representative disclosed to block influenza infection was assessed in a cell-based assay using A549 human epithelial cells (ATCC CCL-1...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PLD)


(Homo sapiens (Human))
BDBM87245
PNG
(CHEMBL492797 | ML272 | N-(2-(4-(2-Oxo-2,3-dihydro-...)
Show SMILES O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H26N4O2/c30-24(20-10-9-18-5-1-2-6-19(18)17-20)26-13-16-28-14-11-21(12-15-28)29-23-8-4-3-7-22(23)27-25(29)31/h1-10,17,21H,11-16H2,(H,26,30)(H,27,31)
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PC cid
PC sid
UniChem

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US Patent
n/an/a 80n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
In vitro PLD activity is measured with an exogenous substrate assay as previously described (Brown, H. A. et al. (1993) Cell 75:1137-1144). Briefly, ...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM247409
PNG
(US9453017, 1)
Show SMILES Fc1cccc(c1)N1C(=O)NCC11CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H27FN4O2/c27-22-6-3-7-23(17-22)31-25(33)29-18-26(31)10-13-30(14-11-26)15-12-28-24(32)21-9-8-19-4-1-2-5-20(19)16-21/h1-9,16-17H,10-15,18H2,(H,28,32)(H,29,33)
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PC cid
PC sid
UniChem
US Patent
n/an/a 100n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
In vitro PLD activity is measured with an exogenous substrate assay as previously described (Brown, H. A. et al. (1993) Cell 75:1137-1144). Briefly, ...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM87245
PNG
(CHEMBL492797 | ML272 | N-(2-(4-(2-Oxo-2,3-dihydro-...)
Show SMILES O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H26N4O2/c30-24(20-10-9-18-5-1-2-6-19(18)17-20)26-13-16-28-14-11-21(12-15-28)29-23-8-4-3-7-22(23)27-25(29)31/h1-10,17,21H,11-16H2,(H,26,30)(H,27,31)
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PC cid
PC sid
UniChem

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US Patent
n/an/a 240n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
In vitro PLD activity is measured with an exogenous substrate assay as previously described (Brown, H. A. et al. (1993) Cell 75:1137-1144). Briefly, ...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM87245
PNG
(CHEMBL492797 | ML272 | N-(2-(4-(2-Oxo-2,3-dihydro-...)
Show SMILES O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H26N4O2/c30-24(20-10-9-18-5-1-2-6-19(18)17-20)26-13-16-28-14-11-21(12-15-28)29-23-8-4-3-7-22(23)27-25(29)31/h1-10,17,21H,11-16H2,(H,26,30)(H,27,31)
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PC sid
UniChem

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US Patent
n/an/a 380n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
The ability of representative disclosed to block influenza infection was assessed in a cell-based assay using A549 human epithelial cells (ATCC CCL-1...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM247410
PNG
(US9453017, 2)
Show SMILES C[C@@H](CN1CCC(CC1)n1c2ccc(Br)cc2[nH]c1=O)NC(=O)[C@@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C25H29BrN4O2/c1-16(27-24(31)21-14-20(21)17-5-3-2-4-6-17)15-29-11-9-19(10-12-29)30-23-8-7-18(26)13-22(23)28-25(30)32/h2-8,13,16,19-21H,9-12,14-15H2,1H3,(H,27,31)(H,28,32)/t16-,20+,21+/m0/s1
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UniChem
US Patent
n/an/a 1.10E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
In vitro PLD activity is measured with an exogenous substrate assay as previously described (Brown, H. A. et al. (1993) Cell 75:1137-1144). Briefly, ...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PLD)


(Homo sapiens (Human))
BDBM247409
PNG
(US9453017, 1)
Show SMILES Fc1cccc(c1)N1C(=O)NCC11CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H27FN4O2/c27-22-6-3-7-23(17-22)31-25(33)29-18-26(31)10-13-30(14-11-26)15-12-28-24(32)21-9-8-19-4-1-2-5-20(19)16-21/h1-9,16-17H,10-15,18H2,(H,28,32)(H,29,33)
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PC sid
UniChem
US Patent
n/an/a 1.50E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
The ability of representative disclosed to block influenza infection was assessed in a cell-based assay using A549 human epithelial cells (ATCC CCL-1...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM247410
PNG
(US9453017, 2)
Show SMILES C[C@@H](CN1CCC(CC1)n1c2ccc(Br)cc2[nH]c1=O)NC(=O)[C@@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C25H29BrN4O2/c1-16(27-24(31)21-14-20(21)17-5-3-2-4-6-17)15-29-11-9-19(10-12-29)30-23-8-7-18(26)13-22(23)28-25(30)32/h2-8,13,16,19-21H,9-12,14-15H2,1H3,(H,27,31)(H,28,32)/t16-,20+,21+/m0/s1
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US Patent
n/an/a 6.40E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
The ability of representative disclosed to block influenza infection was assessed in a cell-based assay using A549 human epithelial cells (ATCC CCL-1...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D (PLD)


(Homo sapiens (Human))
BDBM247409
PNG
(US9453017, 1)
Show SMILES Fc1cccc(c1)N1C(=O)NCC11CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H27FN4O2/c27-22-6-3-7-23(17-22)31-25(33)29-18-26(31)10-13-30(14-11-26)15-12-28-24(32)21-9-8-19-4-1-2-5-20(19)16-21/h1-9,16-17H,10-15,18H2,(H,28,32)(H,29,33)
KEGG

UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 7.40E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
In vitro PLD activity is measured with an exogenous substrate assay as previously described (Brown, H. A. et al. (1993) Cell 75:1137-1144). Briefly, ...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%