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Patent code US9127005

Compile Data Set for Download or QSAR
Found 20 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 D1


(Homo sapiens (Human))		BDBM179748
PNG
(US9127005, P22)
Show SMILES Fc1ccc(cc1)C1CNC(=O)C11CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C27H28FN3O2/c28-23-9-7-20(8-10-23)24-18-30-26(33)27(24)11-14-31(15-12-27)16-13-29-25(32)22-6-5-19-3-1-2-4-21(19)17-22/h1-10,17,24H,11-16,18H2,(H,29,32)(H,30,33)
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n/an/a 73n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
In one aspect, the compound inhibits PLD activity; that is, a compound can inhibit PLD1 activity and/or PLD2 activity. In a further aspect, the compo...

US Patent US9127005 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GHP
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))		BDBM179736
PNG
(US9127005, P0L)
Show SMILES C[C@@H](CN1CCC2(CC1)[C@H](CNC2=O)c1ccc(F)cc1)NC(=O)c1cnc2ccccc2c1 |r|
Show InChI InChI=1S/C27H29FN4O2/c1-18(31-25(33)21-14-20-4-2-3-5-24(20)29-15-21)17-32-12-10-27(11-13-32)23(16-30-26(27)34)19-6-8-22(28)9-7-19/h2-9,14-15,18,23H,10-13,16-17H2,1H3,(H,30,34)(H,31,33)/t18-,23+/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
In one aspect, the compound inhibits PLD activity; that is, a compound can inhibit PLD1 activity and/or PLD2 activity. In a further aspect, the compo...

US Patent US9127005 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GHP
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))		BDBM179741
PNG
(US9127005, CTH Racemic mixture | US9127005, P1P)
Show SMILES Fc1ccc(cc1)[C@H]1CNC(=O)C11CCN(CCNC(=O)c2cnc3ccccc3c2)CC1 |r|
Show InChI InChI=1S/C26H27FN4O2/c27-21-7-5-18(6-8-21)22-17-30-25(33)26(22)9-12-31(13-10-26)14-11-28-24(32)20-15-19-3-1-2-4-23(19)29-16-20/h1-8,15-16,22H,9-14,17H2,(H,28,32)(H,30,33)/t22-/m1/s1
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n/an/a 450n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
In one aspect, the compound inhibits PLD activity; that is, a compound can inhibit PLD1 activity and/or PLD2 activity. In a further aspect, the compo...

US Patent US9127005 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GHP
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))		BDBM179738
PNG
(US9127005, NFW)
Show SMILES Fc1ccc(cc1)[C@H]1CNC(=O)C11CCN(CCNC(=O)c2ccc(F)cc2)CC1 |r|
Show InChI InChI=1S/C23H25F2N3O2/c24-18-5-1-16(2-6-18)20-15-27-22(30)23(20)9-12-28(13-10-23)14-11-26-21(29)17-3-7-19(25)8-4-17/h1-8,20H,9-15H2,(H,26,29)(H,27,30)/t20-/m1/s1
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n/an/a 480n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
In one aspect, the compound inhibits PLD activity; that is, a compound can inhibit PLD1 activity and/or PLD2 activity. In a further aspect, the compo...

US Patent US9127005 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GHP
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))		BDBM179736
PNG
(US9127005, P0L)
Show SMILES C[C@@H](CN1CCC2(CC1)[C@H](CNC2=O)c1ccc(F)cc1)NC(=O)c1cnc2ccccc2c1 |r|
Show InChI InChI=1S/C27H29FN4O2/c1-18(31-25(33)21-14-20-4-2-3-5-24(20)29-15-21)17-32-12-10-27(11-13-32)23(16-30-26(27)34)19-6-8-22(28)9-7-19/h2-9,14-15,18,23H,10-13,16-17H2,1H3,(H,30,34)(H,31,33)/t18-,23+/m0/s1
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n/an/a 725n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
In one aspect, the compound inhibits PLD activity; that is, a compound can inhibit PLD1 activity and/or PLD2 activity. In a further aspect, the compo...

US Patent US9127005 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GHP
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))		BDBM179733
PNG
(US9127005, NGH)
Show SMILES C[C@@H](CN1CCC2(CC1)[C@H](CNC2=O)c1ccc(F)cc1)NC(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H27F2N3O2/c1-16(28-22(30)18-4-8-20(26)9-5-18)15-29-12-10-24(11-13-29)21(14-27-23(24)31)17-2-6-19(25)7-3-17/h2-9,16,21H,10-15H2,1H3,(H,27,31)(H,28,30)/t16-,21+/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
In one aspect, the compound inhibits PLD activity; that is, a compound can inhibit PLD1 activity and/or PLD2 activity. In a further aspect, the compo...

US Patent US9127005 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GHP
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))		BDBM179741
PNG
(US9127005, CTH Racemic mixture | US9127005, P1P)
Show SMILES Fc1ccc(cc1)[C@H]1CNC(=O)C11CCN(CCNC(=O)c2cnc3ccccc3c2)CC1 |r|
Show InChI InChI=1S/C26H27FN4O2/c27-21-7-5-18(6-8-21)22-17-30-25(33)26(22)9-12-31(13-10-26)14-11-28-24(32)20-15-19-3-1-2-4-23(19)29-16-20/h1-8,15-16,22H,9-14,17H2,(H,28,32)(H,30,33)/t22-/m1/s1
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n/an/a 1.97E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
In one aspect, the compound inhibits PLD activity; that is, a compound can inhibit PLD1 activity and/or PLD2 activity. In a further aspect, the compo...

US Patent US9127005 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GHP
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))		BDBM179733
PNG
(US9127005, NGH)
Show SMILES C[C@@H](CN1CCC2(CC1)[C@H](CNC2=O)c1ccc(F)cc1)NC(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H27F2N3O2/c1-16(28-22(30)18-4-8-20(26)9-5-18)15-29-12-10-24(11-13-29)21(14-27-23(24)31)17-2-6-19(25)7-3-17/h2-9,16,21H,10-15H2,1H3,(H,27,31)(H,28,30)/t16-,21+/m0/s1
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n/an/a 2.24E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
In one aspect, the compound inhibits PLD activity; that is, a compound can inhibit PLD1 activity and/or PLD2 activity. In a further aspect, the compo...

US Patent US9127005 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GHP
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))		BDBM179748
PNG
(US9127005, P22)
Show SMILES Fc1ccc(cc1)C1CNC(=O)C11CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C27H28FN3O2/c28-23-9-7-20(8-10-23)24-18-30-26(33)27(24)11-14-31(15-12-27)16-13-29-25(32)22-6-5-19-3-1-2-4-21(19)17-22/h1-10,17,24H,11-16,18H2,(H,29,32)(H,30,33)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
In one aspect, the compound inhibits PLD activity; that is, a compound can inhibit PLD1 activity and/or PLD2 activity. In a further aspect, the compo...

US Patent US9127005 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GHP
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))		BDBM179747
PNG
(US9127005, NFT)
Show SMILES Fc1ccc(cc1)C1CNC(=O)C11CCN(CCNC(=O)c2cnc3ccccc3c2)CC1
Show InChI InChI=1S/C26H27FN4O2/c27-21-7-5-18(6-8-21)22-17-30-25(33)26(22)9-12-31(13-10-26)14-11-28-24(32)20-15-19-3-1-2-4-23(19)29-16-20/h1-8,15-16,22H,9-14,17H2,(H,28,32)(H,30,33)
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n/an/a 5.05E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
In one aspect, the compound inhibits PLD activity; that is, a compound can inhibit PLD1 activity and/or PLD2 activity. In a further aspect, the compo...

US Patent US9127005 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GHP
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))		BDBM179741
PNG
(US9127005, CTH Racemic mixture | US9127005, P1P)
Show SMILES Fc1ccc(cc1)[C@H]1CNC(=O)C11CCN(CCNC(=O)c2cnc3ccccc3c2)CC1 |r|
Show InChI InChI=1S/C26H27FN4O2/c27-21-7-5-18(6-8-21)22-17-30-25(33)26(22)9-12-31(13-10-26)14-11-28-24(32)20-15-19-3-1-2-4-23(19)29-16-20/h1-8,15-16,22H,9-14,17H2,(H,28,32)(H,30,33)/t22-/m1/s1
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n/an/a 5.05E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
In one aspect, the compound inhibits PLD activity; that is, a compound can inhibit PLD1 activity and/or PLD2 activity. In a further aspect, the compo...

US Patent US9127005 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GHP
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))		BDBM179746
PNG
(US9127005, P2E)
Show SMILES C[C@@H](CN1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1)NC(=O)c1cnc2ccccc2c1 |r|
Show InChI InChI=1S/C27H29FN4O2/c1-18(31-25(33)21-14-20-4-2-3-5-24(20)29-15-21)17-32-12-10-27(11-13-32)23(16-30-26(27)34)19-6-8-22(28)9-7-19/h2-9,14-15,18,23H,10-13,16-17H2,1H3,(H,30,34)(H,31,33)/t18-,23?/m0/s1
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n/an/a 5.13E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
In one aspect, the compound inhibits PLD activity; that is, a compound can inhibit PLD1 activity and/or PLD2 activity. In a further aspect, the compo...

US Patent US9127005 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GHP
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))		BDBM179743
PNG
(US9127005, P2B)
Show SMILES C[C@@H](CN1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1)NC(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H27F2N3O2/c1-16(28-22(30)18-4-8-20(26)9-5-18)15-29-12-10-24(11-13-29)21(14-27-23(24)31)17-2-6-19(25)7-3-17/h2-9,16,21H,10-15H2,1H3,(H,27,31)(H,28,30)/t16-,21?/m0/s1
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n/an/a 5.15E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
In one aspect, the compound inhibits PLD activity; that is, a compound can inhibit PLD1 activity and/or PLD2 activity. In a further aspect, the compo...

US Patent US9127005 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GHP
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))		BDBM179746
PNG
(US9127005, P2E)
Show SMILES C[C@@H](CN1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1)NC(=O)c1cnc2ccccc2c1 |r|
Show InChI InChI=1S/C27H29FN4O2/c1-18(31-25(33)21-14-20-4-2-3-5-24(20)29-15-21)17-32-12-10-27(11-13-32)23(16-30-26(27)34)19-6-8-22(28)9-7-19/h2-9,14-15,18,23H,10-13,16-17H2,1H3,(H,30,34)(H,31,33)/t18-,23?/m0/s1
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n/an/a 6.75E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
In one aspect, the compound inhibits PLD activity; that is, a compound can inhibit PLD1 activity and/or PLD2 activity. In a further aspect, the compo...

US Patent US9127005 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GHP
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))		BDBM179743
PNG
(US9127005, P2B)
Show SMILES C[C@@H](CN1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1)NC(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H27F2N3O2/c1-16(28-22(30)18-4-8-20(26)9-5-18)15-29-12-10-24(11-13-29)21(14-27-23(24)31)17-2-6-19(25)7-3-17/h2-9,16,21H,10-15H2,1H3,(H,27,31)(H,28,30)/t16-,21?/m0/s1
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n/an/a 9.44E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
In one aspect, the compound inhibits PLD activity; that is, a compound can inhibit PLD1 activity and/or PLD2 activity. In a further aspect, the compo...

US Patent US9127005 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GHP
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))		BDBM179738
PNG
(US9127005, NFW)
Show SMILES Fc1ccc(cc1)[C@H]1CNC(=O)C11CCN(CCNC(=O)c2ccc(F)cc2)CC1 |r|
Show InChI InChI=1S/C23H25F2N3O2/c24-18-5-1-16(2-6-18)20-15-27-22(30)23(20)9-12-28(13-10-23)14-11-26-21(29)17-3-7-19(25)8-4-17/h1-8,20H,9-15H2,(H,26,29)(H,27,30)/t20-/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
In one aspect, the compound inhibits PLD activity; that is, a compound can inhibit PLD1 activity and/or PLD2 activity. In a further aspect, the compo...

US Patent US9127005 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GHP
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))		BDBM179741
PNG
(US9127005, CTH Racemic mixture | US9127005, P1P)
Show SMILES Fc1ccc(cc1)[C@H]1CNC(=O)C11CCN(CCNC(=O)c2cnc3ccccc3c2)CC1 |r|
Show InChI InChI=1S/C26H27FN4O2/c27-21-7-5-18(6-8-21)22-17-30-25(33)26(22)9-12-31(13-10-26)14-11-28-24(32)20-15-19-3-1-2-4-23(19)29-16-20/h1-8,15-16,22H,9-14,17H2,(H,28,32)(H,30,33)/t22-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
In one aspect, the compound inhibits PLD activity; that is, a compound can inhibit PLD1 activity and/or PLD2 activity. In a further aspect, the compo...

US Patent US9127005 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GHP
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))		BDBM179747
PNG
(US9127005, NFT)
Show SMILES Fc1ccc(cc1)C1CNC(=O)C11CCN(CCNC(=O)c2cnc3ccccc3c2)CC1
Show InChI InChI=1S/C26H27FN4O2/c27-21-7-5-18(6-8-21)22-17-30-25(33)26(22)9-12-31(13-10-26)14-11-28-24(32)20-15-19-3-1-2-4-23(19)29-16-20/h1-8,15-16,22H,9-14,17H2,(H,28,32)(H,30,33)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
In one aspect, the compound inhibits PLD activity; that is, a compound can inhibit PLD1 activity and/or PLD2 activity. In a further aspect, the compo...

US Patent US9127005 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GHP
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))		BDBM179751
PNG
(US9127005, P2C)
Show SMILES Fc1ccc(cc1)C1CNC(=O)C11CCN(CCNC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H25F2N3O2/c24-18-5-1-16(2-6-18)20-15-27-22(30)23(20)9-12-28(13-10-23)14-11-26-21(29)17-3-7-19(25)8-4-17/h1-8,20H,9-15H2,(H,26,29)(H,27,30)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
In one aspect, the compound inhibits PLD activity; that is, a compound can inhibit PLD1 activity and/or PLD2 activity. In a further aspect, the compo...

US Patent US9127005 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GHP
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))		BDBM179751
PNG
(US9127005, P2C)
Show SMILES Fc1ccc(cc1)C1CNC(=O)C11CCN(CCNC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H25F2N3O2/c24-18-5-1-16(2-6-18)20-15-27-22(30)23(20)9-12-28(13-10-23)14-11-26-21(29)17-3-7-19(25)8-4-17/h1-8,20H,9-15H2,(H,26,29)(H,27,30)
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US Patent
n/an/a>2.00E+4n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
In one aspect, the compound inhibits PLD activity; that is, a compound can inhibit PLD1 activity and/or PLD2 activity. In a further aspect, the compo...

US Patent US9127005 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GHP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%