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Compile Data Set for Download or QSAR

Found 445 hits with Last Name = 'brown' and Initial = 'ka'   
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))
BDBM87119
PNG
((1R,2R)-N-[(1S)-2-[4-(5-bromo-2-keto-3H-benzimidaz...)
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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n/an/a 3.70n/an/an/an/an/an/a



Vanderbilt University



Assay Description
Cells were seeded into 12-well tissue culture plates to reach 90% confluence at the time of assay. All cell types, aside from the HEK293-gfpPLD2 cell...


ACS Chem Biol 10: 421-32 (2015)


Article DOI: 10.1021/cb500828m
BindingDB Entry DOI: 10.7270/Q2H70DK8
More data for this
Ligand-Target Pair
Phospholipase D (PLD)


(Homo sapiens (Human))
BDBM50427800
PNG
(CHEMBL2325485)
Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(C)c1)NC(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C24H29BrN4O2/c1-17-4-3-5-21(14-17)29-16-26-23(31)24(29)10-12-28(13-11-24)15-18(2)27-22(30)19-6-8-20(25)9-7-19/h3-9,14,18H,10-13,15-16H2,1-2H3,(H,26,31)(H,27,30)/t18-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of PLD1 in human Calu-1 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition measured af...


J Med Chem 56: 2695-9 (2013)


Article DOI: 10.1021/jm301782e
BindingDB Entry DOI: 10.7270/Q2RJ4KT8
More data for this
Ligand-Target Pair
Phospholipase D (PLD)


(Homo sapiens (Human))
BDBM154517
PNG
(ML299 (5))
Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C23H26BrFN4O2/c1-16(27-21(30)17-5-7-18(24)8-6-17)14-28-11-9-23(10-12-28)22(31)26-15-29(23)20-4-2-3-19(25)13-20/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,31)(H,27,30)/t16-/m0/s1
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n/an/a 6.10n/an/an/an/an/an/a



Vanderbilt University



Assay Description
Cells were seeded into 12-well tissue culture plates to reach 90% confluence at the time of assay. All cell types, aside from the HEK293-gfpPLD2 cell...


ACS Chem Biol 10: 421-32 (2015)


Article DOI: 10.1021/cb500828m
BindingDB Entry DOI: 10.7270/Q2H70DK8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50206160
PNG
(CHEMBL245621 | Halopemide | Halopemide, 8 | N-(2-(...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C21H22ClFN4O2/c22-15-3-6-19-18(13-15)25-21(29)27(19)17-7-10-26(11-8-17)12-9-24-20(28)14-1-4-16(23)5-2-14/h1-6,13,17H,7-12H2,(H,24,28)(H,25,29)
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n/an/a 7n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of dopamine receptor D2 (unknown origin)


J Med Chem 56: 2695-9 (2013)


Article DOI: 10.1021/jm301782e
BindingDB Entry DOI: 10.7270/Q2RJ4KT8
More data for this
Ligand-Target Pair
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM154517
PNG
(ML299 (5))
Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C23H26BrFN4O2/c1-16(27-21(30)17-5-7-18(24)8-6-17)14-28-11-9-23(10-12-28)22(31)26-15-29(23)20-4-2-3-19(25)13-20/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,31)(H,27,30)/t16-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Vanderbilt University



Assay Description
Cells were seeded into 12-well tissue culture plates to reach 90% confluence at the time of assay. All cell types, aside from the HEK293-gfpPLD2 cell...


ACS Chem Biol 10: 421-32 (2015)


Article DOI: 10.1021/cb500828m
BindingDB Entry DOI: 10.7270/Q2H70DK8
More data for this
Ligand-Target Pair
Phospholipase D (PLD)


(Homo sapiens (Human))
BDBM50427802
PNG
(CHEMBL2325482)
Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C23H26F2N4O2/c1-16(27-21(30)17-5-7-18(24)8-6-17)14-28-11-9-23(10-12-28)22(31)26-15-29(23)20-4-2-3-19(25)13-20/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,31)(H,27,30)/t16-/m0/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of PLD1 in human Calu-1 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition measured af...


J Med Chem 56: 2695-9 (2013)


Article DOI: 10.1021/jm301782e
BindingDB Entry DOI: 10.7270/Q2RJ4KT8
More data for this
Ligand-Target Pair
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM50427800
PNG
(CHEMBL2325485)
Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(C)c1)NC(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C24H29BrN4O2/c1-17-4-3-5-21(14-17)29-16-26-23(31)24(29)10-12-28(13-11-24)15-18(2)27-22(30)19-6-8-20(25)9-7-19/h3-9,14,18H,10-13,15-16H2,1-2H3,(H,26,31)(H,27,30)/t18-/m0/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of GFP-tagged PLD2 in human HEK293 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition ...


J Med Chem 56: 2695-9 (2013)


Article DOI: 10.1021/jm301782e
BindingDB Entry DOI: 10.7270/Q2RJ4KT8
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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n/an/a 21n/an/an/an/an/an/a



Vanderbilt University



Assay Description
Cells were seeded into 12-well tissue culture plates to reach 90% confluence at the time of assay. All cell types, aside from the HEK293-gfpPLD2 cell...


ACS Chem Biol 10: 421-32 (2015)


Article DOI: 10.1021/cb500828m
BindingDB Entry DOI: 10.7270/Q2H70DK8
More data for this
Ligand-Target Pair
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM50427802
PNG
(CHEMBL2325482)
Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C23H26F2N4O2/c1-16(27-21(30)17-5-7-18(24)8-6-17)14-28-11-9-23(10-12-28)22(31)26-15-29(23)20-4-2-3-19(25)13-20/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,31)(H,27,30)/t16-/m0/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of GFP-tagged PLD2 in human HEK293 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition ...


J Med Chem 56: 2695-9 (2013)


Article DOI: 10.1021/jm301782e
BindingDB Entry DOI: 10.7270/Q2RJ4KT8
More data for this
Ligand-Target Pair
Phospholipase D (PLD)


(Homo sapiens (Human))
BDBM50427800
PNG
(CHEMBL2325485)
Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(C)c1)NC(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C24H29BrN4O2/c1-17-4-3-5-21(14-17)29-16-26-23(31)24(29)10-12-28(13-11-24)15-18(2)27-22(30)19-6-8-20(25)9-7-19/h3-9,14,18H,10-13,15-16H2,1-2H3,(H,26,31)(H,27,30)/t18-/m0/s1
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n/an/a 48n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of PLD1 (unknown origin) assessed as release of [methyl-3H] from [choline-methyl-3H] dipalmitoyl-phosphotidylcholine after 30 mins by liqu...


J Med Chem 56: 2695-9 (2013)


Article DOI: 10.1021/jm301782e
BindingDB Entry DOI: 10.7270/Q2RJ4KT8
More data for this
Ligand-Target Pair
Phospholipase D (PLD)


(Homo sapiens (Human))
BDBM50427805
PNG
(CHEMBL2325486)
Show SMILES C[C@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C23H26BrFN4O2/c1-16(27-21(30)17-5-7-18(24)8-6-17)14-28-11-9-23(10-12-28)22(31)26-15-29(23)20-4-2-3-19(25)13-20/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,31)(H,27,30)/t16-/m1/s1
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n/an/a 75n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of PLD1 in human Calu-1 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition measured af...


J Med Chem 56: 2695-9 (2013)


Article DOI: 10.1021/jm301782e
BindingDB Entry DOI: 10.7270/Q2RJ4KT8
More data for this
Ligand-Target Pair
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM50427800
PNG
(CHEMBL2325485)
Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(C)c1)NC(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C24H29BrN4O2/c1-17-4-3-5-21(14-17)29-16-26-23(31)24(29)10-12-28(13-11-24)15-18(2)27-22(30)19-6-8-20(25)9-7-19/h3-9,14,18H,10-13,15-16H2,1-2H3,(H,26,31)(H,27,30)/t18-/m0/s1
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n/an/a 84n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of PLD2 (unknown origin) assessed as release of [methyl-3H] from [choline-methyl-3H] dipalmitoyl-phosphotidylcholine after 30 mins by liqu...


J Med Chem 56: 2695-9 (2013)


Article DOI: 10.1021/jm301782e
BindingDB Entry DOI: 10.7270/Q2RJ4KT8
More data for this
Ligand-Target Pair
Phospholipase D (PLD)


(Homo sapiens (Human))
BDBM50427804
PNG
(CHEMBL2325487)
Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C23H25F3N4O2/c1-15(28-21(31)16-5-6-19(25)20(26)11-16)13-29-9-7-23(8-10-29)22(32)27-14-30(23)18-4-2-3-17(24)12-18/h2-6,11-12,15H,7-10,13-14H2,1H3,(H,27,32)(H,28,31)/t15-/m0/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of PLD1 in human Calu-1 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition measured af...


J Med Chem 56: 2695-9 (2013)


Article DOI: 10.1021/jm301782e
BindingDB Entry DOI: 10.7270/Q2RJ4KT8
More data for this
Ligand-Target Pair
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM50427804
PNG
(CHEMBL2325487)
Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C23H25F3N4O2/c1-15(28-21(31)16-5-6-19(25)20(26)11-16)13-29-9-7-23(8-10-29)22(32)27-14-30(23)18-4-2-3-17(24)12-18/h2-6,11-12,15H,7-10,13-14H2,1H3,(H,27,32)(H,28,31)/t15-/m0/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of GFP-tagged PLD2 in human HEK293 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition ...


J Med Chem 56: 2695-9 (2013)


Article DOI: 10.1021/jm301782e
BindingDB Entry DOI: 10.7270/Q2RJ4KT8
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50137357
PNG
(CHEMBL3754633)
Show SMILES NC(=O)c1ccc(cc1)-c1ccc(s1)-c1ccc2C(=O)OCc2c1
Show InChI InChI=1S/C19H13NO3S/c20-18(21)12-3-1-11(2-4-12)16-7-8-17(24-16)13-5-6-15-14(9-13)10-23-19(15)22/h1-9H,10H2,(H2,20,21)
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin (unknown origin) mediated lysis of human Jurkat cells pre-incubated for 30 mins with perforin followed by incubati...


Bioorg Med Chem Lett 26: 355-60 (2016)


BindingDB Entry DOI: 10.7270/Q2B859ZN
More data for this
Ligand-Target Pair
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM50427806
PNG
(CHEMBL2325484)
Show SMILES Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc(Br)cc2)CC1
Show InChI InChI=1S/C22H24BrFN4O2/c23-17-6-4-16(5-7-17)20(29)25-10-13-27-11-8-22(9-12-27)21(30)26-15-28(22)19-3-1-2-18(24)14-19/h1-7,14H,8-13,15H2,(H,25,29)(H,26,30)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of GFP-tagged PLD2 in human HEK293 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition ...


J Med Chem 56: 2695-9 (2013)


Article DOI: 10.1021/jm301782e
BindingDB Entry DOI: 10.7270/Q2RJ4KT8
More data for this
Ligand-Target Pair
Phospholipase D (PLD)


(Homo sapiens (Human))
BDBM50206160
PNG
(CHEMBL245621 | Halopemide | Halopemide, 8 | N-(2-(...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C21H22ClFN4O2/c22-15-3-6-19-18(13-15)25-21(29)27(19)17-7-10-26(11-8-17)12-9-24-20(28)14-1-4-16(23)5-2-14/h1-6,13,17H,7-12H2,(H,24,28)(H,25,29)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of PLD1 (unknown origin)


J Med Chem 56: 2695-9 (2013)


Article DOI: 10.1021/jm301782e
BindingDB Entry DOI: 10.7270/Q2RJ4KT8
More data for this
Ligand-Target Pair
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM50206160
PNG
(CHEMBL245621 | Halopemide | Halopemide, 8 | N-(2-(...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C21H22ClFN4O2/c22-15-3-6-19-18(13-15)25-21(29)27(19)17-7-10-26(11-8-17)12-9-24-20(28)14-1-4-16(23)5-2-14/h1-6,13,17H,7-12H2,(H,24,28)(H,25,29)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of PLD2 (unknown origin)


J Med Chem 56: 2695-9 (2013)


Article DOI: 10.1021/jm301782e
BindingDB Entry DOI: 10.7270/Q2RJ4KT8
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50361411
PNG
(CHEMBL1934375)
Show SMILES O=C1NC(=S)NC1=Cc1csc(n1)-c1ccc2C(=O)OCc2c1 |w:6.5,8.8|
Show InChI InChI=1S/C15H9N3O3S2/c19-12-11(17-15(22)18-12)4-9-6-23-13(16-9)7-1-2-10-8(3-7)5-21-14(10)20/h1-4,6H,5H2,(H2,17,18,19,22)
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...


Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM87131
PNG
(4-fluoranyl-N-[2-[1-(3-fluorophenyl)-4-oxidanylide...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1
Show InChI InChI=1S/C22H24F2N4O2/c23-17-6-4-16(5-7-17)20(29)25-10-13-27-11-8-22(9-12-27)21(30)26-15-28(22)19-3-1-2-18(24)14-19/h1-7,14H,8-13,15H2,(H,25,29)(H,26,30)
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n/an/a 350n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of GFP-tagged PLD2 in human HEK293 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition ...


J Med Chem 56: 2695-9 (2013)


Article DOI: 10.1021/jm301782e
BindingDB Entry DOI: 10.7270/Q2RJ4KT8
More data for this
Ligand-Target Pair
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM87123
PNG
(3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...)
Show SMILES Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc(F)c(F)c2)CC1
Show InChI InChI=1S/C22H23F3N4O2/c23-16-2-1-3-17(13-16)29-14-27-21(31)22(29)6-9-28(10-7-22)11-8-26-20(30)15-4-5-18(24)19(25)12-15/h1-5,12-13H,6-11,14H2,(H,26,30)(H,27,31)
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n/an/a 355n/an/an/an/an/an/a



Vanderbilt University



Assay Description
Cells were seeded into 12-well tissue culture plates to reach 90% confluence at the time of assay. All cell types, aside from the HEK293-gfpPLD2 cell...


ACS Chem Biol 10: 421-32 (2015)


Article DOI: 10.1021/cb500828m
BindingDB Entry DOI: 10.7270/Q2H70DK8
More data for this
Ligand-Target Pair
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM87123
PNG
(3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...)
Show SMILES Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc(F)c(F)c2)CC1
Show InChI InChI=1S/C22H23F3N4O2/c23-16-2-1-3-17(13-16)29-14-27-21(31)22(29)6-9-28(10-7-22)11-8-26-20(30)15-4-5-18(24)19(25)12-15/h1-5,12-13H,6-11,14H2,(H,26,30)(H,27,31)
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n/an/a 355n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of GFP-tagged PLD2 in human HEK293 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition ...


J Med Chem 56: 2695-9 (2013)


Article DOI: 10.1021/jm301782e
BindingDB Entry DOI: 10.7270/Q2RJ4KT8
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50361417
PNG
(CHEMBL1934381)
Show SMILES O=C1NC(=S)NC1=Cc1cc2ccc(cc2s1)-c1ccc2C(=O)OCc2c1 |w:6.5,8.8|
Show InChI InChI=1S/C20H12N2O3S2/c23-18-16(21-20(26)22-18)8-14-6-12-2-1-11(7-17(12)27-14)10-3-4-15-13(5-10)9-25-19(15)24/h1-8H,9H2,(H2,21,22,23,26)
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n/an/a 360n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...


Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50361419
PNG
(CHEMBL1934383)
Show SMILES O=C1NC(=S)NC1=Cc1cc2ccc(cc2[nH]1)-c1ccc2C(=O)OCc2c1 |w:6.5,8.8|
Show InChI InChI=1S/C20H13N3O3S/c24-18-17(22-20(27)23-18)8-14-6-12-2-1-11(7-16(12)21-14)10-3-4-15-13(5-10)9-26-19(15)25/h1-8,21H,9H2,(H2,22,23,24,27)
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n/an/a 360n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...


Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50361406
PNG
(CHEMBL1934370)
Show SMILES O=C1NC(=S)NC1=Cc1ccc(cn1)-c1ccc2C(=O)OCc2c1 |w:6.5,8.8|
Show InChI InChI=1S/C17H11N3O3S/c21-15-14(19-17(24)20-15)6-12-3-1-10(7-18-12)9-2-4-13-11(5-9)8-23-16(13)22/h1-7H,8H2,(H2,19,20,21,24)
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n/an/a 370n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...


Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM154518
PNG
(ML395 (6))
Show SMILES O=C(NCCN1CCC2(CC1)N(Cc1cccnc1)CNC2=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H29N5O2/c32-24(23-8-7-21-5-1-2-6-22(21)16-23)28-12-15-30-13-9-26(10-14-30)25(33)29-19-31(26)18-20-4-3-11-27-17-20/h1-8,11,16-17H,9-10,12-15,18-19H2,(H,28,32)(H,29,33)
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n/an/a 380n/an/an/an/an/an/a



Vanderbilt University



Assay Description
Cells were seeded into 12-well tissue culture plates to reach 90% confluence at the time of assay. All cell types, aside from the HEK293-gfpPLD2 cell...


ACS Chem Biol 10: 421-32 (2015)


Article DOI: 10.1021/cb500828m
BindingDB Entry DOI: 10.7270/Q2H70DK8
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50361433
PNG
(CHEMBL1934397)
Show SMILES O=[#6]-1-[#8]-[#6]-c2cc(ccc-12)-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)s1
Show InChI InChI=1S/C17H10N2O4S2/c20-14-12(15(21)19-17(24)18-14)6-10-2-4-13(25-10)8-1-3-11-9(5-8)7-23-16(11)22/h1-6H,7H2,(H2,18,19,20,21,24)
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n/an/a 400n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...


Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50445263
PNG
(CHEMBL3103651)
Show SMILES O=C1NC(=O)\C(N1)=C/c1ccc(s1)-c1ccc2C(=O)NCc2c1
Show InChI InChI=1S/C16H11N3O3S/c20-14-11-3-1-8(5-9(11)7-17-14)13-4-2-10(23-13)6-12-15(21)19-16(22)18-12/h1-6H,7H2,(H,17,20)(H2,18,19,21,22)/b12-6+
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n/an/a 400n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...


J Med Chem 56: 9542-55 (2014)


Article DOI: 10.1021/jm401604x
BindingDB Entry DOI: 10.7270/Q26Q1ZQ3
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50361422
PNG
(CHEMBL1934386)
Show SMILES O=C1NC(=S)NC1=Cc1ccc2cc(ccc2n1)-c1ccc2C(=O)OCc2c1 |w:6.5,8.8|
Show InChI InChI=1S/C21H13N3O3S/c25-19-18(23-21(28)24-19)9-15-4-1-13-7-12(3-6-17(13)22-15)11-2-5-16-14(8-11)10-27-20(16)26/h1-9H,10H2,(H2,23,24,25,28)
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n/an/a 470n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...


Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50361416
PNG
(CHEMBL1934380)
Show SMILES O=C1NC(=S)NC1=Cc1cc2cc(ccc2s1)-c1ccc2C(=O)OCc2c1 |w:6.5,8.8|
Show InChI InChI=1S/C20H12N2O3S2/c23-18-16(21-20(26)22-18)8-14-7-12-5-11(2-4-17(12)27-14)10-1-3-15-13(6-10)9-25-19(15)24/h1-8H,9H2,(H2,21,22,23,26)
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n/an/a 490n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...


Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50445286
PNG
(CHEMBL3103907)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C17H13N3O2S2/c1-20-8-10-6-9(2-4-12(10)16(20)22)14-5-3-11(24-14)7-13-15(21)19-17(23)18-13/h2-7H,8H2,1H3,(H2,18,19,21,23)/b13-7+
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n/an/a 510n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...


J Med Chem 56: 9542-55 (2014)


Article DOI: 10.1021/jm401604x
BindingDB Entry DOI: 10.7270/Q26Q1ZQ3
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50361418
PNG
(CHEMBL1934382)
Show SMILES O=C1NC(=S)NC1=Cc1cc2cc(ccc2o1)-c1ccc2C(=O)OCc2c1 |w:6.5,8.8|
Show InChI InChI=1S/C20H12N2O4S/c23-18-16(21-20(27)22-18)8-14-7-12-5-11(2-4-17(12)26-14)10-1-3-15-13(6-10)9-25-19(15)24/h1-8H,9H2,(H2,21,22,23,27)
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n/an/a 510n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...


Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50445279
PNG
(CHEMBL3103914)
Show SMILES OCCCN1Cc2cc(ccc2C1=O)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C19H17N3O3S2/c23-7-1-6-22-10-12-8-11(2-4-14(12)18(22)25)16-5-3-13(27-16)9-15-17(24)21-19(26)20-15/h2-5,8-9,23H,1,6-7,10H2,(H2,20,21,24,26)/b15-9+
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n/an/a 530n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...


J Med Chem 56: 9542-55 (2014)


Article DOI: 10.1021/jm401604x
BindingDB Entry DOI: 10.7270/Q26Q1ZQ3
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50445276
PNG
(CHEMBL3103917)
Show SMILES CCOC(=O)N1Cc2cc(ccc2C1=O)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C19H15N3O4S2/c1-2-26-19(25)22-9-11-7-10(3-5-13(11)17(22)24)15-6-4-12(28-15)8-14-16(23)21-18(27)20-14/h3-8H,2,9H2,1H3,(H2,20,21,23,27)/b14-8+
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n/an/a 550n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...


J Med Chem 56: 9542-55 (2014)


Article DOI: 10.1021/jm401604x
BindingDB Entry DOI: 10.7270/Q26Q1ZQ3
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50445285
PNG
(CHEMBL3103908)
Show SMILES CCN1Cc2cc(ccc2C1=O)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C18H15N3O2S2/c1-2-21-9-11-7-10(3-5-13(11)17(21)23)15-6-4-12(25-15)8-14-16(22)20-18(24)19-14/h3-8H,2,9H2,1H3,(H2,19,20,22,24)/b14-8+
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n/an/a 600n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...


J Med Chem 56: 9542-55 (2014)


Article DOI: 10.1021/jm401604x
BindingDB Entry DOI: 10.7270/Q26Q1ZQ3
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50445259
PNG
(CHEMBL3103655)
Show SMILES O=C1NC(=S)N\C1=C\c1ccc(cn1)-c1ccc2C(=O)NCc2c1
Show InChI InChI=1S/C17H12N4O2S/c22-15-13-4-2-9(5-11(13)8-19-15)10-1-3-12(18-7-10)6-14-16(23)21-17(24)20-14/h1-7H,8H2,(H,19,22)(H2,20,21,23,24)/b14-6+
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n/an/a 630n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...


J Med Chem 56: 9542-55 (2014)


Article DOI: 10.1021/jm401604x
BindingDB Entry DOI: 10.7270/Q26Q1ZQ3
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50445267
PNG
(CHEMBL3103647)
Show SMILES O=C1NC(=S)N\C1=C\c1ccc(s1)-c1ccc2CCNC(=O)c2c1
Show InChI InChI=1S/C17H13N3O2S2/c21-15-12-7-10(2-1-9(12)5-6-18-15)14-4-3-11(24-14)8-13-16(22)20-17(23)19-13/h1-4,7-8H,5-6H2,(H,18,21)(H2,19,20,22,23)/b13-8+
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n/an/a 640n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...


J Med Chem 56: 9542-55 (2014)


Article DOI: 10.1021/jm401604x
BindingDB Entry DOI: 10.7270/Q26Q1ZQ3
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50137379
PNG
(CHEMBL3754407)
Show SMILES NC(=O)c1ccc(cc1O)-c1ccc(s1)-c1ccc2C(=O)OCc2c1
Show InChI InChI=1S/C19H13NO4S/c20-18(22)14-4-2-11(8-15(14)21)17-6-5-16(25-17)10-1-3-13-12(7-10)9-24-19(13)23/h1-8,21H,9H2,(H2,20,22)
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n/an/a 670n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin (unknown origin) mediated lysis of human Jurkat cells pre-incubated for 30 mins with perforin followed by incubati...


Bioorg Med Chem Lett 26: 355-60 (2016)


BindingDB Entry DOI: 10.7270/Q2B859ZN
More data for this
Ligand-Target Pair
Phospholipase D (PLD)


(Homo sapiens (Human))
BDBM50427801
PNG
(CHEMBL2325483)
Show SMILES C[C@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C23H26F2N4O2/c1-16(27-21(30)17-5-7-18(24)8-6-17)14-28-11-9-23(10-12-28)22(31)26-15-29(23)20-4-2-3-19(25)13-20/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,31)(H,27,30)/t16-/m1/s1
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n/an/a 760n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of PLD1 in human Calu-1 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition measured af...


J Med Chem 56: 2695-9 (2013)


Article DOI: 10.1021/jm301782e
BindingDB Entry DOI: 10.7270/Q2RJ4KT8
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50361400
PNG
(CHEMBL1934364)
Show SMILES O=C1NC(=S)NC1=Cc1ccc(s1)-c1ccc2C(=O)OCc2c1 |w:7.8|
Show InChI InChI=1S/C16H10N2O3S2/c19-14-12(17-16(22)18-14)6-10-2-4-13(23-10)8-1-3-11-9(5-8)7-21-15(11)20/h1-6H,7H2,(H2,17,18,19,22)
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n/an/a 780n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...


Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50445280
PNG
(CHEMBL3103913)
Show SMILES OCCN1Cc2cc(ccc2C1=O)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C18H15N3O3S2/c22-6-5-21-9-11-7-10(1-3-13(11)17(21)24)15-4-2-12(26-15)8-14-16(23)20-18(25)19-14/h1-4,7-8,22H,5-6,9H2,(H2,19,20,23,25)/b14-8+
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n/an/a 780n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...


J Med Chem 56: 9542-55 (2014)


Article DOI: 10.1021/jm401604x
BindingDB Entry DOI: 10.7270/Q26Q1ZQ3
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50445303
PNG
(CHEMBL3102870)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C15H11N3O2S2/c16-13(19)9-3-1-2-8(6-9)12-5-4-10(22-12)7-11-14(20)18-15(21)17-11/h1-7H,(H2,16,19)(H2,17,18,20,21)/b11-7+
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n/an/a 790n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...


J Med Chem 56: 9542-55 (2014)


Article DOI: 10.1021/jm401604x
BindingDB Entry DOI: 10.7270/Q26Q1ZQ3
More data for this
Ligand-Target Pair
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM50427805
PNG
(CHEMBL2325486)
Show SMILES C[C@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C23H26BrFN4O2/c1-16(27-21(30)17-5-7-18(24)8-6-17)14-28-11-9-23(10-12-28)22(31)26-15-29(23)20-4-2-3-19(25)13-20/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,31)(H,27,30)/t16-/m1/s1
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n/an/a 800n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of GFP-tagged PLD2 in human HEK293 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition ...


J Med Chem 56: 2695-9 (2013)


Article DOI: 10.1021/jm301782e
BindingDB Entry DOI: 10.7270/Q2RJ4KT8
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50361432
PNG
(CHEMBL1934396)
Show SMILES O=[#6]-1-[#8]-[#6]-c2cc(ccc-12)-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)s1 |w:13.15|
Show InChI InChI=1S/C17H10N2O5S/c20-14-12(15(21)19-17(23)18-14)6-10-2-4-13(25-10)8-1-3-11-9(5-8)7-24-16(11)22/h1-6H,7H2,(H2,18,19,20,21,23)
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n/an/a 800n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...


Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50361420
PNG
(CHEMBL1934384)
Show SMILES O=C1NC(=S)NC1=Cc1cc2cc(ccc2[nH]1)-c1ccc2C(=O)OCc2c1 |w:6.5,8.8|
Show InChI InChI=1S/C20H13N3O3S/c24-18-17(22-20(27)23-18)8-14-7-12-5-11(2-4-16(12)21-14)10-1-3-15-13(6-10)9-26-19(15)25/h1-8,21H,9H2,(H2,22,23,24,27)
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n/an/a 820n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...


Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50137451
PNG
(CHEMBL3753587)
Show SMILES OCc1ccc(cc1)-c1ccc(s1)-c1ccc2C(=O)OCc2c1
Show InChI InChI=1S/C19H14O3S/c20-10-12-1-3-13(4-2-12)17-7-8-18(23-17)14-5-6-16-15(9-14)11-22-19(16)21/h1-9,20H,10-11H2
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n/an/a 900n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin (unknown origin) mediated lysis of human Jurkat cells pre-incubated for 30 mins with perforin followed by incubati...


Bioorg Med Chem Lett 26: 355-60 (2016)


BindingDB Entry DOI: 10.7270/Q2B859ZN
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50137456
PNG
(CHEMBL3753271)
Show SMILES NC(=O)c1ccc(cn1)-c1ccc(s1)-c1ccc2C(=O)OCc2c1
Show InChI InChI=1S/C18H12N2O3S/c19-17(21)14-4-2-11(8-20-14)16-6-5-15(24-16)10-1-3-13-12(7-10)9-23-18(13)22/h1-8H,9H2,(H2,19,21)
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n/an/a 920n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin (unknown origin) mediated lysis of human Jurkat cells pre-incubated for 30 mins with perforin followed by incubati...


Bioorg Med Chem Lett 26: 355-60 (2016)


BindingDB Entry DOI: 10.7270/Q2B859ZN
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50445277
PNG
(CHEMBL3103916)
Show SMILES CC(=O)N1Cc2cc(ccc2C1=O)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C18H13N3O3S2/c1-9(22)21-8-11-6-10(2-4-13(11)17(21)24)15-5-3-12(26-15)7-14-16(23)20-18(25)19-14/h2-7H,8H2,1H3,(H2,19,20,23,25)/b14-7+
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n/an/a 930n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...


J Med Chem 56: 9542-55 (2014)


Article DOI: 10.1021/jm401604x
BindingDB Entry DOI: 10.7270/Q26Q1ZQ3
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50275059
PNG
((Z)-1-(Benzo[b]thiophen-3-ylmethylene)-6-methyl-4-...)
Show SMILES Cc1cc2\C(OC(=O)c2c(=S)[nH]1)=C\c1csc2ccccc12
Show InChI InChI=1S/C17H11NO2S2/c1-9-6-12-13(20-17(19)15(12)16(21)18-9)7-10-8-22-14-5-3-2-4-11(10)14/h2-8H,1H3,(H,18,21)/b13-7-
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n/an/a 970n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin (unknown origin)-mediated lysis of human Jurkat T cells by 51Cr release assay


J Med Chem 51: 7614-24 (2009)


Article DOI: 10.1021/jm801063n
BindingDB Entry DOI: 10.7270/Q24F1QK1
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50275059
PNG
((Z)-1-(Benzo[b]thiophen-3-ylmethylene)-6-methyl-4-...)
Show SMILES Cc1cc2\C(OC(=O)c2c(=S)[nH]1)=C\c1csc2ccccc12
Show InChI InChI=1S/C17H11NO2S2/c1-9-6-12-13(20-17(19)15(12)16(21)18-9)7-10-8-22-14-5-3-2-4-11(10)14/h2-8H,1H3,(H,18,21)/b13-7-
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n/an/a 970n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin mediated lysis of human Jurkat cells pre-incubated for 30 mins with perforin followed by incubation with Jurkat ce...


Bioorg Med Chem 19: 4091-100 (2011)


Article DOI: 10.1016/j.bmc.2011.05.013
BindingDB Entry DOI: 10.7270/Q2W66M48
More data for this
Ligand-Target Pair
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