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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Phospholipase D1' and Ligand = 'BDBM123744'   
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))
BDBM123744
PNG
(5-Fluoro-N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imi...)
Show SMILES Fc1ccc2[nH]c(cc2c1)C(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C23H24FN5O2/c24-16-5-6-18-15(13-16)14-20(26-18)22(30)25-9-12-28-10-7-17(8-11-28)29-21-4-2-1-3-19(21)27-23(29)31/h1-6,13-14,17,26H,7-12H2,(H,25,30)(H,27,31)
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n/an/a 9.5n/an/an/an/an/a37



Vanderbilt University



Assay Description
PLD in vitro enzymatic assay using phospholipase D1(PLD1).


Nat Chem Biol 5: 108-17 (2009)


Article DOI: 10.1038/nchembio.140
BindingDB Entry DOI: 10.7270/Q2D50KBK
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))
BDBM123744
PNG
(5-Fluoro-N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imi...)
Show SMILES Fc1ccc2[nH]c(cc2c1)C(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C23H24FN5O2/c24-16-5-6-18-15(13-16)14-20(26-18)22(30)25-9-12-28-10-7-17(8-11-28)29-21-4-2-1-3-19(21)27-23(29)31/h1-6,13-14,17,26H,7-12H2,(H,25,30)(H,27,31)
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Article
PubMed
n/an/a 17n/an/an/an/an/a37



Vanderbilt University



Assay Description
PLD in vitro enzymatic assay using phospholipase D2(PLD2).


Nat Chem Biol 5: 108-17 (2009)


Article DOI: 10.1038/nchembio.140
BindingDB Entry DOI: 10.7270/Q2D50KBK
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))
BDBM123744
PNG
(5-Fluoro-N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imi...)
Show SMILES Fc1ccc2[nH]c(cc2c1)C(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C23H24FN5O2/c24-16-5-6-18-15(13-16)14-20(26-18)22(30)25-9-12-28-10-7-17(8-11-28)29-21-4-2-1-3-19(21)27-23(29)31/h1-6,13-14,17,26H,7-12H2,(H,25,30)(H,27,31)
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PubMed
n/an/a 25n/an/an/an/an/a37



University of Massachusetts Boston



Assay Description
PLD enzymes (50 nM) were reconstituted with phospholipid vesicle substrates. All assays were performed at 37 C with agitation for 30 min. Reactions...


Chem Biol Drug Des 84: 270-81 (2014)


Article DOI: 10.1111/cbdd.12319
BindingDB Entry DOI: 10.7270/Q2HT2N05
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))
BDBM123744
PNG
(5-Fluoro-N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imi...)
Show SMILES Fc1ccc2[nH]c(cc2c1)C(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C23H24FN5O2/c24-16-5-6-18-15(13-16)14-20(26-18)22(30)25-9-12-28-10-7-17(8-11-28)29-21-4-2-1-3-19(21)27-23(29)31/h1-6,13-14,17,26H,7-12H2,(H,25,30)(H,27,31)
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PubMed
n/an/a 33n/an/an/an/an/a37



Vanderbilt University



Assay Description
Phopholipase D1(PLD)enzymatic inhibition assay using PLD1.d311


Nat Chem Biol 5: 108-17 (2009)


Article DOI: 10.1038/nchembio.140
BindingDB Entry DOI: 10.7270/Q2D50KBK
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))
BDBM123744
PNG
(5-Fluoro-N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imi...)
Show SMILES Fc1ccc2[nH]c(cc2c1)C(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C23H24FN5O2/c24-16-5-6-18-15(13-16)14-20(26-18)22(30)25-9-12-28-10-7-17(8-11-28)29-21-4-2-1-3-19(21)27-23(29)31/h1-6,13-14,17,26H,7-12H2,(H,25,30)(H,27,31)
PDB

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CHEMBL
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Article
PubMed
n/an/an/an/a 44n/an/an/a37



Vanderbilt University



Assay Description
cell-based assay using HEK293-gfpPLD2 cell line


Nat Chem Biol 5: 108-17 (2009)


Article DOI: 10.1038/nchembio.140
BindingDB Entry DOI: 10.7270/Q2D50KBK
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))
BDBM123744
PNG
(5-Fluoro-N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imi...)
Show SMILES Fc1ccc2[nH]c(cc2c1)C(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C23H24FN5O2/c24-16-5-6-18-15(13-16)14-20(26-18)22(30)25-9-12-28-10-7-17(8-11-28)29-21-4-2-1-3-19(21)27-23(29)31/h1-6,13-14,17,26H,7-12H2,(H,25,30)(H,27,31)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
MCE
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 1n/an/an/a37



Vanderbilt University



Assay Description
cell-based assay using human non-small-cell lung cancer cell line, Calu-1


Nat Chem Biol 5: 108-17 (2009)


Article DOI: 10.1038/nchembio.140
BindingDB Entry DOI: 10.7270/Q2D50KBK
More data for this
Ligand-Target Pair