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Compile Data Set for Download or QSAR

Found 12 hits of affinity data for UniProtKB/TrEMBL: P53816   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phospholipase A and acyltransferase 3


(Homo sapiens)
BDBM50544595
PNG
(CHEMBL4639199)
Show SMILES FC(F)(F)c1ccc(Oc2ccc(CCNC(=O)C(=O)CCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C25H23F3N2O3/c26-25(27,28)20-11-14-23(30-17-20)33-21-12-9-19(10-13-21)15-16-29-24(32)22(31)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-14,17H,4,7-8,15-16H2,(H,29,32)
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n/an/a 100n/an/an/an/an/an/a



Leiden University & Oncode Institute

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal FLAG-tagged human PLAAT3 expressed in HEK293T cell lysate preincubated for 30 mins followed by MB064 addition an...


J Med Chem 63: 9340-9359 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00522
More data for this
Ligand-Target Pair
Phospholipase A and acyltransferase 3


(Homo sapiens)
BDBM50544576
PNG
(CHEMBL4633449)
Show SMILES Clc1ccc(CCC(=O)C(=O)NCCc2ccccc2)cc1Cl
Show InChI InChI=1S/C18H17Cl2NO2/c19-15-8-6-14(12-16(15)20)7-9-17(22)18(23)21-11-10-13-4-2-1-3-5-13/h1-6,8,12H,7,9-11H2,(H,21,23)
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n/an/a 100n/an/an/an/an/an/a



Leiden University & Oncode Institute

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal FLAG-tagged human PLAAT3 expressed in HEK293T cell lysate preincubated for 30 mins followed by MB064 addition an...


J Med Chem 63: 9340-9359 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00522
More data for this
Ligand-Target Pair
Phospholipase A and acyltransferase 3


(Homo sapiens)
BDBM50544583
PNG
(CHEMBL4639242)
Show SMILES Cc1ccc(CCNC(=O)C(=O)CCCc2ccccc2)cc1
Show InChI InChI=1S/C20H23NO2/c1-16-10-12-18(13-11-16)14-15-21-20(23)19(22)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-13H,5,8-9,14-15H2,1H3,(H,21,23)
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n/an/a 126n/an/an/an/an/an/a



Leiden University & Oncode Institute

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal FLAG-tagged human PLAAT3 expressed in HEK293T cell lysate preincubated for 30 mins followed by MB064 addition an...


J Med Chem 63: 9340-9359 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00522
More data for this
Ligand-Target Pair
Phospholipase A and acyltransferase 3


(Homo sapiens)
BDBM50544594
PNG
(CHEMBL4649677)
Show SMILES FC(F)(F)c1ccc(Oc2ccc(CCNC(=O)C(=O)CCCc3ccccc3)cc2)cn1
Show InChI InChI=1S/C25H23F3N2O3/c26-25(27,28)23-14-13-21(17-30-23)33-20-11-9-19(10-12-20)15-16-29-24(32)22(31)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-14,17H,4,7-8,15-16H2,(H,29,32)
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n/an/a 158n/an/an/an/an/an/a



Leiden University & Oncode Institute

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal FLAG-tagged human PLAAT3 expressed in HEK293T cell lysate preincubated for 30 mins followed by MB064 addition an...


J Med Chem 63: 9340-9359 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00522
More data for this
Ligand-Target Pair
Phospholipase A and acyltransferase 3


(Homo sapiens)
BDBM50544587
PNG
(CHEMBL4639478)
Show SMILES Brc1ccc(CCNC(=O)C(=O)CCCc2ccccc2)cc1
Show InChI InChI=1S/C19H20BrNO2/c20-17-11-9-16(10-12-17)13-14-21-19(23)18(22)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8,13-14H2,(H,21,23)
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n/an/a 158n/an/an/an/an/an/a



Leiden University & Oncode Institute

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal FLAG-tagged human PLAAT3 expressed in HEK293T cell lysate preincubated for 30 mins followed by MB064 addition an...


J Med Chem 63: 9340-9359 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00522
More data for this
Ligand-Target Pair
Phospholipase A and acyltransferase 3


(Homo sapiens)
BDBM50544588
PNG
(CHEMBL4641977)
Show SMILES Clc1cccc(CCNC(=O)C(=O)CCCc2ccccc2)c1
Show InChI InChI=1S/C19H20ClNO2/c20-17-10-4-9-16(14-17)12-13-21-19(23)18(22)11-5-8-15-6-2-1-3-7-15/h1-4,6-7,9-10,14H,5,8,11-13H2,(H,21,23)
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n/an/a 200n/an/an/an/an/an/a



Leiden University & Oncode Institute

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal FLAG-tagged human PLAAT3 expressed in HEK293T cell lysate preincubated for 30 mins followed by MB064 addition an...


J Med Chem 63: 9340-9359 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00522
More data for this
Ligand-Target Pair
Phospholipase A and acyltransferase 3


(Homo sapiens)
BDBM50544590
PNG
(CHEMBL4643099)
Show SMILES Clc1ccc(CCNC(=O)C(=O)CCCc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C19H19Cl2NO2/c20-16-10-9-15(17(21)13-16)11-12-22-19(24)18(23)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-10,13H,4,7-8,11-12H2,(H,22,24)
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n/an/a 251n/an/an/an/an/an/a



Leiden University & Oncode Institute

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal FLAG-tagged human PLAAT3 expressed in HEK293T cell lysate preincubated for 30 mins followed by MB064 addition an...


J Med Chem 63: 9340-9359 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00522
More data for this
Ligand-Target Pair
Phospholipase A and acyltransferase 3


(Homo sapiens)
BDBM50544591
PNG
(CHEMBL4643782)
Show SMILES O=C(CCCc1ccccc1)C(=O)NCCc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H25NO3/c27-24(13-7-10-20-8-3-1-4-9-20)25(28)26-19-18-21-14-16-23(17-15-21)29-22-11-5-2-6-12-22/h1-6,8-9,11-12,14-17H,7,10,13,18-19H2,(H,26,28)
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n/an/a 251n/an/an/an/an/an/a



Leiden University & Oncode Institute

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal FLAG-tagged human PLAAT3 expressed in HEK293T cell lysate preincubated for 30 mins followed by MB064 addition an...


J Med Chem 63: 9340-9359 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00522
More data for this
Ligand-Target Pair
Phospholipase A and acyltransferase 3


(Homo sapiens)
BDBM50544592
PNG
(CHEMBL4644464)
Show SMILES O=C(CCCc1ccccc1)C(=O)NCCc1ccc(Oc2cnccn2)cc1
Show InChI InChI=1S/C23H23N3O3/c27-21(8-4-7-18-5-2-1-3-6-18)23(28)26-14-13-19-9-11-20(12-10-19)29-22-17-24-15-16-25-22/h1-3,5-6,9-12,15-17H,4,7-8,13-14H2,(H,26,28)
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n/an/a 251n/an/an/an/an/an/a



Leiden University & Oncode Institute

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal FLAG-tagged human PLAAT3 expressed in HEK293T cell lysate preincubated for 30 mins followed by MB064 addition an...


J Med Chem 63: 9340-9359 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00522
More data for this
Ligand-Target Pair
Phospholipase A and acyltransferase 3


(Homo sapiens)
BDBM50544596
PNG
(CHEMBL4636806)
Show SMILES Clc1nccc(Oc2ccc(CCNC(=O)C(=O)CCCc3ccccc3)cc2)n1
Show InChI InChI=1S/C23H22ClN3O3/c24-23-26-16-14-21(27-23)30-19-11-9-18(10-12-19)13-15-25-22(29)20(28)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-12,14,16H,4,7-8,13,15H2,(H,25,29)
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n/an/a 251n/an/an/an/an/an/a



Leiden University & Oncode Institute

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal FLAG-tagged human PLAAT3 expressed in HEK293T cell lysate preincubated for 30 mins followed by MB064 addition an...


J Med Chem 63: 9340-9359 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00522
More data for this
Ligand-Target Pair
Phospholipase A and acyltransferase 3


(Homo sapiens)
BDBM50544565
PNG
(CHEMBL4645342)
Show SMILES O=C(CCCc1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C19H21NO2/c21-18(13-7-12-16-8-3-1-4-9-16)19(22)20-15-14-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,20,22)
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n/an/a 398n/an/an/an/an/an/a



Leiden University & Oncode Institute

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal FLAG-tagged human PLAAT3 expressed in HEK293T cell lysate preincubated for 30 mins followed by MB064 addition an...


J Med Chem 63: 9340-9359 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00522
More data for this
Ligand-Target Pair
Phospholipase A and acyltransferase 3


(Homo sapiens)
BDBM50544584
PNG
(CHEMBL4636379)
Show SMILES COc1ccc(CCNC(=O)C(=O)CCCc2ccccc2)cc1
Show InChI InChI=1S/C20H23NO3/c1-24-18-12-10-17(11-13-18)14-15-21-20(23)19(22)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-13H,5,8-9,14-15H2,1H3,(H,21,23)
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n/an/a 794n/an/an/an/an/an/a



Leiden University & Oncode Institute

Curated by ChEMBL


Assay Description
Inhibition of full-length C-terminal FLAG-tagged human PLAAT3 expressed in HEK293T cell lysate preincubated for 30 mins followed by MB064 addition an...


J Med Chem 63: 9340-9359 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00522
More data for this
Ligand-Target Pair