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Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylserine lipase ABHD16A' AND taxid = 9606   
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
Phosphatidylserine lipase ABHD16A


(Homo sapiens (Human))
BDBM24567
PNG
((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|
Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant BAT5 transfected in HEK293T cells by SDS-PAGE using rhodamine-tagged FP probe


Bioorg Med Chem Lett 18: 5838-41 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.091
BindingDB Entry DOI: 10.7270/Q2XK8GGZ
More data for this
Ligand-Target Pair
Phosphatidylserine lipase ABHD16A


(Homo sapiens (Human))
BDBM50507489
PNG
(CHEMBL4564841)
Show SMILES COc1nn(-c2ccc(F)cc2)c(=O)o1
Show InChI InChI=1S/C9H7FN2O3/c1-14-8-11-12(9(13)15-8)7-4-2-6(10)3-5-7/h2-5H,1H3
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UniChem
Article
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n/an/a 32n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of ABHD16A (unknown origin)


ACS Med Chem Lett 9: 1269-1273 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00442
BindingDB Entry DOI: 10.7270/Q2KH0RM7
More data for this
Ligand-Target Pair
Phosphatidylserine lipase ABHD16A


(Homo sapiens (Human))
BDBM50336546
PNG
(CHEMBL1673415 | Palmostatin B)
Show SMILES CCCCCCCCCC[C@H]1[C@H](CCc2ccc(OC)c(OC)c2)OC1=O |r|
Show InChI InChI=1S/C23H36O4/c1-4-5-6-7-8-9-10-11-12-19-20(27-23(19)24)15-13-18-14-16-21(25-2)22(17-18)26-3/h14,16-17,19-20H,4-13,15H2,1-3H3/t19-,20-/m0/s1
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n/an/a 57n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Reversible inhibition of human ABHD16A expressed in HEK293 cells preincubated for 30 mins followed by 40 fold compound dilution and subsequent 1-LG s...


ACS Med Chem Lett 9: 1269-1273 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00442
BindingDB Entry DOI: 10.7270/Q2KH0RM7
More data for this
Ligand-Target Pair
Phosphatidylserine lipase ABHD16A


(Homo sapiens (Human))
BDBM195603
PNG
(KC01)
Show SMILES CCCCCCCCCCCCCC1OC(=O)\C1=C/CCCCC(N)=O
Show InChI InChI=1S/C22H39NO3/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-19(22(25)26-20)16-13-12-15-18-21(23)24/h16,20H,2-15,17-18H2,1H3,(H2,23,24)/b19-16-
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n/an/a 90n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of ABHD16A (unknown origin)


ACS Med Chem Lett 9: 1269-1273 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00442
BindingDB Entry DOI: 10.7270/Q2KH0RM7
More data for this
Ligand-Target Pair
Phosphatidylserine lipase ABHD16A


(Homo sapiens (Human))
BDBM50336546
PNG
(CHEMBL1673415 | Palmostatin B)
Show SMILES CCCCCCCCCC[C@H]1[C@H](CCc2ccc(OC)c(OC)c2)OC1=O |r|
Show InChI InChI=1S/C23H36O4/c1-4-5-6-7-8-9-10-11-12-19-20(27-23(19)24)15-13-18-14-16-21(25-2)22(17-18)26-3/h14,16-17,19-20H,4-13,15H2,1-3H3/t19-,20-/m0/s1
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n/an/a 99n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human ABHD16A expressed in HEK293 cells preincubated for 30 mins followed by 1-LG substrate addition and measured after 90 to 120 mins ...


ACS Med Chem Lett 9: 1269-1273 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00442
BindingDB Entry DOI: 10.7270/Q2KH0RM7
More data for this
Ligand-Target Pair
Phosphatidylserine lipase ABHD16A


(Homo sapiens (Human))
BDBM50336546
PNG
(CHEMBL1673415 | Palmostatin B)
Show SMILES CCCCCCCCCC[C@H]1[C@H](CCc2ccc(OC)c(OC)c2)OC1=O |r|
Show InChI InChI=1S/C23H36O4/c1-4-5-6-7-8-9-10-11-12-19-20(27-23(19)24)15-13-18-14-16-21(25-2)22(17-18)26-3/h14,16-17,19-20H,4-13,15H2,1-3H3/t19-,20-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of ABHD16A (unknown origin)


ACS Med Chem Lett 9: 1269-1273 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00442
BindingDB Entry DOI: 10.7270/Q2KH0RM7
More data for this
Ligand-Target Pair
Phosphatidylserine lipase ABHD16A


(Homo sapiens (Human))
BDBM24567
PNG
((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|
Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of ABHD16A (unknown origin)


ACS Med Chem Lett 9: 1269-1273 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00442
BindingDB Entry DOI: 10.7270/Q2KH0RM7
More data for this
Ligand-Target Pair
Phosphatidylserine lipase ABHD16A


(Homo sapiens (Human))
BDBM50507488
PNG
(CHEMBL4585683)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)OC)-c1csc(C)n1 |r|
Show InChI InChI=1S/C25H33NO2S/c1-15(2)18-12-17-8-9-22-24(4,10-7-11-25(22,5)23(27)28-6)20(17)13-19(18)21-14-29-16(3)26-21/h12-15,22H,7-11H2,1-6H3/t22-,24-,25-/m1/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human ABHD16A expressed in HEK293 cells preincubated for 30 mins followed by 1-LG substrate addition and measured after 90 to 120 mins ...


ACS Med Chem Lett 9: 1269-1273 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00442
BindingDB Entry DOI: 10.7270/Q2KH0RM7
More data for this
Ligand-Target Pair
Phosphatidylserine lipase ABHD16A


(Homo sapiens (Human))
BDBM50507487
PNG
(CHEMBL4591378)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)OC)-c1csc(n1)C#N |r|
Show InChI InChI=1S/C25H30N2O2S/c1-15(2)17-11-16-7-8-21-24(3,9-6-10-25(21,4)23(28)29-5)19(16)12-18(17)20-14-30-22(13-26)27-20/h11-12,14-15,21H,6-10H2,1-5H3/t21-,24-,25-/m1/s1
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UniChem
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n/an/a 4.90E+3n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human ABHD16A expressed in HEK293 cells preincubated for 30 mins followed by 1-LG substrate addition and measured after 90 to 120 mins ...


ACS Med Chem Lett 9: 1269-1273 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00442
BindingDB Entry DOI: 10.7270/Q2KH0RM7
More data for this
Ligand-Target Pair
Phosphatidylserine lipase ABHD16A


(Homo sapiens (Human))
BDBM50240877
PNG
(CHEMBL158897 | Quinolyl derivatives | cyclohexanon...)
Show SMILES O=[#6](-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#8]\[#7]=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#8]\[#7]=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C20H34N4O4/c25-19(27-23-17-11-5-3-6-12-17)21-15-9-1-2-10-16-22-20(26)28-24-18-13-7-4-8-14-18/h1-16H2,(H,21,25)(H,22,26)
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n/an/a 2.30E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant BAT5 transfected in HEK293T cells by SDS-PAGE using rhodamine-tagged FP probe


Bioorg Med Chem Lett 18: 5838-41 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.091
BindingDB Entry DOI: 10.7270/Q2XK8GGZ
More data for this
Ligand-Target Pair
Phosphatidylserine lipase ABHD16A


(Homo sapiens (Human))
BDBM50507487
PNG
(CHEMBL4591378)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)OC)-c1csc(n1)C#N |r|
Show InChI InChI=1S/C25H30N2O2S/c1-15(2)17-11-16-7-8-21-24(3,9-6-10-25(21,4)23(28)29-5)19(16)12-18(17)20-14-30-22(13-26)27-20/h11-12,14-15,21H,6-10H2,1-5H3/t21-,24-,25-/m1/s1
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n/an/a 3.16E+4n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Reversible inhibition of human ABHD16A expressed in HEK293 cells preincubated for 30 mins followed by 40 fold compound dilution and subsequent 1-LG s...


ACS Med Chem Lett 9: 1269-1273 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00442
BindingDB Entry DOI: 10.7270/Q2KH0RM7
More data for this
Ligand-Target Pair
Phosphatidylserine lipase ABHD16A


(Homo sapiens (Human))
BDBM50507488
PNG
(CHEMBL4585683)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)OC)-c1csc(C)n1 |r|
Show InChI InChI=1S/C25H33NO2S/c1-15(2)18-12-17-8-9-22-24(4,10-7-11-25(22,5)23(27)28-6)20(17)13-19(18)21-14-29-16(3)26-21/h12-15,22H,7-11H2,1-6H3/t22-,24-,25-/m1/s1
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n/an/a 4.11E+4n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Reversible inhibition of human ABHD16A expressed in HEK293 cells preincubated for 30 mins followed by 40 fold compound dilution and subsequent 1-LG s...


ACS Med Chem Lett 9: 1269-1273 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00442
BindingDB Entry DOI: 10.7270/Q2KH0RM7
More data for this
Ligand-Target Pair