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Compile Data Set for Download or QSAR

Found 6 hits of ic50 for monomerid = 50336546   
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
Acyl-protein thioesterase 1


(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 5.40n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of APT1 (unknown origin)


Medchemcomm 5: 268-276 (2014)


Article DOI: 10.1039/c3md00333g
BindingDB Entry DOI: 10.7270/Q2TX3JBM
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 2


(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 38n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of APT2 (unknown origin)


Medchemcomm 5: 268-276 (2014)


Article DOI: 10.1039/c3md00333g
BindingDB Entry DOI: 10.7270/Q2TX3JBM
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))
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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CHEMBL
MCE
PC cid
PC sid
UniChem
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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
Acyl-protein thioesterase 1


(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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CHEMBL
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 670n/an/an/an/an/an/a



Groningen Research Institute of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of APT1


Bioorg Med Chem 19: 1376-80 (2011)


Article DOI: 10.1016/j.bmc.2010.11.025
BindingDB Entry DOI: 10.7270/Q2HX1D0X
More data for this
Ligand-Target Pair