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Compile Data Set for Download or QSAR

Found 252 hits Enz. Inhib. hit(s) with Target = 'Acyl-protein thioesterase 1'   
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


(Rattus norvegicus)
BDBM50543969
PNG
(CHEMBL4640030)
Show SMILES CC(=O)NCC(=O)N1CCC[C@@H]1B(O)O |r|
Show InChI InChI=1S/C8H15BN2O4/c1-6(12)10-5-8(13)11-4-2-3-7(11)9(14)15/h7,14-15H,2-5H2,1H3,(H,10,12)/t7-/m1/s1
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23n/an/an/an/an/an/an/an/a



Peking University First Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal FLAG-tagged FAP (unknown origin) (38 to 760 residues) expressed in HEK293 cells using AMCC as substrate by fluor...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127253
BindingDB Entry DOI: 10.7270/Q2N87FC7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1 [I75L,S82A,Q83P,R149H,A150R,S151A]


(Homo sapiens (Human))
BDBM207992
PNG
(ML349)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2CS(=O)(=O)c3ccccc3-c2s1
Show InChI InChI=1S/C23H22N2O4S2/c1-29-18-8-6-17(7-9-18)24-10-12-25(13-11-24)23(26)20-14-16-15-31(27,28)21-5-3-2-4-19(21)22(16)30-20/h2-9,14H,10-13,15H2,1H3
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180n/an/an/an/an/an/a6.5n/a



University of Michigan



Assay Description
Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of...


ACS Chem Biol 11: 3374-3382 (2016)


Article DOI: 10.1021/acschembio.6b00720
BindingDB Entry DOI: 10.7270/Q29K492D
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Homo sapiens (Human))
BDBM207991
PNG
(ML348)
Show SMILES FC(F)(F)c1ccc(Cl)c(NC(=O)CN2CCN(CC2)C(=O)c2ccco2)c1
Show InChI InChI=1S/C18H17ClF3N3O3/c19-13-4-3-12(18(20,21)22)10-14(13)23-16(26)11-24-5-7-25(8-6-24)17(27)15-2-1-9-28-15/h1-4,9-10H,5-8,11H2,(H,23,26)
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280n/an/an/an/an/an/a6.5n/a



University of Michigan



Assay Description
Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of...


ACS Chem Biol 11: 3374-3382 (2016)


Article DOI: 10.1021/acschembio.6b00720
BindingDB Entry DOI: 10.7270/Q29K492D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acyl-protein thioesterase 1 [I75L,S82A]


(Homo sapiens (Human))
BDBM207992
PNG
(ML349)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2CS(=O)(=O)c3ccccc3-c2s1
Show InChI InChI=1S/C23H22N2O4S2/c1-29-18-8-6-17(7-9-18)24-10-12-25(13-11-24)23(26)20-14-16-15-31(27,28)21-5-3-2-4-19(21)22(16)30-20/h2-9,14H,10-13,15H2,1H3
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280n/an/an/an/an/an/a6.5n/a



University of Michigan



Assay Description
Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of...


ACS Chem Biol 11: 3374-3382 (2016)


Article DOI: 10.1021/acschembio.6b00720
BindingDB Entry DOI: 10.7270/Q29K492D
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Homo sapiens (Human))
BDBM207991
PNG
(ML348)
Show SMILES FC(F)(F)c1ccc(Cl)c(NC(=O)CN2CCN(CC2)C(=O)c2ccco2)c1
Show InChI InChI=1S/C18H17ClF3N3O3/c19-13-4-3-12(18(20,21)22)10-14(13)23-16(26)11-24-5-7-25(8-6-24)17(27)15-2-1-9-28-15/h1-4,9-10H,5-8,11H2,(H,23,26)
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300n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of APT1 (unknown origin) by FluPol-ABPP assay


Medchemcomm 5: 268-276 (2014)


Article DOI: 10.1039/c3md00333g
BindingDB Entry DOI: 10.7270/Q2TX3JBM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acyl-protein thioesterase 1 [L176M]


(Homo sapiens (Human))
BDBM207991
PNG
(ML348)
Show SMILES FC(F)(F)c1ccc(Cl)c(NC(=O)CN2CCN(CC2)C(=O)c2ccco2)c1
Show InChI InChI=1S/C18H17ClF3N3O3/c19-13-4-3-12(18(20,21)22)10-14(13)23-16(26)11-24-5-7-25(8-6-24)17(27)15-2-1-9-28-15/h1-4,9-10H,5-8,11H2,(H,23,26)
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340n/an/an/an/an/an/a6.5n/a



University of Michigan



Assay Description
Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of...


ACS Chem Biol 11: 3374-3382 (2016)


Article DOI: 10.1021/acschembio.6b00720
BindingDB Entry DOI: 10.7270/Q29K492D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acyl-protein thioesterase 1 [Q83P]


(Homo sapiens (Human))
BDBM207991
PNG
(ML348)
Show SMILES FC(F)(F)c1ccc(Cl)c(NC(=O)CN2CCN(CC2)C(=O)c2ccco2)c1
Show InChI InChI=1S/C18H17ClF3N3O3/c19-13-4-3-12(18(20,21)22)10-14(13)23-16(26)11-24-5-7-25(8-6-24)17(27)15-2-1-9-28-15/h1-4,9-10H,5-8,11H2,(H,23,26)
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370n/an/an/an/an/an/a6.5n/a



University of Michigan



Assay Description
Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of...


ACS Chem Biol 11: 3374-3382 (2016)


Article DOI: 10.1021/acschembio.6b00720
BindingDB Entry DOI: 10.7270/Q29K492D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acyl-protein thioesterase 1 [I75L]


(Homo sapiens (Human))
BDBM207992
PNG
(ML349)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2CS(=O)(=O)c3ccccc3-c2s1
Show InChI InChI=1S/C23H22N2O4S2/c1-29-18-8-6-17(7-9-18)24-10-12-25(13-11-24)23(26)20-14-16-15-31(27,28)21-5-3-2-4-19(21)22(16)30-20/h2-9,14H,10-13,15H2,1H3
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370n/an/an/an/an/an/a6.5n/a



University of Michigan



Assay Description
Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of...


ACS Chem Biol 11: 3374-3382 (2016)


Article DOI: 10.1021/acschembio.6b00720
BindingDB Entry DOI: 10.7270/Q29K492D
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Homo sapiens (Human))
BDBM50496627
PNG
(CHEMBL3133032)
Show SMILES CN(C)CCOB(c1ccccc1)c1ccc(COCc2ccc(cc2)B(OCCN(C)C)c2ccccc2)cc1
Show InChI InChI=1S/C34H42B2N2O3/c1-37(2)23-25-40-35(31-11-7-5-8-12-31)33-19-15-29(16-20-33)27-39-28-30-17-21-34(22-18-30)36(41-26-24-38(3)4)32-13-9-6-10-14-32/h5-22H,23-28H2,1-4H3
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990n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of APT1 (unknown origin) by enzyme kinetic assay


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 1 [I75L,S82A]


(Homo sapiens (Human))
BDBM207991
PNG
(ML348)
Show SMILES FC(F)(F)c1ccc(Cl)c(NC(=O)CN2CCN(CC2)C(=O)c2ccco2)c1
Show InChI InChI=1S/C18H17ClF3N3O3/c19-13-4-3-12(18(20,21)22)10-14(13)23-16(26)11-24-5-7-25(8-6-24)17(27)15-2-1-9-28-15/h1-4,9-10H,5-8,11H2,(H,23,26)
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1.20E+3n/an/an/an/an/an/a6.5n/a



University of Michigan



Assay Description
Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of...


ACS Chem Biol 11: 3374-3382 (2016)


Article DOI: 10.1021/acschembio.6b00720
BindingDB Entry DOI: 10.7270/Q29K492D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acyl-protein thioesterase 1 [I75L,S82A,Q83P]


(Homo sapiens (Human))
BDBM207992
PNG
(ML349)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2CS(=O)(=O)c3ccccc3-c2s1
Show InChI InChI=1S/C23H22N2O4S2/c1-29-18-8-6-17(7-9-18)24-10-12-25(13-11-24)23(26)20-14-16-15-31(27,28)21-5-3-2-4-19(21)22(16)30-20/h2-9,14H,10-13,15H2,1H3
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1.20E+3n/an/an/an/an/an/a6.5n/a



University of Michigan



Assay Description
Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of...


ACS Chem Biol 11: 3374-3382 (2016)


Article DOI: 10.1021/acschembio.6b00720
BindingDB Entry DOI: 10.7270/Q29K492D
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1 [I75L]


(Homo sapiens (Human))
BDBM207991
PNG
(ML348)
Show SMILES FC(F)(F)c1ccc(Cl)c(NC(=O)CN2CCN(CC2)C(=O)c2ccco2)c1
Show InChI InChI=1S/C18H17ClF3N3O3/c19-13-4-3-12(18(20,21)22)10-14(13)23-16(26)11-24-5-7-25(8-6-24)17(27)15-2-1-9-28-15/h1-4,9-10H,5-8,11H2,(H,23,26)
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2.20E+3n/an/an/an/an/an/a6.5n/a



University of Michigan



Assay Description
Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of...


ACS Chem Biol 11: 3374-3382 (2016)


Article DOI: 10.1021/acschembio.6b00720
BindingDB Entry DOI: 10.7270/Q29K492D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acyl-protein thioesterase 1 [I75L,S82A,Q83P]


(Homo sapiens (Human))
BDBM207991
PNG
(ML348)
Show SMILES FC(F)(F)c1ccc(Cl)c(NC(=O)CN2CCN(CC2)C(=O)c2ccco2)c1
Show InChI InChI=1S/C18H17ClF3N3O3/c19-13-4-3-12(18(20,21)22)10-14(13)23-16(26)11-24-5-7-25(8-6-24)17(27)15-2-1-9-28-15/h1-4,9-10H,5-8,11H2,(H,23,26)
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>1.00E+4n/an/an/an/an/an/a6.5n/a



University of Michigan



Assay Description
Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of...


ACS Chem Biol 11: 3374-3382 (2016)


Article DOI: 10.1021/acschembio.6b00720
BindingDB Entry DOI: 10.7270/Q29K492D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acyl-protein thioesterase 1 [I75L,S82A,Q83P,R149H,A150R,S151A]


(Homo sapiens (Human))
BDBM207991
PNG
(ML348)
Show SMILES FC(F)(F)c1ccc(Cl)c(NC(=O)CN2CCN(CC2)C(=O)c2ccco2)c1
Show InChI InChI=1S/C18H17ClF3N3O3/c19-13-4-3-12(18(20,21)22)10-14(13)23-16(26)11-24-5-7-25(8-6-24)17(27)15-2-1-9-28-15/h1-4,9-10H,5-8,11H2,(H,23,26)
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>1.00E+4n/an/an/an/an/an/a6.5n/a



University of Michigan



Assay Description
Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of...


ACS Chem Biol 11: 3374-3382 (2016)


Article DOI: 10.1021/acschembio.6b00720
BindingDB Entry DOI: 10.7270/Q29K492D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acyl-protein thioesterase 1


(Homo sapiens (Human))
BDBM207992
PNG
(ML349)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2CS(=O)(=O)c3ccccc3-c2s1
Show InChI InChI=1S/C23H22N2O4S2/c1-29-18-8-6-17(7-9-18)24-10-12-25(13-11-24)23(26)20-14-16-15-31(27,28)21-5-3-2-4-19(21)22(16)30-20/h2-9,14H,10-13,15H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of APT1 (unknown origin) by FluPol-ABPP assay


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 1


(Homo sapiens (Human))
BDBM207992
PNG
(ML349)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2CS(=O)(=O)c3ccccc3-c2s1
Show InChI InChI=1S/C23H22N2O4S2/c1-29-18-8-6-17(7-9-18)24-10-12-25(13-11-24)23(26)20-14-16-15-31(27,28)21-5-3-2-4-19(21)22(16)30-20/h2-9,14H,10-13,15H2,1H3
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>1.00E+4n/an/an/an/an/an/a6.5n/a



University of Michigan



Assay Description
Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of...


ACS Chem Biol 11: 3374-3382 (2016)


Article DOI: 10.1021/acschembio.6b00720
BindingDB Entry DOI: 10.7270/Q29K492D
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1 [L176M]


(Homo sapiens (Human))
BDBM207992
PNG
(ML349)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2CS(=O)(=O)c3ccccc3-c2s1
Show InChI InChI=1S/C23H22N2O4S2/c1-29-18-8-6-17(7-9-18)24-10-12-25(13-11-24)23(26)20-14-16-15-31(27,28)21-5-3-2-4-19(21)22(16)30-20/h2-9,14H,10-13,15H2,1H3
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>1.00E+4n/an/an/an/an/an/a6.5n/a



University of Michigan



Assay Description
Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of...


ACS Chem Biol 11: 3374-3382 (2016)


Article DOI: 10.1021/acschembio.6b00720
BindingDB Entry DOI: 10.7270/Q29K492D
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1 [Q83P]


(Homo sapiens (Human))
BDBM207992
PNG
(ML349)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2CS(=O)(=O)c3ccccc3-c2s1
Show InChI InChI=1S/C23H22N2O4S2/c1-29-18-8-6-17(7-9-18)24-10-12-25(13-11-24)23(26)20-14-16-15-31(27,28)21-5-3-2-4-19(21)22(16)30-20/h2-9,14H,10-13,15H2,1H3
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>1.00E+4n/an/an/an/an/an/a6.5n/a



University of Michigan



Assay Description
Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of...


ACS Chem Biol 11: 3374-3382 (2016)


Article DOI: 10.1021/acschembio.6b00720
BindingDB Entry DOI: 10.7270/Q29K492D
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50578692
PNG
(CHEMBL4877950)
Show SMILES COc1ccc(CNC(=O)C(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2ccnc3ccccc23)cc1OC |r|
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n/an/a 0.0890n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SF-tagged FAP (unknown origin) expressed in Drosophila S2 cells using fluorogenic substrate by spectrometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113717
BindingDB Entry DOI: 10.7270/Q2CC14HK
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50578708
PNG
(CHEMBL4878759)
Show SMILES CC(C)(C)OC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 |r|
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n/an/a 0.130n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SF-tagged FAP (unknown origin) expressed in Drosophila S2 cells using fluorogenic substrate by spectrometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113717
BindingDB Entry DOI: 10.7270/Q2CC14HK
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50578691
PNG
(CHEMBL4864809)
Show SMILES COc1ccc(CNC(=O)C(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2ccnc3ccccc23)cc1 |r|
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TBA

Assay Description
Inhibition of SF-tagged FAP (unknown origin) expressed in Drosophila S2 cells using fluorogenic substrate by spectrometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113717
BindingDB Entry DOI: 10.7270/Q2CC14HK
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50578697
PNG
(CHEMBL4853661)
Show SMILES COc1ccc(CCNC(=O)C(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2ccnc3ccccc23)cc1OC |r|
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TBA

Assay Description
Inhibition of SF-tagged FAP (unknown origin) expressed in Drosophila S2 cells using fluorogenic substrate by spectrometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113717
BindingDB Entry DOI: 10.7270/Q2CC14HK
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50578690
PNG
(CHEMBL4850601)
Show SMILES COc1cccc(CNC(=O)C(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2ccnc3ccccc23)c1 |r|
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TBA

Assay Description
Inhibition of SF-tagged FAP (unknown origin) expressed in Drosophila S2 cells using fluorogenic substrate by spectrometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113717
BindingDB Entry DOI: 10.7270/Q2CC14HK
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50578731
PNG
(CHEMBL4876026)
Show SMILES COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 |r|
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TBA

Assay Description
Inhibition of SF-tagged FAP (unknown origin) expressed in Drosophila S2 cells using fluorogenic substrate by spectrometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113717
BindingDB Entry DOI: 10.7270/Q2CC14HK
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50578713
PNG
(CHEMBL4868869)
Show SMILES O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C(=O)C(=O)NCC(=O)N1CCOCC1 |r|
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TBA

Assay Description
Inhibition of SF-tagged FAP (unknown origin) expressed in Drosophila S2 cells using fluorogenic substrate by spectrometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113717
BindingDB Entry DOI: 10.7270/Q2CC14HK
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50578730
PNG
(CHEMBL4850484)
Show SMILES COC(=O)[C@H](CCC(=O)NCc1ccccc1)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 |r|
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Assay Description
Inhibition of SF-tagged FAP (unknown origin) expressed in Drosophila S2 cells using fluorogenic substrate by spectrometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113717
BindingDB Entry DOI: 10.7270/Q2CC14HK
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50578699
PNG
(CHEMBL4873985)
Show SMILES COC(=O)c1ccc(NC(=O)C(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2ccnc3ccccc23)cc1 |r|
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Assay Description
Inhibition of SF-tagged FAP (unknown origin) expressed in Drosophila S2 cells using fluorogenic substrate by spectrometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113717
BindingDB Entry DOI: 10.7270/Q2CC14HK
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50578707
PNG
(CHEMBL4867484)
Show SMILES CCOC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 |r|
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Assay Description
Inhibition of SF-tagged FAP (unknown origin) expressed in Drosophila S2 cells using fluorogenic substrate by spectrometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113717
BindingDB Entry DOI: 10.7270/Q2CC14HK
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50578693
PNG
(CHEMBL4864133)
Show SMILES Fc1ccc(CNC(=O)C(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2ccnc3ccccc23)cc1 |r|
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Assay Description
Inhibition of SF-tagged FAP (unknown origin) expressed in Drosophila S2 cells using fluorogenic substrate by spectrometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113717
BindingDB Entry DOI: 10.7270/Q2CC14HK
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50578724
PNG
(CHEMBL4854865)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 |r|
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Assay Description
Inhibition of SF-tagged FAP (unknown origin) expressed in Drosophila S2 cells using fluorogenic substrate by spectrometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113717
BindingDB Entry DOI: 10.7270/Q2CC14HK
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50578716
PNG
(CHEMBL4871602)
Show SMILES CC(C)(C)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 |r|
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TBA

Assay Description
Inhibition of SF-tagged FAP (unknown origin) expressed in Drosophila S2 cells using fluorogenic substrate by spectrometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113717
BindingDB Entry DOI: 10.7270/Q2CC14HK
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50578702
PNG
(CHEMBL4855449)
Show SMILES CCCCCNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 |r|
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Assay Description
Inhibition of SF-tagged FAP (unknown origin) expressed in Drosophila S2 cells using fluorogenic substrate by spectrometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113717
BindingDB Entry DOI: 10.7270/Q2CC14HK
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50578694
PNG
(CHEMBL4859756)
Show SMILES Cc1ccc(CNC(=O)C(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2ccnc3ccccc23)c(C)c1 |r|
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Assay Description
Inhibition of SF-tagged FAP (unknown origin) expressed in Drosophila S2 cells using fluorogenic substrate by spectrometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113717
BindingDB Entry DOI: 10.7270/Q2CC14HK
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50578696
PNG
(CHEMBL4863249)
Show SMILES O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C(=O)C(=O)NCCc1ccccc1 |r|
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Assay Description
Inhibition of SF-tagged FAP (unknown origin) expressed in Drosophila S2 cells using fluorogenic substrate by spectrometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113717
BindingDB Entry DOI: 10.7270/Q2CC14HK
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50578729
PNG
(CHEMBL4868282)
Show SMILES COC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 |r|
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Assay Description
Inhibition of SF-tagged FAP (unknown origin) expressed in Drosophila S2 cells using fluorogenic substrate by spectrometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113717
BindingDB Entry DOI: 10.7270/Q2CC14HK
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50578700
PNG
(CHEMBL4847764)
Show SMILES O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C(=O)C(=O)NC1CC1 |r|
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Assay Description
Inhibition of SF-tagged FAP (unknown origin) expressed in Drosophila S2 cells using fluorogenic substrate by spectrometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113717
BindingDB Entry DOI: 10.7270/Q2CC14HK
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50578718
PNG
(CHEMBL4851238)
Show SMILES CCCCCCNC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 |r|
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Assay Description
Inhibition of SF-tagged FAP (unknown origin) expressed in Drosophila S2 cells using fluorogenic substrate by spectrometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113717
BindingDB Entry DOI: 10.7270/Q2CC14HK
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50578689
PNG
(CHEMBL4855309)
Show SMILES O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C(=O)C(=O)NCc1ccccc1 |r|
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Assay Description
Inhibition of SF-tagged FAP (unknown origin) expressed in Drosophila S2 cells using fluorogenic substrate by spectrometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113717
BindingDB Entry DOI: 10.7270/Q2CC14HK
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50557417
PNG
(CHEMBL4762591)
Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(Cl)cc2Cl)n1 |r|
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Assay Description
Inhibition of FAP (unknown origin) using AMC substrate by fluorometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127846
BindingDB Entry DOI: 10.7270/Q2PN999J
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50578709
PNG
(CHEMBL4870279)
Show SMILES COC(=O)C(C)NC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 |r|
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Assay Description
Inhibition of SF-tagged FAP (unknown origin) expressed in Drosophila S2 cells using fluorogenic substrate by spectrometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113717
BindingDB Entry DOI: 10.7270/Q2CC14HK
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50578706
PNG
(CHEMBL4846405)
Show SMILES COC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 |r|
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Assay Description
Inhibition of SF-tagged FAP (unknown origin) expressed in Drosophila S2 cells using fluorogenic substrate by spectrometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113717
BindingDB Entry DOI: 10.7270/Q2CC14HK
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50578715
PNG
(CHEMBL4870593)
Show SMILES CC(C)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 |r|
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Assay Description
Inhibition of SF-tagged FAP (unknown origin) expressed in Drosophila S2 cells using fluorogenic substrate by spectrometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113717
BindingDB Entry DOI: 10.7270/Q2CC14HK
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50578698
PNG
(CHEMBL4871573)
Show SMILES COc1ccc(NC(=O)C(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2ccnc3ccccc23)cc1 |r|
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Assay Description
Inhibition of SF-tagged FAP (unknown origin) expressed in Drosophila S2 cells using fluorogenic substrate by spectrometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113717
BindingDB Entry DOI: 10.7270/Q2CC14HK
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50578721
PNG
(CHEMBL4861963)
Show SMILES COc1ccc(CNC(=O)CNC(=O)C(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2ccnc3ccccc23)cc1OC |r|
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Assay Description
Inhibition of SF-tagged FAP (unknown origin) expressed in Drosophila S2 cells using fluorogenic substrate by spectrometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113717
BindingDB Entry DOI: 10.7270/Q2CC14HK
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50578712
PNG
(CHEMBL4869146)
Show SMILES O=C(CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12)N1CCCC1 |r|
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Assay Description
Inhibition of SF-tagged FAP (unknown origin) expressed in Drosophila S2 cells using fluorogenic substrate by spectrometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113717
BindingDB Entry DOI: 10.7270/Q2CC14HK
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50557416
PNG
(CHEMBL4786982)
Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(Cl)c(Cl)c2)n1 |r|
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAP (unknown origin) using AMC substrate by fluorometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127846
BindingDB Entry DOI: 10.7270/Q2PN999J
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50578726
PNG
(CHEMBL4864489)
Show SMILES COC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 |r|
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TBA

Assay Description
Inhibition of SF-tagged FAP (unknown origin) expressed in Drosophila S2 cells using fluorogenic substrate by spectrometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113717
BindingDB Entry DOI: 10.7270/Q2CC14HK
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50009366
PNG
(CHEMBL3233842 | US11504364, Compound Ref.-Comp. | ...)
Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccccc12 |r|
Show InChI InChI=1S/C17H14F2N4O2/c18-17(19)7-11(8-20)23(10-17)15(24)9-22-16(25)13-5-6-21-14-4-2-1-3-12(13)14/h1-6,11H,7,9-10H2,(H,22,25)/t11-/m0/s1
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TBA

Assay Description
Inhibition of SF-tagged FAP (unknown origin) expressed in Drosophila S2 cells using fluorogenic substrate by spectrometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113717
BindingDB Entry DOI: 10.7270/Q2CC14HK
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Homo sapiens (Human))
BDBM50496629
PNG
(CHEMBL3133031)
Show SMILES CCCCCCCCCC[C@H]1[C@H](CCCCS(=O)(=O)CCCN(C)C)OC1=O |r|
Show InChI InChI=1S/C22H43NO4S/c1-4-5-6-7-8-9-10-11-15-20-21(27-22(20)24)16-12-13-18-28(25,26)19-14-17-23(2)3/h20-21H,4-19H2,1-3H3/t20-,21-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.5n/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 1


(Rattus norvegicus)
BDBM50578717
PNG
(CHEMBL4872140)
Show SMILES O=C(CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12)NC1CC1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SF-tagged FAP (unknown origin) expressed in Drosophila S2 cells using fluorogenic substrate by spectrometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113717
BindingDB Entry DOI: 10.7270/Q2CC14HK
More data for this
Ligand-Target Pair
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