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Compile Data Set for Download or QSAR

Found 63 hits of ic50 data for polymerid = 3115   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM26736
PNG
(CHEMBL509860 | LY2183240 | N,N-dimethyl-5-[(4-phen...)
Show SMILES CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H17N5O/c1-21(2)17(23)22-16(18-19-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
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n/an/a 0.0900n/an/an/an/a7.422



The Scripps Research Institute



Assay Description
Serine hydrolase targets were recombinantly expressed in COS-7 cells by transient transfection. IC50 values were obtained by competitive ABPP with F...


J Am Chem Soc 128: 9699-704 (2006)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50010336
PNG
(CHEMBL3263579)
Show SMILES O=C(N1CCCCC1)c1cccc(c1)-c1ccc(cc1)-c1cn(nn1)C(=O)N1CCCCC1c1ccccc1
Show InChI InChI=1S/C32H33N5O2/c38-31(35-19-6-2-7-20-35)28-13-9-12-27(22-28)24-15-17-25(18-16-24)29-23-37(34-33-29)32(39)36-21-8-5-14-30(36)26-10-3-1-4-11-26/h1,3-4,9-13,15-18,22-23,30H,2,5-8,14,19-21H2
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n/an/a 0.200n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
In situ inhibition of ABHD6 in mouse Neuro2a cells after 4 hrs by ABPP-SILAC-based LC-MS/MS analysis


Cell Chem Biol 56: 8270-9 (2013)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50010337
PNG
(CHEMBL3263582)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(cc1)-c1cn(nn1)C(=O)N1CCCCC1Cc1ccccc1
Show InChI InChI=1S/C28H26N4O3/c33-27(34)24-10-6-9-23(18-24)21-12-14-22(15-13-21)26-19-32(30-29-26)28(35)31-16-5-4-11-25(31)17-20-7-2-1-3-8-20/h1-3,6-10,12-15,18-19,25H,4-5,11,16-17H2,(H,33,34)
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n/an/a 0.200n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
In situ inhibition of ABHD6 in mouse Neuro2a cells after 4 hrs by ABPP-SILAC-based LC-MS/MS analysis


Cell Chem Biol 56: 8270-9 (2013)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50010335
PNG
(CHEMBL3263577)
Show SMILES OCc1cccc(c1)-c1ccc(cc1)-c1cn(nn1)C(=O)N1CCCCC1c1ccccc1
Show InChI InChI=1S/C27H26N4O2/c32-19-20-7-6-10-24(17-20)21-12-14-22(15-13-21)25-18-31(29-28-25)27(33)30-16-5-4-11-26(30)23-8-2-1-3-9-23/h1-3,6-10,12-15,17-18,26,32H,4-5,11,16,19H2
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n/an/a 0.200n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
In situ inhibition of ABHD6 in mouse Neuro2a cells after 4 hrs by ABPP-SILAC-based LC-MS/MS analysis


Cell Chem Biol 56: 8270-9 (2013)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50010336
PNG
(CHEMBL3263579)
Show SMILES O=C(N1CCCCC1)c1cccc(c1)-c1ccc(cc1)-c1cn(nn1)C(=O)N1CCCCC1c1ccccc1
Show InChI InChI=1S/C32H33N5O2/c38-31(35-19-6-2-7-20-35)28-13-9-12-27(22-28)24-15-17-25(18-16-24)29-23-37(34-33-29)32(39)36-21-8-5-14-30(36)26-10-3-1-4-11-26/h1,3-4,9-13,15-18,22-23,30H,2,5-8,14,19-21H2
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n/an/a 0.210n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
In situ inhibition of ABHD6 in mouse Neuro2a cells after 4 hrs by gel-based competitive ABPP assay


Cell Chem Biol 56: 8270-9 (2013)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50010335
PNG
(CHEMBL3263577)
Show SMILES OCc1cccc(c1)-c1ccc(cc1)-c1cn(nn1)C(=O)N1CCCCC1c1ccccc1
Show InChI InChI=1S/C27H26N4O2/c32-19-20-7-6-10-24(17-20)21-12-14-22(15-13-21)25-18-31(29-28-25)27(33)30-16-5-4-11-26(30)23-8-2-1-3-9-23/h1-3,6-10,12-15,17-18,26,32H,4-5,11,16,19H2
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n/an/a 0.240n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
In situ inhibition of ABHD6 in mouse Neuro2a cells after 4 hrs by gel-based competitive ABPP assay


Cell Chem Biol 56: 8270-9 (2013)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50010337
PNG
(CHEMBL3263582)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(cc1)-c1cn(nn1)C(=O)N1CCCCC1Cc1ccccc1
Show InChI InChI=1S/C28H26N4O3/c33-27(34)24-10-6-9-23(18-24)21-12-14-22(15-13-21)26-19-32(30-29-26)28(35)31-16-5-4-11-25(31)17-20-7-2-1-3-8-20/h1-3,6-10,12-15,18-19,25H,4-5,11,16-17H2,(H,33,34)
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n/an/a 0.310n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
In situ inhibition of ABHD6 in mouse Neuro2a cells after 4 hrs by gel-based competitive ABPP assay


Cell Chem Biol 56: 8270-9 (2013)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50010337
PNG
(CHEMBL3263582)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(cc1)-c1cn(nn1)C(=O)N1CCCCC1Cc1ccccc1
Show InChI InChI=1S/C28H26N4O3/c33-27(34)24-10-6-9-23(18-24)21-12-14-22(15-13-21)26-19-32(30-29-26)28(35)31-16-5-4-11-25(31)17-20-7-2-1-3-8-20/h1-3,6-10,12-15,18-19,25H,4-5,11,16-17H2,(H,33,34)
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n/an/a 0.820n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in FP-rhodamine-labelled mouse brain membrane preincubated for 30 mins followed by FP-rhodamine labelling measured after 30 mins ...


Cell Chem Biol 56: 8270-9 (2013)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50010336
PNG
(CHEMBL3263579)
Show SMILES O=C(N1CCCCC1)c1cccc(c1)-c1ccc(cc1)-c1cn(nn1)C(=O)N1CCCCC1c1ccccc1
Show InChI InChI=1S/C32H33N5O2/c38-31(35-19-6-2-7-20-35)28-13-9-12-27(22-28)24-15-17-25(18-16-24)29-23-37(34-33-29)32(39)36-21-8-5-14-30(36)26-10-3-1-4-11-26/h1,3-4,9-13,15-18,22-23,30H,2,5-8,14,19-21H2
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n/an/a 1.30n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in FP-rhodamine-labelled mouse brain membrane preincubated for 30 mins followed by FP-rhodamine labelling measured after 30 mins ...


Cell Chem Biol 56: 8270-9 (2013)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50010335
PNG
(CHEMBL3263577)
Show SMILES OCc1cccc(c1)-c1ccc(cc1)-c1cn(nn1)C(=O)N1CCCCC1c1ccccc1
Show InChI InChI=1S/C27H26N4O2/c32-19-20-7-6-10-24(17-20)21-12-14-22(15-13-21)25-18-31(29-28-25)27(33)30-16-5-4-11-26(30)23-8-2-1-3-9-23/h1-3,6-10,12-15,17-18,26,32H,4-5,11,16,19H2
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n/an/a 1.70n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in FP-rhodamine-labelled mouse brain membrane preincubated for 30 mins followed by FP-rhodamine labelling measured after 30 mins ...


Cell Chem Biol 56: 8270-9 (2013)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50010337
PNG
(CHEMBL3263582)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(cc1)-c1cn(nn1)C(=O)N1CCCCC1Cc1ccccc1
Show InChI InChI=1S/C28H26N4O3/c33-27(34)24-10-6-9-23(18-24)21-12-14-22(15-13-21)26-19-32(30-29-26)28(35)31-16-5-4-11-25(31)17-20-7-2-1-3-8-20/h1-3,6-10,12-15,18-19,25H,4-5,11,16-17H2,(H,33,34)
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n/an/a 3.90n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse ABHD6 expressed in HEK293T using 2-arachidonoylglycerol preincubated for 30 mins followed by substrate addition measu...


Cell Chem Biol 56: 8270-9 (2013)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50010336
PNG
(CHEMBL3263579)
Show SMILES O=C(N1CCCCC1)c1cccc(c1)-c1ccc(cc1)-c1cn(nn1)C(=O)N1CCCCC1c1ccccc1
Show InChI InChI=1S/C32H33N5O2/c38-31(35-19-6-2-7-20-35)28-13-9-12-27(22-28)24-15-17-25(18-16-24)29-23-37(34-33-29)32(39)36-21-8-5-14-30(36)26-10-3-1-4-11-26/h1,3-4,9-13,15-18,22-23,30H,2,5-8,14,19-21H2
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n/an/a 14n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse ABHD6 expressed in HEK293T using 2-arachidonoylglycerol preincubated for 30 mins followed by substrate addition measu...


Cell Chem Biol 56: 8270-9 (2013)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50010335
PNG
(CHEMBL3263577)
Show SMILES OCc1cccc(c1)-c1ccc(cc1)-c1cn(nn1)C(=O)N1CCCCC1c1ccccc1
Show InChI InChI=1S/C27H26N4O2/c32-19-20-7-6-10-24(17-20)21-12-14-22(15-13-21)25-18-31(29-28-25)27(33)30-16-5-4-11-26(30)23-8-2-1-3-9-23/h1-3,6-10,12-15,17-18,26,32H,4-5,11,16,19H2
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n/an/a 15n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse ABHD6 expressed in HEK293T using 2-arachidonoylglycerol preincubated for 30 mins followed by substrate addition measu...


Cell Chem Biol 56: 8270-9 (2013)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50211271
PNG
(CHEMBL3913807)
Show SMILES CO[C@@H]1CC[C@H](Cc2ccccc2)N(C1)C(=O)n1ncc(n1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C29H28F2N4O3/c1-38-26-16-15-25(17-20-5-3-2-4-6-20)34(19-26)28(36)35-32-18-27(33-35)29(37,21-7-11-23(30)12-8-21)22-9-13-24(31)14-10-22/h2-14,18,25-26,37H,15-17,19H2,1H3/t25-,26-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of MB064 probe binding to ABHD6 in mouse brain membrane proteome preincubated for 30 mins followed by MB064 probe addition measured after ...


Citation and Details
More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307083
PNG
(4-nitrophenyl 4-(3-phenoxybenzyl)piperazine-1-carb...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1
Show InChI InChI=1S/C24H23N3O5/c28-24(32-22-11-9-20(10-12-22)27(29)30)26-15-13-25(14-16-26)18-19-5-4-8-23(17-19)31-21-6-2-1-3-7-21/h1-12,17H,13-16,18H2
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n/an/a 50n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307086
PNG
(4-Nitrophenyl 4-(3-(Pyridin-2-yloxy)benzyl)piperaz...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3cccc(Oc4ccccn4)c3)CC2)cc1
Show InChI InChI=1S/C23H22N4O5/c28-23(32-20-9-7-19(8-10-20)27(29)30)26-14-12-25(13-15-26)17-18-4-3-5-21(16-18)31-22-6-1-2-11-24-22/h1-11,16H,12-15,17H2
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n/an/a 60n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Mus musculus (mouse))
BDBM50211257
PNG
(CHEMBL3895863)
Show SMILES OC(c1cnn(n1)C(=O)N1C[C@@H](CC[C@@H]1Cc1ccccc1)OCC#C)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C31H28F2N4O3/c1-2-18-40-28-17-16-27(19-22-6-4-3-5-7-22)36(21-28)30(38)37-34-20-29(35-37)31(39,23-8-12-25(32)13-9-23)24-10-14-26(33)15-11-24/h1,3-15,20,27-28,39H,16-19,21H2/t27-,28-/m1/s1
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n/an/a 79n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of MB064 probe binding to ABHD6 in mouse brain membrane proteome preincubated for 30 mins followed by MB064 probe addition measured after ...


Citation and Details
More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307088
PNG
(4-Nitrophenyl 4-(5-Bromo-2-hydroxybenzyl)piperazin...)
Show SMILES Oc1ccc(Br)cc1CN1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H18BrN3O5/c19-14-1-6-17(23)13(11-14)12-20-7-9-21(10-8-20)18(24)27-16-4-2-15(3-5-16)22(25)26/h1-6,11,23H,7-10,12H2
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n/an/a 130n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307087
PNG
(4-Nitrophenyl 4-(Naphthalen-2-ylmethyl)piperazine-...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3ccc4ccccc4c3)CC2)cc1
Show InChI InChI=1S/C22H21N3O4/c26-22(29-21-9-7-20(8-10-21)25(27)28)24-13-11-23(12-14-24)16-17-5-6-18-3-1-2-4-19(18)15-17/h1-10,15H,11-14,16H2
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n/an/a 150n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307090
PNG
(4-Nitrophenyl 4-(Bis(4-chlorophenyl)(hydroxy)methy...)
Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22Cl2N2O5/c26-20-5-1-17(2-6-20)25(31,18-3-7-21(27)8-4-18)19-13-15-28(16-14-19)24(30)34-23-11-9-22(10-12-23)29(32)33/h1-12,19,31H,13-16H2
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n/an/a 180n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307081
PNG
(4-Nitrophenyl 4-((5-(2-(Trifluoromethoxy)phenyl)fu...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3ccc(o3)-c3ccccc3OC(F)(F)F)CC2)cc1
Show InChI InChI=1S/C23H20F3N3O6/c24-23(25,26)35-21-4-2-1-3-19(21)20-10-9-18(33-20)15-27-11-13-28(14-12-27)22(30)34-17-7-5-16(6-8-17)29(31)32/h1-10H,11-15H2
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n/an/a 180n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307085
PNG
(4-Nitrophenyl 4-((5-Phenylthiophen-2-yl)methyl)pip...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3ccc(s3)-c3ccccc3)CC2)cc1
Show InChI InChI=1S/C22H21N3O4S/c26-22(29-19-8-6-18(7-9-19)25(27)28)24-14-12-23(13-15-24)16-20-10-11-21(30-20)17-4-2-1-3-5-17/h1-11H,12-16H2
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n/an/a 220n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307084
PNG
(4-Nitrophenyl 4-((5-Phenylfuran-2-yl)methyl)pipera...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3ccc(o3)-c3ccccc3)CC2)cc1
Show InChI InChI=1S/C22H21N3O5/c26-22(30-19-8-6-18(7-9-19)25(27)28)24-14-12-23(13-15-24)16-20-10-11-21(29-20)17-4-2-1-3-5-17/h1-11H,12-16H2
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n/an/a 220n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307089
PNG
(4-Nitrophenyl 4-(4-(Benzyloxy)-2-methoxybenzyl)pip...)
Show SMILES COc1cc(OCc2ccccc2)ccc1CN1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C26H27N3O6/c1-33-25-17-24(34-19-20-5-3-2-4-6-20)10-7-21(25)18-27-13-15-28(16-14-27)26(30)35-23-11-8-22(9-12-23)29(31)32/h2-12,17H,13-16,18-19H2,1H3
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n/an/a 310n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50211240
PNG
(CHEMBL3897587)
Show SMILES OC(c1cnn(n1)C(=O)N1C[C@@H](CC[C@@H]1Cc1ccccc1)OCC1CC1)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C32H32F2N4O3/c33-26-12-8-24(9-13-26)32(40,25-10-14-27(34)15-11-25)30-19-35-38(36-30)31(39)37-20-29(41-21-23-6-7-23)17-16-28(37)18-22-4-2-1-3-5-22/h1-5,8-15,19,23,28-29,40H,6-7,16-18,20-21H2/t28-,29-/m1/s1
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n/an/a 316n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of MB064 probe binding to ABHD6 in mouse brain membrane proteome preincubated for 30 mins followed by MB064 probe addition measured after ...


Citation and Details
More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307082
PNG
(4-Nitrophenyl 4-(3-(3-(Trifluoromethyl)phenoxy)ben...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3cccc(Oc4cccc(c4)C(F)(F)F)c3)CC2)cc1
Show InChI InChI=1S/C25H22F3N3O5/c26-25(27,28)19-4-2-6-23(16-19)35-22-5-1-3-18(15-22)17-29-11-13-30(14-12-29)24(32)36-21-9-7-20(8-10-21)31(33)34/h1-10,15-16H,11-14,17H2
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n/an/a 320n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307091
PNG
(4-Nitrophenyl 2,2-Diphenyl-1-oxa-6-azaspiro[2.5]oc...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCC3(CC2)OC3(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H22N2O5/c28-23(31-22-13-11-21(12-14-22)27(29)30)26-17-15-24(16-18-26)25(32-24,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14H,15-18H2
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n/an/a 380n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50211262
PNG
(CHEMBL3922787)
Show SMILES CO[C@H]1CC[C@H](Cc2ccccc2)N(C1)C(=O)n1ncc(n1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C29H28F2N4O3/c1-38-26-16-15-25(17-20-5-3-2-4-6-20)34(19-26)28(36)35-32-18-27(33-35)29(37,21-7-11-23(30)12-8-21)22-9-13-24(31)14-10-22/h2-14,18,25-26,37H,15-17,19H2,1H3/t25-,26+/m1/s1
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n/an/a 398n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of MB064 probe binding to ABHD6 in mouse brain membrane proteome preincubated for 30 mins followed by MB064 probe addition measured after ...


Citation and Details
More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307059
PNG
(4-Nitrophenyl 4-(3-(4-Methoxyphenoxy)benzyl)pipera...)
Show SMILES COc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Oc3ccc(cc3)[N+]([O-])=O)c2)cc1
Show InChI InChI=1S/C25H25N3O6/c1-32-21-9-11-22(12-10-21)33-24-4-2-3-19(17-24)18-26-13-15-27(16-14-26)25(29)34-23-7-5-20(6-8-23)28(30)31/h2-12,17H,13-16,18H2,1H3
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n/an/a 460n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307058
PNG
(4-Nitrophenyl 4-(Hydroxybis(3-methoxyphenyl)methyl...)
Show SMILES COc1cccc(c1)C(O)(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)c1cccc(OC)c1
Show InChI InChI=1S/C27H28N2O7/c1-34-24-7-3-5-20(17-24)27(31,21-6-4-8-25(18-21)35-2)19-13-15-28(16-14-19)26(30)36-23-11-9-22(10-12-23)29(32)33/h3-12,17-19,31H,13-16H2,1-2H3
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n/an/a 460n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307060
PNG
(4-Nitrophenyl 4-(Quinolin-2-ylmethyl)piperazine-1-...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3ccc4ccccc4n3)CC2)cc1
Show InChI InChI=1S/C21H20N4O4/c26-21(29-19-9-7-18(8-10-19)25(27)28)24-13-11-23(12-14-24)15-17-6-5-16-3-1-2-4-20(16)22-17/h1-10H,11-15H2
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n/an/a 490n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307061
PNG
(4-Nitrophenyl 4-(Hydroxybis(4-methoxyphenyl)methyl...)
Show SMILES COc1ccc(cc1)C(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)c1ccc(OC)cc1
Show InChI InChI=1S/C27H28N2O6/c1-33-23-9-3-19(4-10-23)26(20-5-11-24(34-2)12-6-20)21-15-17-28(18-16-21)27(30)35-25-13-7-22(8-14-25)29(31)32/h3-14,21,26H,15-18H2,1-2H3
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n/an/a 550n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307062
PNG
(4-Nitrophenyl 4-Benzylpiperazine-1-carboxylate | C...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C18H19N3O4/c22-18(25-17-8-6-16(7-9-17)21(23)24)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15/h1-9H,10-14H2
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n/an/a 740n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307064
PNG
(4-nitrophenyl 4-(bis(4-fluorophenyl)methyl)piperaz...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H21F2N3O4/c25-19-5-1-17(2-6-19)23(18-3-7-20(26)8-4-18)27-13-15-28(16-14-27)24(30)33-22-11-9-21(10-12-22)29(31)32/h1-12,23H,13-16H2
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n/an/a 900n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307065
PNG
(4-Nitrophenyl 4-((4-Phenylthiophen-2-yl)methyl)pip...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3cc(cs3)-c3ccccc3)CC2)cc1
Show InChI InChI=1S/C22H21N3O4S/c26-22(29-20-8-6-19(7-9-20)25(27)28)24-12-10-23(11-13-24)15-21-14-18(16-30-21)17-4-2-1-3-5-17/h1-9,14,16H,10-13,15H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307066
PNG
(4-Nitrophenyl 4-(Bis(4-(dimethylamino)phenyl)(hydr...)
Show SMILES CN(C)c1ccc(cc1)C(O)(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H34N4O5/c1-30(2)24-9-5-21(6-10-24)29(35,22-7-11-25(12-8-22)31(3)4)23-17-19-32(20-18-23)28(34)38-27-15-13-26(14-16-27)33(36)37/h5-16,23,35H,17-20H2,1-4H3
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n/an/a 1.02E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307067
PNG
(4-Nitrophenyl 4-(Hydroxydiphenylmethyl)piperidine-...)
Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H24N2O5/c28-24(32-23-13-11-22(12-14-23)27(30)31)26-17-15-21(16-18-26)25(29,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,21,29H,15-18H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307068
PNG
(4-Nitrophenyl 4-(Hydroxybis(2-methoxyphenyl)methyl...)
Show SMILES COc1ccccc1C(O)(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)c1ccccc1OC
Show InChI InChI=1S/C27H28N2O7/c1-34-24-9-5-3-7-22(24)27(31,23-8-4-6-10-25(23)35-2)19-15-17-28(18-16-19)26(30)36-21-13-11-20(12-14-21)29(32)33/h3-14,19,31H,15-18H2,1-2H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307069
PNG
(4-Nitrophenyl 4-(3-(p-Tolyloxy)benzyl)piperazine-1...)
Show SMILES Cc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Oc3ccc(cc3)[N+]([O-])=O)c2)cc1
Show InChI InChI=1S/C25H25N3O5/c1-19-5-9-22(10-6-19)32-24-4-2-3-20(17-24)18-26-13-15-27(16-14-26)25(29)33-23-11-7-21(8-12-23)28(30)31/h2-12,17H,13-16,18H2,1H3
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n/an/a 1.13E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307070
PNG
(4-Nitrophenyl 4-(4-Methoxybenzyl)piperazine-1-carb...)
Show SMILES COc1ccc(CN2CCN(CC2)C(=O)Oc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H21N3O5/c1-26-17-6-2-15(3-7-17)14-20-10-12-21(13-11-20)19(23)27-18-8-4-16(5-9-18)22(24)25/h2-9H,10-14H2,1H3
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n/an/a 1.27E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307071
PNG
(4-Nitrophenyl 4-(Diphenylmethylene)piperidine-1-ca...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCC(CC2)=C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H22N2O4/c28-25(31-23-13-11-22(12-14-23)27(29)30)26-17-15-21(16-18-26)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14H,15-18H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307072
PNG
(4-Nitrophenyl 4-(Biphenyl-4-ylmethyl)piperazine-1-...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3ccc(cc3)-c3ccccc3)CC2)cc1
Show InChI InChI=1S/C24H23N3O4/c28-24(31-23-12-10-22(11-13-23)27(29)30)26-16-14-25(15-17-26)18-19-6-8-21(9-7-19)20-4-2-1-3-5-20/h1-13H,14-18H2
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n/an/a 1.65E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307073
PNG
(4-nitrophenyl 4-(hydroxybis(4-methoxyphenyl)methyl...)
Show SMILES COc1ccc(cc1)C(O)(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)c1ccc(OC)cc1
Show InChI InChI=1S/C27H28N2O7/c1-34-23-9-3-19(4-10-23)27(31,20-5-11-24(35-2)12-6-20)21-15-17-28(18-16-21)26(30)36-25-13-7-22(8-14-25)29(32)33/h3-14,21,31H,15-18H2,1-2H3
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n/an/a 2.11E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307074
PNG
(4-Nitrophenyl 4-(9H-Xanthen-9-yl)piperazine-1-carb...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(CC2)C2c3ccccc3Oc3ccccc23)cc1
Show InChI InChI=1S/C24H21N3O5/c28-24(31-18-11-9-17(10-12-18)27(29)30)26-15-13-25(14-16-26)23-19-5-1-3-7-21(19)32-22-8-4-2-6-20(22)23/h1-12,23H,13-16H2
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n/an/a 2.12E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307075
PNG
(4-Nitrophenyl 4-(Biphenyl-2-ylmethyl)piperazine-1-...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3ccccc3-c3ccccc3)CC2)cc1
Show InChI InChI=1S/C24H23N3O4/c28-24(31-22-12-10-21(11-13-22)27(29)30)26-16-14-25(15-17-26)18-20-8-4-5-9-23(20)19-6-2-1-3-7-19/h1-13H,14-18H2
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n/an/a 2.86E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM60622
PNG
(BDBM50300355 | US9133148, A)
Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2
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n/an/a 3.27E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307076
PNG
(4-Nitrophenyl 4-(Hydroxydinaphthalen-2-ylmethyl)pi...)
Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2ccccc2c1)c1ccc2ccccc2c1
Show InChI InChI=1S/C33H28N2O5/c36-32(40-31-15-13-30(14-16-31)35(38)39)34-19-17-27(18-20-34)33(37,28-11-9-23-5-1-3-7-25(23)21-28)29-12-10-24-6-2-4-8-26(24)22-29/h1-16,21-22,27,37H,17-20H2
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n/an/a 3.43E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307077
PNG
(4-Nitrophenyl 4-(Bis(3,4-dimethoxyphenyl)(hydroxy)...)
Show SMILES COc1ccc(cc1OC)C(O)(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C29H32N2O9/c1-36-24-11-5-20(17-26(24)38-3)29(33,21-6-12-25(37-2)27(18-21)39-4)19-13-15-30(16-14-19)28(32)40-23-9-7-22(8-10-23)31(34)35/h5-12,17-19,33H,13-16H2,1-4H3
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n/an/a 6.96E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)

More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50211267
PNG
(CHEMBL3967137)
Show SMILES OC(c1cnn(n1)C(=O)N1C[C@H](CC[C@@H]1Cc1ccccc1)OCC1CC1)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C32H32F2N4O3/c33-26-12-8-24(9-13-26)32(40,25-10-14-27(34)15-11-25)30-19-35-38(36-30)31(39)37-20-29(41-21-23-6-7-23)17-16-28(37)18-22-4-2-1-3-5-22/h1-5,8-15,19,23,28-29,40H,6-7,16-18,20-21H2/t28-,29+/m1/s1
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n/an/a<1.00E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of MB064 probe binding to ABHD6 in mouse brain membrane proteome preincubated for 30 mins followed by MB064 probe addition measured after ...


Citation and Details
More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307079
PNG
(4-nitrophenyl 3,3-diphenylpropyl(methyl)carbamate ...)
Show SMILES CN(CCC(c1ccccc1)c1ccccc1)C(=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H22N2O4/c1-24(23(26)29-21-14-12-20(13-15-21)25(27)28)17-16-22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,22H,16-17H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)

More data for this
Ligand-Target Pair
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