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Compile Data Set for Download or QSAR

Found 35 hits of ic50 for UniProtKB: Q99LR1   
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
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526084
PNG
(CHEMBL4444498)
Show SMILES FC(F)(F)Oc1ccc(Oc2ccnc(N3CCC(CC3)NC(=S)Nc3cccnc3)c2Cl)c(Cl)c1
Show InChI InChI=1S/C23H20Cl2F3N5O2S/c24-17-12-16(35-23(26,27)28)3-4-18(17)34-19-5-9-30-21(20(19)25)33-10-6-14(7-11-33)31-22(36)32-15-2-1-8-29-13-15/h1-5,8-9,12-14H,6-7,10-11H2,(H2,31,32,36)
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n/an/a 11n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JJH350 binding to ABHD12 in mouse brain membrane proteome incubated for 20 mins by CuAAC fluorescence dependent gel-based competitive A...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526088
PNG
(CHEMBL4567616)
Show SMILES FC(F)(F)Oc1ccc(Oc2ccnc(N3CCC(CC3)NC(=S)Nc3cccnc3)c2Cl)cc1
Show InChI InChI=1S/C23H21ClF3N5O2S/c24-20-19(33-17-3-5-18(6-4-17)34-23(25,26)27)7-11-29-21(20)32-12-8-15(9-13-32)30-22(35)31-16-2-1-10-28-14-16/h1-7,10-11,14-15H,8-9,12-13H2,(H2,30,31,35)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JJH350 binding to ABHD12 in mouse brain membrane proteome incubated for 20 mins by CuAAC fluorescence dependent gel-based competitive A...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526094
PNG
(CHEMBL4451662)
Show SMILES Cc1c(Oc2ccc(OC(F)(F)F)cc2)ccnc1N1CCC(CC1)NC(=S)Nc1cccnc1
Show InChI InChI=1S/C24H24F3N5O2S/c1-16-21(33-19-4-6-20(7-5-19)34-24(25,26)27)8-12-29-22(16)32-13-9-17(10-14-32)30-23(35)31-18-3-2-11-28-15-18/h2-8,11-12,15,17H,9-10,13-14H2,1H3,(H2,30,31,35)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JJH350 binding to ABHD12 in mouse brain membrane proteome incubated for 20 mins by CuAAC fluorescence dependent gel-based competitive A...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526085
PNG
(CHEMBL4517420)
Show SMILES FC(F)(F)Oc1ccc(Oc2ccnc(N3CCC(CC3)NC(=S)Nc3cccnc3)c2Cl)cc1Cl
Show InChI InChI=1S/C23H20Cl2F3N5O2S/c24-17-12-16(3-4-18(17)35-23(26,27)28)34-19-5-9-30-21(20(19)25)33-10-6-14(7-11-33)31-22(36)32-15-2-1-8-29-13-15/h1-5,8-9,12-14H,6-7,10-11H2,(H2,31,32,36)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JJH350 binding to ABHD12 in mouse brain membrane proteome incubated for 20 mins by CuAAC fluorescence dependent gel-based competitive A...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526101
PNG
(CHEMBL4446703)
Show SMILES FC(F)(F)Oc1cccc(Oc2ccnc(N3CCC(CC3)NC(=S)Nc3cccnc3)c2Cl)c1
Show InChI InChI=1S/C23H21ClF3N5O2S/c24-20-19(33-17-4-1-5-18(13-17)34-23(25,26)27)6-10-29-21(20)32-11-7-15(8-12-32)30-22(35)31-16-3-2-9-28-14-16/h1-6,9-10,13-15H,7-8,11-12H2,(H2,30,31,35)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JJH350 binding to ABHD12 in mouse brain membrane proteome incubated for 20 mins by CuAAC fluorescence dependent gel-based competitive A...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526099
PNG
(CHEMBL4587861)
Show SMILES FC(F)(F)Oc1ccccc1Oc1ccnc(N2CCC(CC2)NC(=S)Nc2cccnc2)c1Cl
Show InChI InChI=1S/C23H21ClF3N5O2S/c24-20-19(33-17-5-1-2-6-18(17)34-23(25,26)27)7-11-29-21(20)32-12-8-15(9-13-32)30-22(35)31-16-4-3-10-28-14-16/h1-7,10-11,14-15H,8-9,12-13H2,(H2,30,31,35)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JJH350 binding to ABHD12 in mouse brain membrane proteome incubated for 20 mins by CuAAC fluorescence dependent gel-based competitive A...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526087
PNG
(CHEMBL4463441)
Show SMILES FC(F)(F)Oc1ccc(Oc2ccnc(N3CCC(CC3)NC(=S)Nc3cccnc3)c2C#N)cc1
Show InChI InChI=1S/C24H21F3N6O2S/c25-24(26,27)35-19-5-3-18(4-6-19)34-21-7-11-30-22(20(21)14-28)33-12-8-16(9-13-33)31-23(36)32-17-2-1-10-29-15-17/h1-7,10-11,15-16H,8-9,12-13H2,(H2,31,32,36)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JJH350 binding to ABHD12 in mouse brain membrane proteome incubated for 20 mins by CuAAC fluorescence dependent gel-based competitive A...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526079
PNG
(CHEMBL4454320)
Show SMILES FC(F)(F)c1ccnc(N2CCC(CC2)NC(=S)Nc2cccnc2)c1Cl
Show InChI InChI=1S/C17H17ClF3N5S/c18-14-13(17(19,20)21)3-7-23-15(14)26-8-4-11(5-9-26)24-16(27)25-12-2-1-6-22-10-12/h1-3,6-7,10-11H,4-5,8-9H2,(H2,24,25,27)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JJH350 binding to ABHD12 in mouse brain membrane proteome incubated for 20 mins by CuAAC fluorescence dependent gel-based competitive A...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526072
PNG
(CHEMBL4590567)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)ON1C(=O)C2CN(CCN2C1=O)C(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C31H31N5O7/c1-41-24-13-9-23(10-14-24)32-15-17-33(18-16-32)31(40)43-36-29(38)27-21-34(19-20-35(27)30(36)39)28(37)22-7-11-26(12-8-22)42-25-5-3-2-4-6-25/h2-14,27H,15-21H2,1H3
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-Rh probe binding to ABHD12 in mouse brain membrane proteome incubated for 45 mins by CuAAC fluorescence dependent gel-based competit...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526070
PNG
(CHEMBL4555973)
Show SMILES O=C(ON1C(=O)C2CN(CCN2C1=O)C(=O)c1ccc(Oc2ccccc2)cc1)N1CCN(CC1)c1ccc(OCC#C)cc1
Show InChI InChI=1S/C33H31N5O7/c1-2-22-43-26-14-10-25(11-15-26)34-16-18-35(19-17-34)33(42)45-38-31(40)29-23-36(20-21-37(29)32(38)41)30(39)24-8-12-28(13-9-24)44-27-6-4-3-5-7-27/h1,3-15,29H,16-23H2
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-Rh probe binding to ABHD12 in mouse brain membrane proteome incubated for 45 mins by CuAAC fluorescence dependent gel-based competit...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526100
PNG
(CHEMBL4549882)
Show SMILES FC(F)(F)Oc1ccc(Oc2ccnc(c2)N2CCC(CC2)NC(=S)Nc2cccnc2)cc1
Show InChI InChI=1S/C23H22F3N5O2S/c24-23(25,26)33-19-5-3-18(4-6-19)32-20-7-11-28-21(14-20)31-12-8-16(9-13-31)29-22(34)30-17-2-1-10-27-15-17/h1-7,10-11,14-16H,8-9,12-13H2,(H2,29,30,34)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JJH350 binding to ABHD12 in mouse brain membrane proteome incubated for 20 mins by CuAAC fluorescence dependent gel-based competitive A...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526080
PNG
(CHEMBL4461134)
Show SMILES FC(F)(F)c1cc(Cl)nc(c1)N1CCC(CC1)NC(=S)Nc1cccnc1
Show InChI InChI=1S/C17H17ClF3N5S/c18-14-8-11(17(19,20)21)9-15(25-14)26-6-3-12(4-7-26)23-16(27)24-13-2-1-5-22-10-13/h1-2,5,8-10,12H,3-4,6-7H2,(H2,23,24,27)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JJH350 binding to ABHD12 in mouse brain membrane proteome incubated for 20 mins by CuAAC fluorescence dependent gel-based competitive A...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526078
PNG
(CHEMBL4544772)
Show SMILES FC(F)(F)c1cccc(n1)N1CCC(CC1)NC(=S)Nc1cccnc1
Show InChI InChI=1S/C17H18F3N5S/c18-17(19,20)14-4-1-5-15(24-14)25-9-6-12(7-10-25)22-16(26)23-13-3-2-8-21-11-13/h1-5,8,11-12H,6-7,9-10H2,(H2,22,23,26)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JJH350 binding to ABHD12 in mouse brain membrane proteome incubated for 20 mins by CuAAC fluorescence dependent gel-based competitive A...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526096
PNG
(CHEMBL4540383)
Show SMILES FC(F)(F)c1ccnc(c1)N1CCC(CC1)NC(=S)Nc1cccnc1
Show InChI InChI=1S/C17H18F3N5S/c18-17(19,20)12-3-7-22-15(10-12)25-8-4-13(5-9-25)23-16(26)24-14-2-1-6-21-11-14/h1-3,6-7,10-11,13H,4-5,8-9H2,(H2,23,24,26)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JJH350 binding to ABHD12 in mouse brain membrane proteome incubated for 20 mins by CuAAC fluorescence dependent gel-based competitive A...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526075
PNG
(CHEMBL4533929)
Show SMILES FC(F)(F)c1cnc(N2CCC(CC2)NC(=S)Nc2cccnc2)c(Cl)c1
Show InChI InChI=1S/C17H17ClF3N5S/c18-14-8-11(17(19,20)21)9-23-15(14)26-6-3-12(4-7-26)24-16(27)25-13-2-1-5-22-10-13/h1-2,5,8-10,12H,3-4,6-7H2,(H2,24,25,27)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JJH350 binding to ABHD12 in mouse brain membrane proteome incubated for 20 mins by CuAAC fluorescence dependent gel-based competitive A...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526069
PNG
(CHEMBL4569557)
Show SMILES Fc1ccc(Oc2ccnc(c2)N2CCC(CC2)NC(=S)Nc2cccnc2)cc1
Show InChI InChI=1S/C22H22FN5OS/c23-16-3-5-19(6-4-16)29-20-7-11-25-21(14-20)28-12-8-17(9-13-28)26-22(30)27-18-2-1-10-24-15-18/h1-7,10-11,14-15,17H,8-9,12-13H2,(H2,26,27,30)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JJH350 binding to ABHD12 in mouse brain membrane proteome incubated for 20 mins by CuAAC fluorescence dependent gel-based competitive A...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526071
PNG
(CHEMBL4472253)
Show SMILES FC(F)(F)c1cc(ncc1Cl)N1CCC(CC1)NC(=S)Nc1cccnc1
Show InChI InChI=1S/C17H17ClF3N5S/c18-14-10-23-15(8-13(14)17(19,20)21)26-6-3-11(4-7-26)24-16(27)25-12-2-1-5-22-9-12/h1-2,5,8-11H,3-4,6-7H2,(H2,24,25,27)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JJH350 binding to ABHD12 in mouse brain membrane proteome incubated for 20 mins by CuAAC fluorescence dependent gel-based competitive A...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526092
PNG
(CHEMBL4437478)
Show SMILES S=C(NC1CCN(CC1)c1cc(Oc2ccccc2)ccn1)Nc1cccnc1
Show InChI InChI=1S/C22H23N5OS/c29-22(26-18-5-4-11-23-16-18)25-17-9-13-27(14-10-17)21-15-20(8-12-24-21)28-19-6-2-1-3-7-19/h1-8,11-12,15-17H,9-10,13-14H2,(H2,25,26,29)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JJH350 binding to ABHD12 in mouse brain membrane proteome incubated for 20 mins by CuAAC fluorescence dependent gel-based competitive A...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526077
PNG
(CHEMBL4578304)
Show SMILES FC(F)(F)c1ccc(nc1)N1CCC(CC1)NC(=S)Nc1cccnc1
Show InChI InChI=1S/C17H18F3N5S/c18-17(19,20)12-3-4-15(22-10-12)25-8-5-13(6-9-25)23-16(26)24-14-2-1-7-21-11-14/h1-4,7,10-11,13H,5-6,8-9H2,(H2,23,24,26)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JJH350 binding to ABHD12 in mouse brain membrane proteome incubated for 20 mins by CuAAC fluorescence dependent gel-based competitive A...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526097
PNG
(CHEMBL4593100)
Show SMILES Clc1ccnc(c1)N1CCC(CC1)NC(=S)Nc1cccnc1
Show InChI InChI=1S/C16H18ClN5S/c17-12-3-7-19-15(10-12)22-8-4-13(5-9-22)20-16(23)21-14-2-1-6-18-11-14/h1-3,6-7,10-11,13H,4-5,8-9H2,(H2,20,21,23)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JJH350 binding to ABHD12 in mouse brain membrane proteome incubated for 20 mins by CuAAC fluorescence dependent gel-based competitive A...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526086
PNG
(CHEMBL4592175)
Show SMILES FC(F)(F)Oc1ccc(Oc2ccnc(N3CCC(CC3)NC(=S)Nc3cccnc3)c2C(F)(F)F)cc1
Show InChI InChI=1S/C24H21F6N5O2S/c25-23(26,27)20-19(36-17-3-5-18(6-4-17)37-24(28,29)30)7-11-32-21(20)35-12-8-15(9-13-35)33-22(38)34-16-2-1-10-31-14-16/h1-7,10-11,14-15H,8-9,12-13H2,(H2,33,34,38)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JJH350 binding to ABHD12 in mouse brain membrane proteome incubated for 20 mins by CuAAC fluorescence dependent gel-based competitive A...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526082
PNG
(CHEMBL4464306)
Show SMILES S=C(NC1CCN(CC1)c1cc(OCc2ccccc2)ccn1)Nc1cccnc1
Show InChI InChI=1S/C23H25N5OS/c30-23(27-20-7-4-11-24-16-20)26-19-9-13-28(14-10-19)22-15-21(8-12-25-22)29-17-18-5-2-1-3-6-18/h1-8,11-12,15-16,19H,9-10,13-14,17H2,(H2,26,27,30)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JJH350 binding to ABHD12 in mouse brain membrane proteome incubated for 20 mins by CuAAC fluorescence dependent gel-based competitive A...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526089
PNG
(CHEMBL4561463)
Show SMILES COc1ccc(Oc2ccnc(c2)N2CCC(CC2)NC(=S)Nc2cccnc2)cc1
Show InChI InChI=1S/C23H25N5O2S/c1-29-19-4-6-20(7-5-19)30-21-8-12-25-22(15-21)28-13-9-17(10-14-28)26-23(31)27-18-3-2-11-24-16-18/h2-8,11-12,15-17H,9-10,13-14H2,1H3,(H2,26,27,31)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JJH350 binding to ABHD12 in mouse brain membrane proteome incubated for 20 mins by CuAAC fluorescence dependent gel-based competitive A...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526095
PNG
(CHEMBL4573670)
Show SMILES Cc1cnc(N2CCC(CC2)NC(=S)Nc2cccnc2)c(Cl)c1
Show InChI InChI=1S/C17H20ClN5S/c1-12-9-15(18)16(20-10-12)23-7-4-13(5-8-23)21-17(24)22-14-3-2-6-19-11-14/h2-3,6,9-11,13H,4-5,7-8H2,1H3,(H2,21,22,24)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JJH350 binding to ABHD12 in mouse brain membrane proteome incubated for 20 mins by CuAAC fluorescence dependent gel-based competitive A...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526081
PNG
(CHEMBL4572043)
Show SMILES S=C(NC1CCN(CC1)c1cc(OC2CCCCC2)ccn1)Nc1cccnc1
Show InChI InChI=1S/C22H29N5OS/c29-22(26-18-5-4-11-23-16-18)25-17-9-13-27(14-10-17)21-15-20(8-12-24-21)28-19-6-2-1-3-7-19/h4-5,8,11-12,15-17,19H,1-3,6-7,9-10,13-14H2,(H2,25,26,29)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JJH350 binding to ABHD12 in mouse brain membrane proteome incubated for 20 mins by CuAAC fluorescence dependent gel-based competitive A...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526091
PNG
(CHEMBL4539501)
Show SMILES S=C(NC1CCN(CC1)c1cc(OCC2CC2)ccn1)Nc1cccnc1
Show InChI InChI=1S/C20H25N5OS/c27-20(24-17-2-1-8-21-13-17)23-16-6-10-25(11-7-16)19-12-18(5-9-22-19)26-14-15-3-4-15/h1-2,5,8-9,12-13,15-16H,3-4,6-7,10-11,14H2,(H2,23,24,27)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JJH350 binding to ABHD12 in mouse brain membrane proteome incubated for 20 mins by CuAAC fluorescence dependent gel-based competitive A...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526093
PNG
(CHEMBL4450251)
Show SMILES COc1ccnc(c1)N1CCC(CC1)NC(=S)Nc1cccnc1
Show InChI InChI=1S/C17H21N5OS/c1-23-15-4-8-19-16(11-15)22-9-5-13(6-10-22)20-17(24)21-14-3-2-7-18-12-14/h2-4,7-8,11-13H,5-6,9-10H2,1H3,(H2,20,21,24)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JJH350 binding to ABHD12 in mouse brain membrane proteome incubated for 20 mins by CuAAC fluorescence dependent gel-based competitive A...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526090
PNG
(CHEMBL4553633)
Show SMILES FC(F)(F)c1cccnc1N1CCC(CC1)NC(=S)Nc1cccnc1
Show InChI InChI=1S/C17H18F3N5S/c18-17(19,20)14-4-2-8-22-15(14)25-9-5-12(6-10-25)23-16(26)24-13-3-1-7-21-11-13/h1-4,7-8,11-12H,5-6,9-10H2,(H2,23,24,26)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JJH350 binding to ABHD12 in mouse brain membrane proteome incubated for 20 mins by CuAAC fluorescence dependent gel-based competitive A...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526076
PNG
(CHEMBL4538420)
Show SMILES Clc1cccnc1N1CCC(CC1)NC(=S)Nc1cccnc1
Show InChI InChI=1S/C16H18ClN5S/c17-14-4-2-8-19-15(14)22-9-5-12(6-10-22)20-16(23)21-13-3-1-7-18-11-13/h1-4,7-8,11-12H,5-6,9-10H2,(H2,20,21,23)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JJH350 binding to ABHD12 in mouse brain membrane proteome incubated for 20 mins by CuAAC fluorescence dependent gel-based competitive A...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50323040
PNG
(1-(3-Thiophen-2-yl-phenyl)-ethanone, O-(phenylamin...)
Show SMILES CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 |w:2.2|
Show InChI InChI=1S/C19H16N2O2S/c1-14(21-23-19(22)20-17-9-3-2-4-10-17)15-7-5-8-16(13-15)18-11-6-12-24-18/h2-13H,1H3,(H,20,22)
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Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of mouse brain MAGL


Bioorg Med Chem Lett 20: 4406-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.050
BindingDB Entry DOI: 10.7270/Q24Q7V5B
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526073
PNG
(CHEMBL4462816)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)ON1C(=O)C2CN(Cc3ccc(Oc4ccccc4)cc3)CCN2C1=O
Show InChI InChI=1S/C31H33N5O6/c1-40-25-13-9-24(10-14-25)33-16-18-34(19-17-33)31(39)42-36-29(37)28-22-32(15-20-35(28)30(36)38)21-23-7-11-27(12-8-23)41-26-5-3-2-4-6-26/h2-14,28H,15-22H2,1H3
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-Rh probe binding to ABHD12 in mouse brain membrane proteome incubated for 45 mins by CuAAC fluorescence dependent gel-based competit...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526074
PNG
(CHEMBL4467435)
Show SMILES Cc1cnc(N2CCN(CC2)NC(=S)Nc2cccnc2)c(Cl)c1
Show InChI InChI=1S/C16H19ClN6S/c1-12-9-14(17)15(19-10-12)22-5-7-23(8-6-22)21-16(24)20-13-3-2-4-18-11-13/h2-4,9-11H,5-8H2,1H3,(H2,20,21,24)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JJH350 binding to ABHD12 in mouse brain membrane proteome incubated for 20 mins by CuAAC fluorescence dependent gel-based competitive A...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526068
PNG
(CHEMBL4529112)
Show SMILES FC(F)(F)Oc1ccc(Oc2ccnc(N3CCCC(C3)NC(=S)Nc3cccnc3)c2Cl)c(Cl)c1
Show InChI InChI=1S/C23H20Cl2F3N5O2S/c24-17-11-16(35-23(26,27)28)5-6-18(17)34-19-7-9-30-21(20(19)25)33-10-2-4-15(13-33)32-22(36)31-14-3-1-8-29-12-14/h1,3,5-9,11-12,15H,2,4,10,13H2,(H2,31,32,36)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JJH350 binding to ABHD12 in mouse brain membrane proteome incubated for 20 mins by CuAAC fluorescence dependent gel-based competitive A...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526083
PNG
(CHEMBL4585499)
Show SMILES FC(F)(F)Oc1ccc(Oc2ccnc(N3CCC[C@H](C3)NC(=S)Nc3cccnc3)c2Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C23H20Cl2F3N5O2S/c24-17-11-16(35-23(26,27)28)5-6-18(17)34-19-7-9-30-21(20(19)25)33-10-2-4-15(13-33)32-22(36)31-14-3-1-8-29-12-14/h1,3,5-9,11-12,15H,2,4,10,13H2,(H2,31,32,36)/t15-/m1/s1
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JJH350 binding to ABHD12 in mouse brain membrane proteome incubated for 20 mins by CuAAC fluorescence dependent gel-based competitive A...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Mus musculus)
BDBM50526098
PNG
(CHEMBL4442242)
Show SMILES FC(F)(F)Oc1ccc(Oc2ccnc(N3CCC[C@@H](C3)NC(=S)Nc3cccnc3)c2Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C23H20Cl2F3N5O2S/c24-17-11-16(35-23(26,27)28)5-6-18(17)34-19-7-9-30-21(20(19)25)33-10-2-4-15(13-33)32-22(36)31-14-3-1-8-29-12-14/h1,3,5-9,11-12,15H,2,4,10,13H2,(H2,31,32,36)/t15-/m0/s1
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JJH350 binding to ABHD12 in mouse brain membrane proteome incubated for 20 mins by CuAAC fluorescence dependent gel-based competitive A...


J Med Chem 62: 1643-1656 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01958
BindingDB Entry DOI: 10.7270/Q2377D4C
More data for this
Ligand-Target Pair