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BDBM50048620 CHEMBL3319620

SMILES: CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)Cc1ccc(Oc2ccccc2)cc1

InChI Key: InChIKey=FOEGBOXMDBPYEV-UHFFFAOYSA-N

Data: 3 KI  7 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50048620   
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
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens (Human))
BDBM50048620
PNG
(CHEMBL3319620)
Show SMILES CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)Cc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H27NO6S/c1-26(2)15-14-20-16-23(12-13-24(20)33-26)34(30,31)27(18-25(28)29)17-19-8-10-22(11-9-19)32-21-6-4-3-5-7-21/h3-13,16H,14-15,17-18H2,1-2H3,(H,28,29)
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PubMed
700n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human DAGLalpha expressed in HEK293T cell membranes assessed as reduction in hydrolysis of inhibition of [14C]-sn-1-oleoyl-2-arachidono...


J Med Chem 57: 6610-22 (2014)


Article DOI: 10.1021/jm500681z
BindingDB Entry DOI: 10.7270/Q2R49SD4
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50048620
PNG
(CHEMBL3319620)
Show SMILES CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)Cc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H27NO6S/c1-26(2)15-14-20-16-23(12-13-24(20)33-26)34(30,31)27(18-25(28)29)17-19-8-10-22(11-9-19)32-21-6-4-3-5-7-21/h3-13,16H,14-15,17-18H2,1-2H3,(H,28,29)
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800n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 (unknown origin)


Bioorg Med Chem 24: 1455-68 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4MBD
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50048620
PNG
(CHEMBL3319620)
Show SMILES CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)Cc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H27NO6S/c1-26(2)15-14-20-16-23(12-13-24(20)33-26)34(30,31)27(18-25(28)29)17-19-8-10-22(11-9-19)32-21-6-4-3-5-7-21/h3-13,16H,14-15,17-18H2,1-2H3,(H,28,29)
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800n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293T cell membranes assessed as reduction in glycerol production using 2-arachidonoyl glycerol substrate


J Med Chem 57: 6610-22 (2014)


Article DOI: 10.1021/jm500681z
BindingDB Entry DOI: 10.7270/Q2R49SD4
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens (Human))
BDBM50048620
PNG
(CHEMBL3319620)
Show SMILES CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)Cc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H27NO6S/c1-26(2)15-14-20-16-23(12-13-24(20)33-26)34(30,31)27(18-25(28)29)17-19-8-10-22(11-9-19)32-21-6-4-3-5-7-21/h3-13,16H,14-15,17-18H2,1-2H3,(H,28,29)
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n/an/a 18n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human DAGLalpha expressed in HEK293T cell membranes


J Med Chem 57: 6610-22 (2014)


Article DOI: 10.1021/jm500681z
BindingDB Entry DOI: 10.7270/Q2R49SD4
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Mus musculus)
BDBM50048620
PNG
(CHEMBL3319620)
Show SMILES CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)Cc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H27NO6S/c1-26(2)15-14-20-16-23(12-13-24(20)33-26)34(30,31)27(18-25(28)29)17-19-8-10-22(11-9-19)32-21-6-4-3-5-7-21/h3-13,16H,14-15,17-18H2,1-2H3,(H,28,29)
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PubMed
n/an/a 126n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of DAGLalpha in mouse brain proteome pre-incubated for 30 mins followed by ABP MB064 probe addition for 15 mins by ABPP assay


Bioorg Med Chem Lett 26: 3831-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.076
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens (Human))
BDBM50048620
PNG
(CHEMBL3319620)
Show SMILES CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)Cc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H27NO6S/c1-26(2)15-14-20-16-23(12-13-24(20)33-26)34(30,31)27(18-25(28)29)17-19-8-10-22(11-9-19)32-21-6-4-3-5-7-21/h3-13,16H,14-15,17-18H2,1-2H3,(H,28,29)
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n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of DAGLalpha (unknown origin)


Bioorg Med Chem 24: 1455-68 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4MBD
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens (Human))
BDBM50048620
PNG
(CHEMBL3319620)
Show SMILES CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)Cc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H27NO6S/c1-26(2)15-14-20-16-23(12-13-24(20)33-26)34(30,31)27(18-25(28)29)17-19-8-10-22(11-9-19)32-21-6-4-3-5-7-21/h3-13,16H,14-15,17-18H2,1-2H3,(H,28,29)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged DAGLalpha expressed in HEK293F cell membranes using 1-stearoyl-2-arachidonoyl-sn-glycerol as substrate preincubated fo...


Bioorg Med Chem Lett 26: 3831-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.076
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens (Human))
BDBM50048620
PNG
(CHEMBL3319620)
Show SMILES CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)Cc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H27NO6S/c1-26(2)15-14-20-16-23(12-13-24(20)33-26)34(30,31)27(18-25(28)29)17-19-8-10-22(11-9-19)32-21-6-4-3-5-7-21/h3-13,16H,14-15,17-18H2,1-2H3,(H,28,29)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged DAGLalpha expressed in HEK293F cell membranes using 1-stearoyl-2-arachidonoyl-sn-glycerol as substrate preincubated fo...


Bioorg Med Chem Lett 26: 3831-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.076
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Mus musculus)
BDBM50048620
PNG
(CHEMBL3319620)
Show SMILES CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)Cc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H27NO6S/c1-26(2)15-14-20-16-23(12-13-24(20)33-26)34(30,31)27(18-25(28)29)17-19-8-10-22(11-9-19)32-21-6-4-3-5-7-21/h3-13,16H,14-15,17-18H2,1-2H3,(H,28,29)
UniProtKB/SwissProt

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Article
PubMed
n/an/a 126n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of DAGLalpha in mouse brain proteome pre-incubated for 30 mins followed by ABP MB064 probe addition for 15 mins by ABPP assay


Bioorg Med Chem Lett 26: 3831-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.076
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Mus musculus)
BDBM50048620
PNG
(CHEMBL3319620)
Show SMILES CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)Cc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H27NO6S/c1-26(2)15-14-20-16-23(12-13-24(20)33-26)34(30,31)27(18-25(28)29)17-19-8-10-22(11-9-19)32-21-6-4-3-5-7-21/h3-13,16H,14-15,17-18H2,1-2H3,(H,28,29)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/a 124n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of MB064 labeling of DAGLalpha in mouse brain homogenates by activity based protein profiling assay


J Med Chem 57: 6610-22 (2014)


Article DOI: 10.1021/jm500681z
BindingDB Entry DOI: 10.7270/Q2R49SD4
More data for this
Ligand-Target Pair