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SMILES: O=C(N1CCCCC1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=JKJMWHULJIOKPJ-UHFFFAOYSA-N

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 17 hits for monomerid = 50211236   
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
Diacylglycerol lipase-alpha


(Mus musculus)
BDBM50211236
PNG
(CHEMBL2144065)
Show SMILES O=C(N1CCCCC1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2
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0.350n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of mouse DAGL-alpha expressed in HEK293T cell membranes assessed as inhibition constant pre-incubated for 20 mins before PNP-butyrate subs...


J Med Chem 62: 7910-7922 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00686
BindingDB Entry DOI: 10.7270/Q2GQ724G
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))
BDBM50211236
PNG
(CHEMBL2144065)
Show SMILES O=C(N1CCCCC1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2
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n/an/a 25n/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
BindingDB Entry DOI: 10.7270/Q20C508W
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50211236
PNG
(CHEMBL2144065)
Show SMILES O=C(N1CCCCC1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2
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n/an/a 40n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 using 2-AG as natural substrate by fluorescence based assay


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Diacylglycerol lipase-beta


(Mus musculus)
BDBM50211236
PNG
(CHEMBL2144065)
Show SMILES O=C(N1CCCCC1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2
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n/an/a 40n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of HT-01 probe binding to recombinant mouse DAGLbeta expressed in HEK293T cell membrane proteomes preincubated for 30 mins followed by HT-...


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))
BDBM50211236
PNG
(CHEMBL2144065)
Show SMILES O=C(N1CCCCC1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2
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n/an/a 2.30E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of HT-01 probe binding to recombinant human DAGLalpha expressed in HEK293T cell membrane proteomes preincubated for 30 mins followed by HT...


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Diacylglycerol lipase-beta


(Mus musculus)
BDBM50211236
PNG
(CHEMBL2144065)
Show SMILES O=C(N1CCCCC1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2
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n/an/a 79n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse DAGLbeta expressed in HEK293T cell membranes using PNP butyrate as substrate by colorimetric assay


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))
BDBM50211236
PNG
(CHEMBL2144065)
Show SMILES O=C(N1CCCCC1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2
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n/an/a 6.30n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human DAGLalpha expressed in HEK293T cell membranes using PNP butyrate as substrate by colorimetric assay


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Mus musculus)
BDBM50211236
PNG
(CHEMBL2144065)
Show SMILES O=C(N1CCCCC1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2
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n/an/a>1n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of mouse DAGL-alpha expressed in HEK293T cell membranes pre-incubated for 20 mins before PNP-butyrate substrate addition and measured afte...


J Med Chem 62: 7910-7922 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00686
BindingDB Entry DOI: 10.7270/Q2GQ724G
More data for this
Ligand-Target Pair
Diacylglycerol lipase-beta


(Mus musculus)
BDBM50211236
PNG
(CHEMBL2144065)
Show SMILES O=C(N1CCCCC1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2
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n/an/a 79n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of V-tagged mouse DAGLbeta expressed in HEK2934T cell membrane fractions using SAG as substrate assessed as accumulation of 2-AG preincuba...


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


Article DOI: 10.1016/j.bmcl.2016.06.076
BindingDB Entry DOI: 10.7270/Q20C508W
More data for this
Ligand-Target Pair
Diacylglycerol lipase-beta


(Mus musculus)
BDBM50211236
PNG
(CHEMBL2144065)
Show SMILES O=C(N1CCCCC1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2
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n/an/a 79n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of V-tagged mouse DAGLbeta expressed in HEK2934T cell membrane fractions using SAG as substrate assessed as accumulation of 2-AG preincuba...


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


Article DOI: 10.1016/j.bmcl.2016.06.076
BindingDB Entry DOI: 10.7270/Q20C508W
More data for this
Ligand-Target Pair
Diacylglycerol lipase-beta


(Mus musculus)
BDBM50211236
PNG
(CHEMBL2144065)
Show SMILES O=C(N1CCCCC1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2
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n/an/a 40n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition mouse DAGLbeta expressed in HEK293T cell membrane fractions using DAG as substrate preincubated for 30 mins followed by ABP HT01 probe add...


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


Article DOI: 10.1016/j.bmcl.2016.06.076
BindingDB Entry DOI: 10.7270/Q20C508W
More data for this
Ligand-Target Pair
Diacylglycerol lipase-beta


(Mus musculus)
BDBM50211236
PNG
(CHEMBL2144065)
Show SMILES O=C(N1CCCCC1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2
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n/an/a 40n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition mouse DAGLbeta expressed in HEK293T cell membrane fractions using DAG as substrate preincubated for 30 mins followed by ABP HT01 probe add...


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


Article DOI: 10.1016/j.bmcl.2016.06.076
BindingDB Entry DOI: 10.7270/Q20C508W
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))
BDBM50211236
PNG
(CHEMBL2144065)
Show SMILES O=C(N1CCCCC1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2
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n/an/a 2.51E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition human DAGLalpha expressed in HEK293T cell membrane fractions using DAG as substrate preincubated for 30 mins followed by ABP HT01 probe ad...


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


Article DOI: 10.1016/j.bmcl.2016.06.076
BindingDB Entry DOI: 10.7270/Q20C508W
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))
BDBM50211236
PNG
(CHEMBL2144065)
Show SMILES O=C(N1CCCCC1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2
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n/an/a 25n/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
BindingDB Entry DOI: 10.7270/Q20C508W
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))
BDBM50211236
PNG
(CHEMBL2144065)
Show SMILES O=C(N1CCCCC1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2
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n/an/a 2.51E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition human DAGLalpha expressed in HEK293T cell membrane fractions using DAG as substrate preincubated for 30 mins followed by ABP HT01 probe ad...


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


Article DOI: 10.1016/j.bmcl.2016.06.076
BindingDB Entry DOI: 10.7270/Q20C508W
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))
BDBM50211236
PNG
(CHEMBL2144065)
Show SMILES O=C(N1CCCCC1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2
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n/an/a 2.51E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of HT-01 probe binding to recombinant human DAGLalpha expressed in HEK293T cell membrane proteomes preincubated for 30 mins followed by HT...


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))
BDBM50211236
PNG
(CHEMBL2144065)
Show SMILES O=C(N1CCCCC1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2
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n/an/a 126n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAGLalpha expressed in HEK293T cell membranes overexpressing MAGL using natural substrate 1-stearoyl-2-arachidonoly-s...


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair