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5 similar compounds to monomer 50211271

Compile data set for download or QSAR
Wt: 422.5
BDBM50211266
Wt: 504.5
BDBM50211268
Wt: 502.5
BDBM50211275
Wt: 370.4
BDBM50211281
Wt: 390.4
BDBM50211276

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50211266,50211268,50211275,50211281,50211276   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens (Human))
BDBM50211268
PNG
(CHEMBL3912754)
Show SMILES O[C@@H]1CC[C@H](Cc2ccccc2)N(C1)C(=O)n1ncc(n1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C28H26F2N4O3/c29-22-10-6-20(7-11-22)28(37,21-8-12-23(30)13-9-21)26-17-31-34(32-26)27(36)33-18-25(35)15-14-24(33)16-19-4-2-1-3-5-19/h1-13,17,24-25,35,37H,14-16,18H2/t24-,25-/m1/s1
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n/an/a 20n/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
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens (Human))
BDBM50211266
PNG
(CHEMBL3906477)
Show SMILES O=C(N1CCCC[C@@H]1Cc1ccccc1)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/t25-/m1/s1
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n/an/a 25n/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
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50211266
PNG
(CHEMBL3906477)
Show SMILES O=C(N1CCCC[C@@H]1Cc1ccccc1)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/t25-/m1/s1
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n/an/a 2.5n/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
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens (Human))
BDBM50211275
PNG
(CHEMBL3931744)
Show SMILES O[C@H]1CN([C@@H](Cc2ccccc2)C=C1)C(=O)n1ncc(n1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C28H24F2N4O3/c29-22-10-6-20(7-11-22)28(37,21-8-12-23(30)13-9-21)26-17-31-34(32-26)27(36)33-18-25(35)15-14-24(33)16-19-4-2-1-3-5-19/h1-15,17,24-25,35,37H,16,18H2/t24-,25-/m1/s1
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n/an/a 13n/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
Sn1-specific diacylglycerol lipase beta


(Mus musculus)
BDBM50211276
PNG
(CHEMBL1891894)
Show SMILES CCC1CCCCN1C(=O)n1ncc(n1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H26N4O2/c1-2-20-15-9-10-16-26(20)22(28)27-24-17-21(25-27)23(29,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17,20,29H,2,9-10,15-16H2,1H3
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n/an/a 1.26E+4n/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
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50211275
PNG
(CHEMBL3931744)
Show SMILES O[C@H]1CN([C@@H](Cc2ccccc2)C=C1)C(=O)n1ncc(n1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C28H24F2N4O3/c29-22-10-6-20(7-11-22)28(37,21-8-12-23(30)13-9-21)26-17-31-34(32-26)27(36)33-18-25(35)15-14-24(33)16-19-4-2-1-3-5-19/h1-15,17,24-25,35,37H,16,18H2/t24-,25-/m1/s1
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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
Acyl-protein thioesterase 1


(Homo sapiens (Human))
BDBM50211276
PNG
(CHEMBL1891894)
Show SMILES CCC1CCCCN1C(=O)n1ncc(n1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H26N4O2/c1-2-20-15-9-10-16-26(20)22(28)27-24-17-21(25-27)23(29,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17,20,29H,2,9-10,15-16H2,1H3
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n/an/a>1n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human APT1


Medchemcomm 5: 268-276 (2014)


Article DOI: 10.1039/c3md00333g
BindingDB Entry DOI: 10.7270/Q2TX3JBM
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Mus musculus)
BDBM50211266
PNG
(CHEMBL3906477)
Show SMILES O=C(N1CCCC[C@@H]1Cc1ccccc1)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/t25-/m1/s1
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n/an/a 7.90n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


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


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
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens (Human))
BDBM50211276
PNG
(CHEMBL1891894)
Show SMILES CCC1CCCCN1C(=O)n1ncc(n1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H26N4O2/c1-2-20-15-9-10-16-26(20)22(28)27-24-17-21(25-27)23(29,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17,20,29H,2,9-10,15-16H2,1H3
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n/an/a 63n/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
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens (Human))
BDBM50211266
PNG
(CHEMBL3906477)
Show SMILES O=C(N1CCCC[C@@H]1Cc1ccccc1)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/t25-/m1/s1
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n/an/a 0.794n/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
Platelet glycoprotein VI


(Homo sapiens (Human))
BDBM50211281
PNG
(CHEMBL3894250)
Show SMILES C(CCc1ccccc1)COc1ccc(cc1)-c1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C23H22N4O/c1-2-7-18(8-3-1)9-4-5-16-28-22-14-12-19(13-15-22)20-10-6-11-21(17-20)23-24-26-27-25-23/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,24,25,26,27)
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n/an/an/a 8.5n/an/an/an/an/a



Academy of Scientific and Innovative Research

Curated by ChEMBL


Assay Description
Binding affinity to GP6 receptor (unknown origin) by NMR method


J Med Chem 60: 322-337 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01360
BindingDB Entry DOI: 10.7270/Q24T6MJ1
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 2


(Homo sapiens (Human))
BDBM50211276
PNG
(CHEMBL1891894)
Show SMILES CCC1CCCCN1C(=O)n1ncc(n1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H26N4O2/c1-2-20-15-9-10-16-26(20)22(28)27-24-17-21(25-27)23(29,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17,20,29H,2,9-10,15-16H2,1H3
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n/an/a>1n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human APT2


Medchemcomm 5: 268-276 (2014)


Article DOI: 10.1039/c3md00333g
BindingDB Entry DOI: 10.7270/Q2TX3JBM
More data for this
Ligand-Target Pair
Protein ABHD11


(Homo sapiens)
BDBM50211276
PNG
(CHEMBL1891894)
Show SMILES CCC1CCCCN1C(=O)n1ncc(n1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H26N4O2/c1-2-20-15-9-10-16-26(20)22(28)27-24-17-21(25-27)23(29,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17,20,29H,2,9-10,15-16H2,1H3
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n/an/a<30n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of ABHD11 (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
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50211268
PNG
(CHEMBL3912754)
Show SMILES O[C@@H]1CC[C@H](Cc2ccccc2)N(C1)C(=O)n1ncc(n1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C28H26F2N4O3/c29-22-10-6-20(7-11-22)28(37,21-8-12-23(30)13-9-21)26-17-31-34(32-26)27(36)33-18-25(35)15-14-24(33)16-19-4-2-1-3-5-19/h1-13,17,24-25,35,37H,14-16,18H2/t24-,25-/m1/s1
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n/an/a 158n/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