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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Sn1-specific diacylglycerol lipase beta' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sn1-specific diacylglycerol lipase beta


(Homo sapiens)
BDBM50148158
PNG
(CHEMBL3764017)
Show SMILES CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)C1(CCC1)c1cccc(c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C29H29Cl2NO5S/c1-28(2)12-9-20-16-25(7-8-26(20)37-28)38(35,36)32(18-27(33)34)29(10-4-11-29)22-6-3-5-19(13-22)21-14-23(30)17-24(31)15-21/h3,5-8,13-17H,4,9-12,18H2,1-2H3,(H,33,34)
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of DAGLbeta (unknown origin)


Bioorg Med Chem 24: 1455-68 (2016)

More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase beta


(Homo sapiens)
BDBM50147615
PNG
(CHEMBL3764876)
Show SMILES OC(=O)CN(c1cccc(c1)-c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C21H15Cl2F2NO5S/c22-18-6-2-5-17(20(18)23)13-3-1-4-14(11-13)26(12-19(27)28)32(29,30)16-9-7-15(8-10-16)31-21(24)25/h1-11,21H,12H2,(H,27,28)
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of DAGLbeta (unknown origin)


Bioorg Med Chem 24: 1455-68 (2016)

More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase beta


(Homo sapiens)
BDBM50240877
PNG
(CHEMBL158897 | Quinolyl derivatives | cyclohexanon...)
Show SMILES O=C(NCCCCCCNC(=O)ON=C1CCCCC1)ON=C1CCCCC1
Show InChI InChI=1S/C20H34N4O4/c25-19(27-23-17-11-5-3-6-12-17)21-15-9-1-2-10-16-22-20(26)28-24-18-13-7-4-8-14-18/h1-16H2,(H,21,25)(H,22,26)
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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 human recombinant DAGLbeta overexpressed in african green monkey COS7 cells


Bioorg Med Chem Lett 18: 5838-41 (2008)

More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase beta


(Homo sapiens)
BDBM24567
PNG
((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
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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 human recombinant DAGLbeta overexpressed in african green monkey COS7 cells


Bioorg Med Chem Lett 18: 5838-41 (2008)

More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase beta


(Homo sapiens)
BDBM50148187
PNG
(CHEMBL3764093)
Show SMILES OC(=O)CN(C1(CCC1)c1cccc(c1)-c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H19Cl4NO4S/c25-17-5-7-19(21(27)12-17)15-3-1-4-16(11-15)24(9-2-10-24)29(14-23(30)31)34(32,33)18-6-8-20(26)22(28)13-18/h1,3-8,11-13H,2,9-10,14H2,(H,30,31)
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n/an/a 80n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of DAGLbeta (unknown origin)


Bioorg Med Chem 24: 1455-68 (2016)

More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase beta


(Homo sapiens)
BDBM50147618
PNG
(CHEMBL3765022)
Show SMILES OC(=O)CN(C1(CCC1)c1ccc(cc1)-c1ccccc1OC(F)(F)F)S(=O)(=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C26H22F5NO6S/c27-24(28)37-19-10-12-20(13-11-19)39(35,36)32(16-23(33)34)25(14-3-15-25)18-8-6-17(7-9-18)21-4-1-2-5-22(21)38-26(29,30)31/h1-2,4-13,24H,3,14-16H2,(H,33,34)
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n/an/a 112n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of DAGLbeta (unknown origin)


Bioorg Med Chem 24: 1455-68 (2016)

More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase beta


(Homo sapiens)
BDBM50147617
PNG
(CHEMBL3765421)
Show SMILES OC(=O)CN(C1(CCC1)c1ccc(cc1)-c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C25H21Cl2F2NO5S/c26-18-6-11-21(22(27)14-18)16-2-4-17(5-3-16)25(12-1-13-25)30(15-23(31)32)36(33,34)20-9-7-19(8-10-20)35-24(28)29/h2-11,14,24H,1,12-13,15H2,(H,31,32)
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n/an/a 146n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of DAGLbeta (unknown origin)


Bioorg Med Chem 24: 1455-68 (2016)

More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase beta


(Homo sapiens)
BDBM24567
PNG
((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
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n/an/a 420n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of DAGLbeta (unknown origin)


Bioorg Med Chem 24: 1455-68 (2016)

More data for this
Ligand-Target Pair