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Compile Data Set for Download or QSAR

Found 32 hits with Last Name = 'graziani' and Initial = 'a'   
Target/Host
(Institution)		LigandTarget/Host
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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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 0.450n/an/an/an/an/an/an/an/a



University of Piemonte Orientale

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor (unknown origin)

Eur J Med Chem 164: 378-390 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.061
BindingDB Entry DOI: 10.7270/Q2N01B01
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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 0.450n/an/an/an/an/an/an/an/a



University of Piemonte Orientale

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor (unknown origin)

Eur J Med Chem 164: 378-390 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.061
BindingDB Entry DOI: 10.7270/Q2N01B01
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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 0.710n/an/an/an/an/an/an/an/a



University of Piemonte Orientale

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor (unknown origin)

Eur J Med Chem 164: 378-390 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.061
BindingDB Entry DOI: 10.7270/Q2N01B01
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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 0.710n/an/an/an/an/an/an/an/a



University of Piemonte Orientale

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor (unknown origin)

Eur J Med Chem 164: 378-390 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.061
BindingDB Entry DOI: 10.7270/Q2N01B01
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Homo sapiens)		BDBM50529935
PNG
(COCHLIOQUINONE A)
Show SMILES CC[C@H](C)[C@@H](OC(C)=O)[C@@H](C)C1=CC(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@H](CC[C@]4(C)[C@H]3[C@@H]2O)C(C)(C)O)C1=O |r,t:11,15|
Show InChI InChI=1S/C30H44O8/c1-9-15(2)25(36-17(4)31)16(3)18-14-19(32)22-24(34)27-29(7)12-10-20(28(5,6)35)37-21(29)11-13-30(27,8)38-26(22)23(18)33/h14-16,20-21,24-25,27,34-35H,9-13H2,1-8H3/t15-,16-,20+,21+,24+,25+,27+,29-,30+/m0/s1
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 2.26E+3n/an/an/an/an/an/an/an/a



University of Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of DGKalpha in human erythrocytes using OAG as substrate preincubated for 1 min followed by OAG addition and measured after 8 mins in pres...

Eur J Med Chem 164: 378-390 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.061
BindingDB Entry DOI: 10.7270/Q2N01B01
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Homo sapiens)		BDBM50529935
PNG
(COCHLIOQUINONE A)
Show SMILES CC[C@H](C)[C@@H](OC(C)=O)[C@@H](C)C1=CC(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@H](CC[C@]4(C)[C@H]3[C@@H]2O)C(C)(C)O)C1=O |r,t:11,15|
Show InChI InChI=1S/C30H44O8/c1-9-15(2)25(36-17(4)31)16(3)18-14-19(32)22-24(34)27-29(7)12-10-20(28(5,6)35)37-21(29)11-13-30(27,8)38-26(22)23(18)33/h14-16,20-21,24-25,27,34-35H,9-13H2,1-8H3/t15-,16-,20+,21+,24+,25+,27+,29-,30+/m0/s1
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 2.26E+3n/an/an/an/an/an/an/an/a



University of Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of DGKalpha in human erythrocytes using OAG as substrate preincubated for 1 min followed by OAG addition and measured after 8 mins in pres...

Eur J Med Chem 164: 378-390 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.061
BindingDB Entry DOI: 10.7270/Q2N01B01
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Homo sapiens)		BDBM50529932
PNG
(STEMPHONE)
Show SMILES C\C=C(/C)[C@@H](OC(C)=O)[C@@H](C)C1=CC(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@H](CC[C@]4(C)[C@H]3[C@@H]2O)C(C)(C)O)C1=O |r,t:11,15|
Show InChI InChI=1S/C30H42O8/c1-9-15(2)25(36-17(4)31)16(3)18-14-19(32)22-24(34)27-29(7)12-10-20(28(5,6)35)37-21(29)11-13-30(27,8)38-26(22)23(18)33/h9,14,16,20-21,24-25,27,34-35H,10-13H2,1-8H3/b15-9+/t16-,20+,21+,24+,25+,27+,29-,30+/m0/s1
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 3.32E+3n/an/an/an/an/an/an/an/a



University of Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of DGKalpha in human erythrocytes using OAG as substrate preincubated for 1 min followed by OAG addition and measured after 8 mins in pres...

Eur J Med Chem 164: 378-390 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.061
BindingDB Entry DOI: 10.7270/Q2N01B01
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Homo sapiens)		BDBM50529932
PNG
(STEMPHONE)
Show SMILES C\C=C(/C)[C@@H](OC(C)=O)[C@@H](C)C1=CC(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@H](CC[C@]4(C)[C@H]3[C@@H]2O)C(C)(C)O)C1=O |r,t:11,15|
Show InChI InChI=1S/C30H42O8/c1-9-15(2)25(36-17(4)31)16(3)18-14-19(32)22-24(34)27-29(7)12-10-20(28(5,6)35)37-21(29)11-13-30(27,8)38-26(22)23(18)33/h9,14,16,20-21,24-25,27,34-35H,10-13H2,1-8H3/b15-9+/t16-,20+,21+,24+,25+,27+,29-,30+/m0/s1
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 3.32E+3n/an/an/an/an/an/an/an/a



University of Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of DGKalpha in human erythrocytes using OAG as substrate preincubated for 1 min followed by OAG addition and measured after 8 mins in pres...

Eur J Med Chem 164: 378-390 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.061
BindingDB Entry DOI: 10.7270/Q2N01B01
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Homo sapiens)		BDBM50529934
PNG
(ETHYLENE GLYCOL DIOCTANOATE)
Show SMILES CCCCCCCC(=O)OCCOC(=O)CCCCCCC
Show InChI InChI=1S/C18H34O4/c1-3-5-7-9-11-13-17(19)21-15-16-22-18(20)14-12-10-8-6-4-2/h3-16H2,1-2H3
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 5.80E+4n/an/an/an/an/an/an/an/a



University of Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of DGKalpha in human erythrocytes using OAG as substrate preincubated for 1 min followed by OAG addition and measured after 8 mins in pres...

Eur J Med Chem 164: 378-390 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.061
BindingDB Entry DOI: 10.7270/Q2N01B01
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Homo sapiens)		BDBM50529934
PNG
(ETHYLENE GLYCOL DIOCTANOATE)
Show SMILES CCCCCCCC(=O)OCCOC(=O)CCCCCCC
Show InChI InChI=1S/C18H34O4/c1-3-5-7-9-11-13-17(19)21-15-16-22-18(20)14-12-10-8-6-4-2/h3-16H2,1-2H3
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 5.80E+4n/an/an/an/an/an/an/an/a



University of Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of DGKalpha in human erythrocytes using OAG as substrate preincubated for 1 min followed by OAG addition and measured after 8 mins in pres...

Eur J Med Chem 164: 378-390 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.061
BindingDB Entry DOI: 10.7270/Q2N01B01
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Homo sapiens)		BDBM50529937
PNG
(CHEBI:75342 | Glyceryl monooleate)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)CO
Show InChI InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
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 9.10E+4n/an/an/an/an/an/an/an/a



University of Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of DGKalpha in human erythrocytes using OAG as substrate preincubated for 1 min followed by OAG addition and measured after 8 mins in pres...

Eur J Med Chem 164: 378-390 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.061
BindingDB Entry DOI: 10.7270/Q2N01B01
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Homo sapiens)		BDBM50529937
PNG
(CHEBI:75342 | Glyceryl monooleate)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)CO
Show InChI InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
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 9.10E+4n/an/an/an/an/an/an/an/a



University of Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of DGKalpha in human erythrocytes using OAG as substrate preincubated for 1 min followed by OAG addition and measured after 8 mins in pres...

Eur J Med Chem 164: 378-390 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.061
BindingDB Entry DOI: 10.7270/Q2N01B01
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Homo sapiens)		BDBM43868
PNG
(3-[2-[4-[bis(4-fluorophenyl)methylene]piperidino]e...)
Show SMILES Fc1ccc(cc1)C(=C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1)c1ccc(F)cc1 |(8.41,-6.25,;8.41,-4.71,;9.75,-3.94,;9.75,-2.4,;8.41,-1.63,;7.08,-2.4,;7.08,-3.94,;8.41,-.09,;9.75,.68,;9.75,2.22,;11.08,2.99,;12.42,2.22,;13.75,2.99,;15.08,2.22,;16.42,2.99,;16.42,4.53,;15.08,5.3,;17.75,5.3,;19.08,4.53,;20.46,5.35,;21.86,4.56,;21.86,2.96,;20.46,2.16,;19.08,2.99,;17.75,2.22,;17.75,.68,;12.42,.68,;11.08,-.09,;7.08,.68,;5.75,-.09,;4.41,.68,;4.41,2.22,;3.08,2.99,;5.75,2.99,;7.08,2.22,)|
Show InChI InChI=1S/C28H25F2N3OS/c29-22-9-5-19(6-10-22)26(20-7-11-23(30)12-8-20)21-13-15-32(16-14-21)17-18-33-27(34)24-3-1-2-4-25(24)31-28(33)35/h1-12H,13-18H2,(H,31,35)
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n/an/a 300n/an/an/an/an/an/a



University of Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of DGKalpha in human erythrocytes using OAG as substrate preincubated for 1 min followed by OAG addition and measured after 8 mins in pres...

Eur J Med Chem 164: 378-390 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.061
BindingDB Entry DOI: 10.7270/Q2N01B01
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Homo sapiens)		BDBM43868
PNG
(3-[2-[4-[bis(4-fluorophenyl)methylene]piperidino]e...)
Show SMILES Fc1ccc(cc1)C(=C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1)c1ccc(F)cc1 |(8.41,-6.25,;8.41,-4.71,;9.75,-3.94,;9.75,-2.4,;8.41,-1.63,;7.08,-2.4,;7.08,-3.94,;8.41,-.09,;9.75,.68,;9.75,2.22,;11.08,2.99,;12.42,2.22,;13.75,2.99,;15.08,2.22,;16.42,2.99,;16.42,4.53,;15.08,5.3,;17.75,5.3,;19.08,4.53,;20.46,5.35,;21.86,4.56,;21.86,2.96,;20.46,2.16,;19.08,2.99,;17.75,2.22,;17.75,.68,;12.42,.68,;11.08,-.09,;7.08,.68,;5.75,-.09,;4.41,.68,;4.41,2.22,;3.08,2.99,;5.75,2.99,;7.08,2.22,)|
Show InChI InChI=1S/C28H25F2N3OS/c29-22-9-5-19(6-10-22)26(20-7-11-23(30)12-8-20)21-13-15-32(16-14-21)17-18-33-27(34)24-3-1-2-4-25(24)31-28(33)35/h1-12H,13-18H2,(H,31,35)
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n/an/a 300n/an/an/an/an/an/a



University of Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of DGKalpha in human erythrocytes using OAG as substrate preincubated for 1 min followed by OAG addition and measured after 8 mins in pres...

Eur J Med Chem 164: 378-390 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.061
BindingDB Entry DOI: 10.7270/Q2N01B01
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Sus scrofa)		BDBM50529936
PNG
(CHEMBL4558937)
Show SMILES O=C1N(NS(=O)(=O)c2ccccc2)C(=S)S\C1=C\C=C\c1ccco1
Show InChI InChI=1S/C16H12N2O4S3/c19-15-14(10-4-6-12-7-5-11-22-12)24-16(23)18(15)17-25(20,21)13-8-2-1-3-9-13/h1-11,17H/b6-4+,14-10+
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n/an/a 600n/an/an/an/an/an/a



University of Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of pig FLAG3-tagged DGKalpha expressed in African green monkey COS7 cells using 1,2-dioleoyl-sn-glycerol as substrate measured after 30 mi...

Eur J Med Chem 164: 378-390 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.061
BindingDB Entry DOI: 10.7270/Q2N01B01
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Sus scrofa)		BDBM50529936
PNG
(CHEMBL4558937)
Show SMILES O=C1N(NS(=O)(=O)c2ccccc2)C(=S)S\C1=C\C=C\c1ccco1
Show InChI InChI=1S/C16H12N2O4S3/c19-15-14(10-4-6-12-7-5-11-22-12)24-16(23)18(15)17-25(20,21)13-8-2-1-3-9-13/h1-11,17H/b6-4+,14-10+
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n/an/a 600n/an/an/an/an/an/a



University of Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of pig FLAG3-tagged DGKalpha expressed in African green monkey COS7 cells using 1,2-dioleoyl-sn-glycerol as substrate measured after 30 mi...

Eur J Med Chem 164: 378-390 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.061
BindingDB Entry DOI: 10.7270/Q2N01B01
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Homo sapiens)		BDBM50529938
PNG
(CHEMBL259388)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H26FN3OS/c1-19-24(26(32)31-17-18-33-27(31)29-19)13-16-30-14-11-22(12-15-30)25(20-5-3-2-4-6-20)21-7-9-23(28)10-8-21/h2-10,17-18H,11-16H2,1H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of DGKalpha in human erythrocytes using OAG as substrate preincubated for 1 min followed by OAG addition and measured after 8 mins in pres...

Eur J Med Chem 164: 378-390 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.061
BindingDB Entry DOI: 10.7270/Q2N01B01
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Homo sapiens)		BDBM50529938
PNG
(CHEMBL259388)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H26FN3OS/c1-19-24(26(32)31-17-18-33-27(31)29-19)13-16-30-14-11-22(12-15-30)25(20-5-3-2-4-6-20)21-7-9-23(28)10-8-21/h2-10,17-18H,11-16H2,1H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of DGKalpha in human erythrocytes using OAG as substrate preincubated for 1 min followed by OAG addition and measured after 8 mins in pres...

Eur J Med Chem 164: 378-390 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.061
BindingDB Entry DOI: 10.7270/Q2N01B01
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Homo sapiens)		BDBM50529933
PNG
(CHEMBL1494303)
Show SMILES Cc1[nH]c2cc(C)ccc2c1C(=O)CN1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C21H23N3O3/c1-14-5-6-16-17(12-14)22-15(2)20(16)18(25)13-23-7-9-24(10-8-23)21(26)19-4-3-11-27-19/h3-6,11-12,22H,7-10,13H2,1-2H3
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n/an/a 4.28E+3n/an/an/an/an/an/a



University of Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of OST-tagged DGKalpha (unknown origin) expressed in MDCK cell homogenates using DAG as substrate measured after 5 mins in presence of [ga...

Eur J Med Chem 164: 378-390 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.061
BindingDB Entry DOI: 10.7270/Q2N01B01
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Homo sapiens)		BDBM50529933
PNG
(CHEMBL1494303)
Show SMILES Cc1[nH]c2cc(C)ccc2c1C(=O)CN1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C21H23N3O3/c1-14-5-6-16-17(12-14)22-15(2)20(16)18(25)13-23-7-9-24(10-8-23)21(26)19-4-3-11-27-19/h3-6,11-12,22H,7-10,13H2,1-2H3
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n/an/a 4.28E+3n/an/an/an/an/an/a



University of Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of OST-tagged DGKalpha (unknown origin) expressed in MDCK cell homogenates using DAG as substrate measured after 5 mins in presence of [ga...

Eur J Med Chem 164: 378-390 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.061
BindingDB Entry DOI: 10.7270/Q2N01B01
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Homo sapiens)		BDBM43868
PNG
(3-[2-[4-[bis(4-fluorophenyl)methylene]piperidino]e...)
Show SMILES Fc1ccc(cc1)C(=C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1)c1ccc(F)cc1 |(8.41,-6.25,;8.41,-4.71,;9.75,-3.94,;9.75,-2.4,;8.41,-1.63,;7.08,-2.4,;7.08,-3.94,;8.41,-.09,;9.75,.68,;9.75,2.22,;11.08,2.99,;12.42,2.22,;13.75,2.99,;15.08,2.22,;16.42,2.99,;16.42,4.53,;15.08,5.3,;17.75,5.3,;19.08,4.53,;20.46,5.35,;21.86,4.56,;21.86,2.96,;20.46,2.16,;19.08,2.99,;17.75,2.22,;17.75,.68,;12.42,.68,;11.08,-.09,;7.08,.68,;5.75,-.09,;4.41,.68,;4.41,2.22,;3.08,2.99,;5.75,2.99,;7.08,2.22,)|
Show InChI InChI=1S/C28H25F2N3OS/c29-22-9-5-19(6-10-22)26(20-7-11-23(30)12-8-20)21-13-15-32(16-14-21)17-18-33-27(34)24-3-1-2-4-25(24)31-28(33)35/h1-12H,13-18H2,(H,31,35)
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n/an/a 1.06E+4n/an/an/an/an/an/a



University of Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of OST-tagged DGKalpha (unknown origin) expressed in MDCK cell homogenates using DAG as substrate measured after 5 mins in presence of [ga...

Eur J Med Chem 164: 378-390 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.061
BindingDB Entry DOI: 10.7270/Q2N01B01
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Homo sapiens)		BDBM43868
PNG
(3-[2-[4-[bis(4-fluorophenyl)methylene]piperidino]e...)
Show SMILES Fc1ccc(cc1)C(=C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1)c1ccc(F)cc1 |(8.41,-6.25,;8.41,-4.71,;9.75,-3.94,;9.75,-2.4,;8.41,-1.63,;7.08,-2.4,;7.08,-3.94,;8.41,-.09,;9.75,.68,;9.75,2.22,;11.08,2.99,;12.42,2.22,;13.75,2.99,;15.08,2.22,;16.42,2.99,;16.42,4.53,;15.08,5.3,;17.75,5.3,;19.08,4.53,;20.46,5.35,;21.86,4.56,;21.86,2.96,;20.46,2.16,;19.08,2.99,;17.75,2.22,;17.75,.68,;12.42,.68,;11.08,-.09,;7.08,.68,;5.75,-.09,;4.41,.68,;4.41,2.22,;3.08,2.99,;5.75,2.99,;7.08,2.22,)|
Show InChI InChI=1S/C28H25F2N3OS/c29-22-9-5-19(6-10-22)26(20-7-11-23(30)12-8-20)21-13-15-32(16-14-21)17-18-33-27(34)24-3-1-2-4-25(24)31-28(33)35/h1-12H,13-18H2,(H,31,35)
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n/an/a 1.06E+4n/an/an/an/an/an/a



University of Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of OST-tagged DGKalpha (unknown origin) expressed in MDCK cell homogenates using DAG as substrate measured after 5 mins in presence of [ga...

Eur J Med Chem 164: 378-390 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.061
BindingDB Entry DOI: 10.7270/Q2N01B01
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Homo sapiens)		BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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n/an/a 1.67E+4n/an/an/an/an/an/a



University of Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of OST-tagged DGKalpha (unknown origin) expressed in MDCK cell homogenates using DAG as substrate measured after 5 mins in presence of [ga...

Eur J Med Chem 164: 378-390 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.061
BindingDB Entry DOI: 10.7270/Q2N01B01
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Homo sapiens)		BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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n/an/a 1.67E+4n/an/an/an/an/an/a



University of Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of OST-tagged DGKalpha (unknown origin) expressed in MDCK cell homogenates using DAG as substrate measured after 5 mins in presence of [ga...

Eur J Med Chem 164: 378-390 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.061
BindingDB Entry DOI: 10.7270/Q2N01B01
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Sus scrofa)		BDBM43868
PNG
(3-[2-[4-[bis(4-fluorophenyl)methylene]piperidino]e...)
Show SMILES Fc1ccc(cc1)C(=C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1)c1ccc(F)cc1 |(8.41,-6.25,;8.41,-4.71,;9.75,-3.94,;9.75,-2.4,;8.41,-1.63,;7.08,-2.4,;7.08,-3.94,;8.41,-.09,;9.75,.68,;9.75,2.22,;11.08,2.99,;12.42,2.22,;13.75,2.99,;15.08,2.22,;16.42,2.99,;16.42,4.53,;15.08,5.3,;17.75,5.3,;19.08,4.53,;20.46,5.35,;21.86,4.56,;21.86,2.96,;20.46,2.16,;19.08,2.99,;17.75,2.22,;17.75,.68,;12.42,.68,;11.08,-.09,;7.08,.68,;5.75,-.09,;4.41,.68,;4.41,2.22,;3.08,2.99,;5.75,2.99,;7.08,2.22,)|
Show InChI InChI=1S/C28H25F2N3OS/c29-22-9-5-19(6-10-22)26(20-7-11-23(30)12-8-20)21-13-15-32(16-14-21)17-18-33-27(34)24-3-1-2-4-25(24)31-28(33)35/h1-12H,13-18H2,(H,31,35)
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of pig FLAG3-tagged DGKalpha expressed in African green monkey COS7 cells using 1,2-dioleoyl-sn-glycerol as substrate measured after 30 mi...

Eur J Med Chem 164: 378-390 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.061
BindingDB Entry DOI: 10.7270/Q2N01B01
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Sus scrofa)		BDBM43868
PNG
(3-[2-[4-[bis(4-fluorophenyl)methylene]piperidino]e...)
Show SMILES Fc1ccc(cc1)C(=C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1)c1ccc(F)cc1 |(8.41,-6.25,;8.41,-4.71,;9.75,-3.94,;9.75,-2.4,;8.41,-1.63,;7.08,-2.4,;7.08,-3.94,;8.41,-.09,;9.75,.68,;9.75,2.22,;11.08,2.99,;12.42,2.22,;13.75,2.99,;15.08,2.22,;16.42,2.99,;16.42,4.53,;15.08,5.3,;17.75,5.3,;19.08,4.53,;20.46,5.35,;21.86,4.56,;21.86,2.96,;20.46,2.16,;19.08,2.99,;17.75,2.22,;17.75,.68,;12.42,.68,;11.08,-.09,;7.08,.68,;5.75,-.09,;4.41,.68,;4.41,2.22,;3.08,2.99,;5.75,2.99,;7.08,2.22,)|
Show InChI InChI=1S/C28H25F2N3OS/c29-22-9-5-19(6-10-22)26(20-7-11-23(30)12-8-20)21-13-15-32(16-14-21)17-18-33-27(34)24-3-1-2-4-25(24)31-28(33)35/h1-12H,13-18H2,(H,31,35)
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of pig FLAG3-tagged DGKalpha expressed in African green monkey COS7 cells using 1,2-dioleoyl-sn-glycerol as substrate measured after 30 mi...

Eur J Med Chem 164: 378-390 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.061
BindingDB Entry DOI: 10.7270/Q2N01B01
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Homo sapiens)		BDBM50529938
PNG
(CHEMBL259388)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H26FN3OS/c1-19-24(26(32)31-17-18-33-27(31)29-19)13-16-30-14-11-22(12-15-30)25(20-5-3-2-4-6-20)21-7-9-23(28)10-8-21/h2-10,17-18H,11-16H2,1H3
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n/an/a 1.97E+4n/an/an/an/an/an/a



University of Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of OST-tagged DGKalpha (unknown origin) expressed in MDCK cell homogenates using DAG as substrate measured after 5 mins in presence of [ga...

Eur J Med Chem 164: 378-390 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.061
BindingDB Entry DOI: 10.7270/Q2N01B01
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Homo sapiens)		BDBM50529938
PNG
(CHEMBL259388)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H26FN3OS/c1-19-24(26(32)31-17-18-33-27(31)29-19)13-16-30-14-11-22(12-15-30)25(20-5-3-2-4-6-20)21-7-9-23(28)10-8-21/h2-10,17-18H,11-16H2,1H3
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n/an/a 1.97E+4n/an/an/an/an/an/a



University of Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of OST-tagged DGKalpha (unknown origin) expressed in MDCK cell homogenates using DAG as substrate measured after 5 mins in presence of [ga...

Eur J Med Chem 164: 378-390 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.061
BindingDB Entry DOI: 10.7270/Q2N01B01
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Rattus norvegicus)		BDBM50529938
PNG
(CHEMBL259388)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H26FN3OS/c1-19-24(26(32)31-17-18-33-27(31)29-19)13-16-30-14-11-22(12-15-30)25(20-5-3-2-4-6-20)21-7-9-23(28)10-8-21/h2-10,17-18H,11-16H2,1H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of rat FLAG-tagged DGKalpha expressed in HEK293T cells using DAG as substrate measured after 15 mins in presence of [gamma-32P]ATP by scin...

Eur J Med Chem 164: 378-390 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.061
BindingDB Entry DOI: 10.7270/Q2N01B01
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Rattus norvegicus)		BDBM50529938
PNG
(CHEMBL259388)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H26FN3OS/c1-19-24(26(32)31-17-18-33-27(31)29-19)13-16-30-14-11-22(12-15-30)25(20-5-3-2-4-6-20)21-7-9-23(28)10-8-21/h2-10,17-18H,11-16H2,1H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of rat FLAG-tagged DGKalpha expressed in HEK293T cells using DAG as substrate measured after 15 mins in presence of [gamma-32P]ATP by scin...

Eur J Med Chem 164: 378-390 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.061
BindingDB Entry DOI: 10.7270/Q2N01B01
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Sus scrofa)		BDBM50529938
PNG
(CHEMBL259388)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H26FN3OS/c1-19-24(26(32)31-17-18-33-27(31)29-19)13-16-30-14-11-22(12-15-30)25(20-5-3-2-4-6-20)21-7-9-23(28)10-8-21/h2-10,17-18H,11-16H2,1H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of pig FLAG3-tagged DGKalpha expressed in African green monkey COS7 cells using 1,2-dioleoyl-sn-glycerol as substrate measured after 30 mi...

Eur J Med Chem 164: 378-390 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.061
BindingDB Entry DOI: 10.7270/Q2N01B01
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Sus scrofa)		BDBM50529938
PNG
(CHEMBL259388)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H26FN3OS/c1-19-24(26(32)31-17-18-33-27(31)29-19)13-16-30-14-11-22(12-15-30)25(20-5-3-2-4-6-20)21-7-9-23(28)10-8-21/h2-10,17-18H,11-16H2,1H3
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UniChem
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PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



University of Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of pig FLAG3-tagged DGKalpha expressed in African green monkey COS7 cells using 1,2-dioleoyl-sn-glycerol as substrate measured after 30 mi...

Eur J Med Chem 164: 378-390 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.061
BindingDB Entry DOI: 10.7270/Q2N01B01
More data for this
Ligand-Target Pair