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Compile Data Set for Download or QSAR

Found 237 hits with Last Name = 'addie' and Initial = 'm'   
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
Diacyl Glycerolacyltransferase 1 (DGAT-1)


(Rattus norvegicus (rat))
BDBM50385398
PNG
(CHEMBL2036730)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1
Show InChI InChI=1S/C23H22F2N4O4/c24-18-10-9-17(12-19(18)25)27-23-29-28-22(33-23)21(32)26-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-20(30)31/h5-10,12-14H,1-4,11H2,(H,26,32)(H,27,29)(H,30,31)/t13-,14-
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n/an/a 0.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of rat DGAT1


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50385398
PNG
(CHEMBL2036730)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1
Show InChI InChI=1S/C23H22F2N4O4/c24-18-10-9-17(12-19(18)25)27-23-29-28-22(33-23)21(32)26-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-20(30)31/h5-10,12-14H,1-4,11H2,(H,26,32)(H,27,29)(H,30,31)/t13-,14-
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n/an/a 0.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of DGAT1-mediated triacylglycerol synthesis in human HuTu80 cells


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50385398
PNG
(CHEMBL2036730)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1
Show InChI InChI=1S/C23H22F2N4O4/c24-18-10-9-17(12-19(18)25)27-23-29-28-22(33-23)21(32)26-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-20(30)31/h5-10,12-14H,1-4,11H2,(H,26,32)(H,27,29)(H,30,31)/t13-,14-
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n/an/a 0.600n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50385398
PNG
(CHEMBL2036730)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1
Show InChI InChI=1S/C23H22F2N4O4/c24-18-10-9-17(12-19(18)25)27-23-29-28-22(33-23)21(32)26-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-20(30)31/h5-10,12-14H,1-4,11H2,(H,26,32)(H,27,29)(H,30,31)/t13-,14-
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50427336
PNG
(CHEMBL2325992 | US9492453, 11)
Show SMILES CN(C)CCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H30ClN7O/c1-30(2)12-8-19(16-3-5-17(24)6-4-16)29-22(32)23(25)9-13-31(14-10-23)21-18-7-11-26-20(18)27-15-28-21/h3-7,11,15,19H,8-10,12-14,25H2,1-2H3,(H,29,32)(H,26,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50427361
PNG
(CHEMBL2325727 | US9492453, 11A)
Show SMILES CN(C)CC[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H30ClN7O/c1-30(2)12-8-19(16-3-5-17(24)6-4-16)29-22(32)23(25)9-13-31(14-10-23)21-18-7-11-26-20(18)27-15-28-21/h3-7,11,15,19H,8-10,12-14,25H2,1-2H3,(H,29,32)(H,26,27,28)/t19-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50427335
PNG
(CHEMBL2325993 | US9492453, 25)
Show SMILES CN(C)CCCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H32ClN7O/c1-31(2)13-3-4-20(17-5-7-18(25)8-6-17)30-23(33)24(26)10-14-32(15-11-24)22-19-9-12-27-21(19)28-16-29-22/h5-9,12,16,20H,3-4,10-11,13-15,26H2,1-2H3,(H,30,33)(H,27,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM256836
PNG
(BDBM50427349 | US9492453, 15)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@H](CCO)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H25ClN6O2/c22-15-3-1-14(2-4-15)17(6-12-29)27-20(30)21(23)7-10-28(11-8-21)19-16-5-9-24-18(16)25-13-26-19/h1-5,9,13,17,29H,6-8,10-12,23H2,(H,27,30)(H,24,25,26)/t17-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50427331
PNG
(CHEMBL2325728 | US9492453, 55)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H32ClN7O/c26-19-5-3-18(4-6-19)21(8-14-32-12-1-2-13-32)31-24(34)25(27)9-15-33(16-10-25)23-20-7-11-28-22(20)29-17-30-23/h3-7,11,17,21H,1-2,8-10,12-16,27H2,(H,31,34)(H,28,29,30)/t21-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50427360
PNG
(CHEMBL2325729 | US9492453, 52)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H34ClN7O/c27-20-6-4-19(5-7-20)22(9-15-33-13-2-1-3-14-33)32-25(35)26(28)10-16-34(17-11-26)24-21-8-12-29-23(21)30-18-31-24/h4-8,12,18,22H,1-3,9-11,13-17,28H2,(H,32,35)(H,29,30,31)/t22-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50427347
PNG
(CHEMBL2325743 | US9492453, 2)
Show SMILES C[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClN6O/c1-13(14-2-4-15(21)5-3-14)26-19(28)20(22)7-10-27(11-8-20)18-16-6-9-23-17(16)24-12-25-18/h2-6,9,12-13H,7-8,10-11,22H2,1H3,(H,26,28)(H,23,24,25)/t13-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50427335
PNG
(CHEMBL2325993 | US9492453, 25)
Show SMILES CN(C)CCCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H32ClN7O/c1-31(2)13-3-4-20(17-5-7-18(25)8-6-17)30-23(33)24(26)10-14-32(15-11-24)22-19-9-12-27-21(19)28-16-29-22/h5-9,12,16,20H,3-4,10-11,13-15,26H2,1-2H3,(H,30,33)(H,27,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt3 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM256836
PNG
(BDBM50427349 | US9492453, 15)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@H](CCO)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H25ClN6O2/c22-15-3-1-14(2-4-15)17(6-12-29)27-20(30)21(23)7-10-28(11-8-21)19-16-5-9-24-18(16)25-13-26-19/h1-5,9,13,17,29H,6-8,10-12,23H2,(H,27,30)(H,24,25,26)/t17-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50427334
PNG
(CHEMBL2325994 | US9492453, 47)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCCN1CCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H34ClN7O/c27-20-7-5-19(6-8-20)22(4-3-15-33-13-1-2-14-33)32-25(35)26(28)10-16-34(17-11-26)24-21-9-12-29-23(21)30-18-31-24/h5-9,12,18,22H,1-4,10-11,13-17,28H2,(H,32,35)(H,29,30,31)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50385439
PNG
(CHEMBL2036745)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cc1
Show InChI InChI=1S/C23H23FN4O4/c24-18-3-1-2-4-19(18)26-23-28-27-22(32-23)21(31)25-17-11-9-16(10-12-17)15-7-5-14(6-8-15)13-20(29)30/h1-4,9-12,14-15H,5-8,13H2,(H,25,31)(H,26,28)(H,29,30)/t14-,15-
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n/an/a 4.40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50427345
PNG
(CHEMBL2325983 | US9492453, 4)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H25ClN6O/c23-16-5-3-15(4-6-16)18(14-1-2-14)28-21(30)22(24)8-11-29(12-9-22)20-17-7-10-25-19(17)26-13-27-20/h3-7,10,13-14,18H,1-2,8-9,11-12,24H2,(H,28,30)(H,25,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (human))
BDBM50194411
PNG
((S)-2,3-dichloro-N-(1-(dimethylamino)-1-oxo-3-phen...)
Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1
Show InChI InChI=1S/C18H17Cl2N3O2S/c1-23(2)18(25)12(8-10-6-4-3-5-7-10)22-17(24)11-9-13-15(21-11)14(19)16(20)26-13/h3-7,9,12,21H,8H2,1-2H3,(H,22,24)/t12-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay


Bioorg Med Chem Lett 16: 5567-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50427332
PNG
(CHEMBL2325996 | US9492453, 49)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCCN1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H36ClN7O/c28-21-8-6-20(7-9-21)23(5-4-16-34-14-2-1-3-15-34)33-26(36)27(29)11-17-35(18-12-27)25-22-10-13-30-24(22)31-19-32-25/h6-10,13,19,23H,1-5,11-12,14-18,29H2,(H,33,36)(H,30,31,32)
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50427333
PNG
(CHEMBL2325995 | US9492453, 48)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCCN1CCOCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H34ClN7O2/c27-20-5-3-19(4-6-20)22(2-1-11-33-14-16-36-17-15-33)32-25(35)26(28)8-12-34(13-9-26)24-21-7-10-29-23(21)30-18-31-24/h3-7,10,18,22H,1-2,8-9,11-17,28H2,(H,32,35)(H,29,30,31)
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50385429
PNG
(CHEMBL2036734)
Show SMILES O=C(Nc1ccc(nc1)N1CCOCC1)c1nnc(Nc2cccc(c2)-c2ccccc2)o1
Show InChI InChI=1S/C24H22N6O3/c31-22(26-20-9-10-21(25-16-20)30-11-13-32-14-12-30)23-28-29-24(33-23)27-19-8-4-7-18(15-19)17-5-2-1-3-6-17/h1-10,15-16H,11-14H2,(H,26,31)(H,27,29)
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n/an/a 5.70n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50427351
PNG
(CHEMBL2325739 | US9492453, 7)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCCO)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H27ClN6O2/c23-16-5-3-15(4-6-16)18(2-1-13-30)28-21(31)22(24)8-11-29(12-9-22)20-17-7-10-25-19(17)26-14-27-20/h3-7,10,14,18,30H,1-2,8-9,11-13,24H2,(H,28,31)(H,25,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50427355
PNG
(CHEMBL2325734 | US9492453, 65)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCS(N)(=O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H26ClN7O3S/c22-15-3-1-14(2-4-15)17(6-12-33(24,31)32)28-20(30)21(23)7-10-29(11-8-21)19-16-5-9-25-18(16)26-13-27-19/h1-5,9,13,17H,6-8,10-12,23H2,(H,28,30)(H2,24,31,32)(H,25,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50427360
PNG
(CHEMBL2325729 | US9492453, 52)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H34ClN7O/c27-20-6-4-19(5-7-20)22(9-15-33-13-2-1-3-14-33)32-25(35)26(28)10-16-34(17-11-26)24-21-8-12-29-23(21)30-18-31-24/h4-8,12,18,22H,1-3,9-11,13-17,28H2,(H,32,35)(H,29,30,31)/t22-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt3 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50385424
PNG
(CHEMBL2036596)
Show SMILES O=C(Nc1ccc(nc1)N1CCOCC1)c1nnc(Nc2cccc(Oc3ccccc3)c2)o1
Show InChI InChI=1S/C24H22N6O4/c31-22(26-18-9-10-21(25-16-18)30-11-13-32-14-12-30)23-28-29-24(34-23)27-17-5-4-8-20(15-17)33-19-6-2-1-3-7-19/h1-10,15-16H,11-14H2,(H,26,31)(H,27,29)
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n/an/a 6.60n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50385412
PNG
(CHEMBL2036583)
Show SMILES Fc1ccccc1Nc1nnc(o1)C(=O)Nc1ccc(Oc2ccccc2)nc1
Show InChI InChI=1S/C20H14FN5O3/c21-15-8-4-5-9-16(15)24-20-26-25-19(29-20)18(27)23-13-10-11-17(22-12-13)28-14-6-2-1-3-7-14/h1-12H,(H,23,27)(H,24,26)
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n/an/a 6.70n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50427353
PNG
(CHEMBL2325736 | US9492453, 69)
Show SMILES CS(=O)(=O)NCCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H28ClN7O3S/c1-34(32,33)28-11-7-18(15-2-4-16(23)5-3-15)29-21(31)22(24)8-12-30(13-9-22)20-17-6-10-25-19(17)26-14-27-20/h2-6,10,14,18,28H,7-9,11-13,24H2,1H3,(H,29,31)(H,25,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50427336
PNG
(CHEMBL2325992 | US9492453, 11)
Show SMILES CN(C)CCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H30ClN7O/c1-30(2)12-8-19(16-3-5-17(24)6-4-16)29-22(32)23(25)9-13-31(14-10-23)21-18-7-11-26-20(18)27-15-28-21/h3-7,11,15,19H,8-10,12-14,25H2,1-2H3,(H,29,32)(H,26,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt3 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50427346
PNG
(CHEMBL2325982 | US9492453, 3)
Show SMILES CCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H25ClN6O/c1-2-17(14-3-5-15(22)6-4-14)27-20(29)21(23)8-11-28(12-9-21)19-16-7-10-24-18(16)25-13-26-19/h3-7,10,13,17H,2,8-9,11-12,23H2,1H3,(H,27,29)(H,24,25,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50427352
PNG
(CHEMBL2325737 | US9492453, 8)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CO)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClN6O2/c21-14-3-1-13(2-4-14)16(11-28)26-19(29)20(22)6-9-27(10-7-20)18-15-5-8-23-17(15)24-12-25-18/h1-5,8,12,16,28H,6-7,9-11,22H2,(H,26,29)(H,23,24,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50427347
PNG
(CHEMBL2325743 | US9492453, 2)
Show SMILES C[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClN6O/c1-13(14-2-4-15(21)5-3-14)26-19(28)20(22)7-10-27(11-8-20)18-16-6-9-23-17(16)24-12-25-18/h2-6,9,12-13H,7-8,10-11,22H2,1H3,(H,26,28)(H,23,24,25)/t13-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM256836
PNG
(BDBM50427349 | US9492453, 15)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@H](CCO)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H25ClN6O2/c22-15-3-1-14(2-4-15)17(6-12-29)27-20(30)21(23)7-10-28(11-8-21)19-16-5-9-24-18(16)25-13-26-19/h1-5,9,13,17,29H,6-8,10-12,23H2,(H,27,30)(H,24,25,26)/t17-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt3 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM256836
PNG
(BDBM50427349 | US9492453, 15)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@H](CCO)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H25ClN6O2/c22-15-3-1-14(2-4-15)17(6-12-29)27-20(30)21(23)7-10-28(11-8-21)19-16-5-9-24-18(16)25-13-26-19/h1-5,9,13,17,29H,6-8,10-12,23H2,(H,27,30)(H,24,25,26)/t17-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt2 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (human))
BDBM50194415
PNG
(2,3-dichloro-N-((1R,2R)-1-hydroxy-2,3-dihydro-1H-i...)
Show SMILES O[C@H]1[C@@H](Cc2ccccc12)NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1
Show InChI InChI=1S/C16H12Cl2N2O2S/c17-12-13-11(23-15(12)18)6-10(19-13)16(22)20-9-5-7-3-1-2-4-8(7)14(9)21/h1-4,6,9,14,19,21H,5H2,(H,20,22)/t9-,14-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay


Bioorg Med Chem Lett 16: 5567-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50427341
PNG
(CHEMBL2325987 | US9492453, 44)
Show SMILES CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H23FN6O/c1-13(14-2-4-15(21)5-3-14)26-19(28)20(22)7-10-27(11-8-20)18-16-6-9-23-17(16)24-12-25-18/h2-6,9,12-13H,7-8,10-11,22H2,1H3,(H,26,28)(H,23,24,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50427332
PNG
(CHEMBL2325996 | US9492453, 49)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCCN1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H36ClN7O/c28-21-8-6-20(7-9-21)23(5-4-16-34-14-2-1-3-15-34)33-26(36)27(29)11-17-35(18-12-27)25-22-10-13-30-24(22)31-19-32-25/h6-10,13,19,23H,1-5,11-12,14-18,29H2,(H,33,36)(H,30,31,32)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt3 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50427350
PNG
(CHEMBL2325740 | US9492453, 64)
Show SMILES COCCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H27ClN6O2/c1-31-13-7-18(15-2-4-16(23)5-3-15)28-21(30)22(24)8-11-29(12-9-22)20-17-6-10-25-19(17)26-14-27-20/h2-6,10,14,18H,7-9,11-13,24H2,1H3,(H,28,30)(H,25,26,27)
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50427356
PNG
(CHEMBL2325733 | US9492453, 57)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CS(N)(=O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H24ClN7O3S/c21-14-3-1-13(2-4-14)16(11-32(23,30)31)27-19(29)20(22)6-9-28(10-7-20)18-15-5-8-24-17(15)25-12-26-18/h1-5,8,12,16H,6-7,9-11,22H2,(H,27,29)(H2,23,30,31)(H,24,25,26)
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n/an/a 12n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50307942
PNG
(4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyr...)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN6O/c20-14-3-1-13(2-4-14)11-23-18(27)19(21)6-9-26(10-7-19)17-15-5-8-22-16(15)24-12-25-17/h1-5,8,12H,6-7,9-11,21H2,(H,23,27)(H,22,24,25)
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50427360
PNG
(CHEMBL2325729 | US9492453, 52)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H34ClN7O/c27-20-6-4-19(5-7-20)22(9-15-33-13-2-1-3-14-33)32-25(35)26(28)10-16-34(17-11-26)24-21-8-12-29-23(21)30-18-31-24/h4-8,12,18,22H,1-3,9-11,13-17,28H2,(H,32,35)(H,29,30,31)/t22-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt2 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50385425
PNG
(CHEMBL2036597)
Show SMILES O=C(Nc1ccc(nc1)N1CCOCC1)c1nnc(Nc2cccc(OCc3ccccc3)c2)o1
Show InChI InChI=1S/C25H24N6O4/c32-23(27-20-9-10-22(26-16-20)31-11-13-33-14-12-31)24-29-30-25(35-24)28-19-7-4-8-21(15-19)34-17-18-5-2-1-3-6-18/h1-10,15-16H,11-14,17H2,(H,27,32)(H,28,30)
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50427336
PNG
(CHEMBL2325992 | US9492453, 11)
Show SMILES CN(C)CCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H30ClN7O/c1-30(2)12-8-19(16-3-5-17(24)6-4-16)29-22(32)23(25)9-13-31(14-10-23)21-18-7-11-26-20(18)27-15-28-21/h3-7,11,15,19H,8-10,12-14,25H2,1-2H3,(H,29,32)(H,26,27,28)
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n/an/a 14n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt2 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM256836
PNG
(BDBM50427349 | US9492453, 15)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@H](CCO)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H25ClN6O2/c22-15-3-1-14(2-4-15)17(6-12-29)27-20(30)21(23)7-10-28(11-8-21)19-16-5-9-24-18(16)25-13-26-19/h1-5,9,13,17,29H,6-8,10-12,23H2,(H,27,30)(H,24,25,26)/t17-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt3 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50427346
PNG
(CHEMBL2325982 | US9492453, 3)
Show SMILES CCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H25ClN6O/c1-2-17(14-3-5-15(22)6-4-14)27-20(29)21(23)8-11-28(12-9-21)19-16-7-10-24-18(16)25-13-26-19/h3-7,10,13,17H,2,8-9,11-12,23H2,1H3,(H,27,29)(H,24,25,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt3 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50427333
PNG
(CHEMBL2325995 | US9492453, 48)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCCN1CCOCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H34ClN7O2/c27-20-5-3-19(4-6-20)22(2-1-11-33-14-16-36-17-15-33)32-25(35)26(28)8-12-34(13-9-26)24-21-7-10-29-23(21)30-18-31-24/h3-7,10,18,22H,1-2,8-9,11-17,28H2,(H,32,35)(H,29,30,31)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt3 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50427335
PNG
(CHEMBL2325993 | US9492453, 25)
Show SMILES CN(C)CCCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H32ClN7O/c1-31(2)13-3-4-20(17-5-7-18(25)8-6-17)30-23(33)24(26)10-14-32(15-11-24)22-19-9-12-27-21(19)28-16-29-22/h5-9,12,16,20H,3-4,10-11,13-15,26H2,1-2H3,(H,30,33)(H,27,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt2 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50427354
PNG
(CHEMBL2325735 | US9492453, 56)
Show SMILES CS(=O)(=O)NCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H26ClN7O3S/c1-33(31,32)27-12-17(14-2-4-15(22)5-3-14)28-20(30)21(23)7-10-29(11-8-21)19-16-6-9-24-18(16)25-13-26-19/h2-6,9,13,17,27H,7-8,10-12,23H2,1H3,(H,28,30)(H,24,25,26)
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n/an/a 16n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50427347
PNG
(CHEMBL2325743 | US9492453, 2)
Show SMILES C[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClN6O/c1-13(14-2-4-15(21)5-3-14)26-19(28)20(22)7-10-27(11-8-20)18-16-6-9-23-17(16)24-12-25-18/h2-6,9,12-13H,7-8,10-11,22H2,1H3,(H,26,28)(H,23,24,25)/t13-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt3 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50385415
PNG
(CHEMBL2036586)
Show SMILES CCCCSc1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cc1
Show InChI InChI=1S/C19H19FN4O2S/c1-2-3-12-27-14-10-8-13(9-11-14)21-17(25)18-23-24-19(26-18)22-16-7-5-4-6-15(16)20/h4-11H,2-3,12H2,1H3,(H,21,25)(H,22,24)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...


Bioorg Med Chem Lett 22: 3873-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (human))
BDBM50194414
PNG
((S)-2-chloro-N-(1-(dimethylamino)-1-oxo-3-phenylpr...)
Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)sc2[nH]1
Show InChI InChI=1S/C18H18ClN3O2S/c1-22(2)18(24)14(8-11-6-4-3-5-7-11)20-16(23)13-9-12-10-15(19)25-17(12)21-13/h3-7,9-10,14,21H,8H2,1-2H3,(H,20,23)/t14-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay


Bioorg Med Chem Lett 16: 5567-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50427331
PNG
(CHEMBL2325728 | US9492453, 55)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H32ClN7O/c26-19-5-3-18(4-6-19)21(8-14-32-12-1-2-13-32)31-24(34)25(27)9-15-33(16-10-25)23-20-7-11-28-22(20)29-17-30-23/h3-7,11,17,21H,1-2,8-10,12-16,27H2,(H,31,34)(H,28,29,30)/t21-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt3 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
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