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Compile Data Set for Download or QSAR

Found 555 hits with Last Name = 'schofield' and Initial = 'p'   
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
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50366574
PNG
(CHEMBL609646)
Show SMILES OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2c3N[C@H](Cn3c(=N)nc12)c1ccccc1
Show InChI InChI=1S/C18H20N6O4/c19-18-22-16-12(15-21-10(6-23(15)18)9-4-2-1-3-5-9)20-8-24(16)17-14(27)13(26)11(7-25)28-17/h1-5,8,10-11,13-14,17,19,21,25-27H,6-7H2/t10-,11+,13+,14+,17?/m1/s1
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610n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat brain using [3H]R-PIA


Bioorg Med Chem Lett 8: 691-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00102-4
BindingDB Entry DOI: 10.7270/Q21Z44Z9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50366575
PNG
(CHEMBL609645)
Show SMILES OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2c3N[C@@H](Cn3c(=N)nc12)c1ccccc1
Show InChI InChI=1S/C18H20N6O4/c19-18-22-16-12(15-21-10(6-23(15)18)9-4-2-1-3-5-9)20-8-24(16)17-14(27)13(26)11(7-25)28-17/h1-5,8,10-11,13-14,17,19,21,25-27H,6-7H2/t10-,11-,13-,14-,17?/m0/s1
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1.02E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat brain using [3H]R-PIA


Bioorg Med Chem Lett 8: 691-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00102-4
BindingDB Entry DOI: 10.7270/Q21Z44Z9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50366573
PNG
(CHEMBL607912)
Show SMILES OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2C3=N[C@@H](CN3C=Nc12)c1ccccc1
Show InChI InChI=1S/C18H19N5O4/c24-7-12-14(25)15(26)18(27-12)23-9-19-13-16(23)20-8-22-6-11(21-17(13)22)10-4-2-1-3-5-10/h1-5,8-9,11-12,14-15,18,24-26H,6-7H2/t11-,12-,14-,15-,18?/m0/s1
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3.82E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat brain using [3H]R-PIA


Bioorg Med Chem Lett 8: 691-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00102-4
BindingDB Entry DOI: 10.7270/Q21Z44Z9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50366572
PNG
(CHEMBL607911)
Show SMILES OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2C3=N[C@H](CN3C=Nc12)c1ccccc1
Show InChI InChI=1S/C18H19N5O4/c24-7-12-14(25)15(26)18(27-12)23-9-19-13-16(23)20-8-22-6-11(21-17(13)22)10-4-2-1-3-5-10/h1-5,8-9,11-12,14-15,18,24-26H,6-7H2/t11-,12+,14+,15+,18?/m1/s1
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4.54E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat brain using [3H]R-PIA


Bioorg Med Chem Lett 8: 691-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00102-4
BindingDB Entry DOI: 10.7270/Q21Z44Z9
More data for this
Ligand-Target Pair
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
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50420842
PNG
(CHEMBL2086684)
Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccncc2C#N)cn1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C21H26N6O3/c1-15-13-26(20(28)30-21(2,3)4)7-8-27(15)19-24-11-18(12-25-19)29-14-16-5-6-23-10-17(16)9-22/h5-6,10-12,15H,7-8,13-14H2,1-4H3/t15-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-(2-fluoro-4-methylsulfonyl-phenyl)-6-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-5-nitro-pyrimidin-4-amine from human G...


Bioorg Med Chem Lett 23: 3175-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.006
BindingDB Entry DOI: 10.7270/Q25Q4XGC
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50433856
PNG
(CHEMBL2382410)
Show SMILES CC(C)(C)OC(=O)N1C2CCC1CN(C2)c1ncc(OCc2ccncc2C#N)cn1
Show InChI InChI=1S/C22H26N6O3/c1-22(2,3)31-21(29)28-17-4-5-18(28)13-27(12-17)20-25-10-19(11-26-20)30-14-15-6-7-24-9-16(15)8-23/h6-7,9-11,17-18H,4-5,12-14H2,1-3H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-(2-fluoro-4-methylsulfonyl-phenyl)-6-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-5-nitro-pyrimidin-4-amine from human G...


Bioorg Med Chem Lett 23: 3175-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.006
BindingDB Entry DOI: 10.7270/Q25Q4XGC
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50116590
PNG
(CHEMBL325486 | N-(9-Methanesulfonyl-9H-carbazol-3-...)
Show SMILES CS(=O)(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc12
Show InChI InChI=1S/C21H19N3O3S/c1-28(26,27)24-19-5-3-2-4-17(19)18-14-16(7-8-20(18)24)23-21(25)9-6-15-10-12-22-13-11-15/h2-5,7-8,10-14H,6,9H2,1H3,(H,23,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)


J Med Chem 45: 3509-23 (2002)


Article DOI: 10.1021/jm011125x
BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50116610
PNG
(CHEMBL119743 | N-(9-Isopropyl-9H-carbazol-3-yl)-3-...)
Show SMILES CC(C)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc12
Show InChI InChI=1S/C23H23N3O/c1-16(2)26-21-6-4-3-5-19(21)20-15-18(8-9-22(20)26)25-23(27)10-7-17-11-13-24-14-12-17/h3-6,8-9,11-16H,7,10H2,1-2H3,(H,25,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)


J Med Chem 45: 3509-23 (2002)


Article DOI: 10.1021/jm011125x
BindingDB Entry DOI: 10.7270/Q27S7N3K
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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n/an/a 1.10n/an/an/an/an/an/a



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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50394015
PNG
(CHEMBL2158468)
Show SMILES CCCSc1nc(ccc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)N(C)C
Show InChI InChI=1S/C21H31N3O2S/c1-4-7-27-20-16(5-6-17(22-20)24(2)3)19(25)23-18-14-8-13-9-15(18)12-21(26,10-13)11-14/h5-6,13-15,18,26H,4,7-12H2,1-3H3,(H,23,25)/t13?,14?,15?,18-,21-
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 by HTRF assay


Bioorg Med Chem Lett 22: 6756-61 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50116600
PNG
(CHEMBL325475 | N-(9-Ethyl-9H-carbazol-3-yl)-3-pyri...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc12
Show InChI InChI=1S/C22H21N3O/c1-2-25-20-6-4-3-5-18(20)19-15-17(8-9-21(19)25)24-22(26)10-7-16-11-13-23-14-12-16/h3-6,8-9,11-15H,2,7,10H2,1H3,(H,24,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)


J Med Chem 45: 3509-23 (2002)


Article DOI: 10.1021/jm011125x
BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM24393
PNG
(2,3-dichloro-N-{1-[(2R)-2,3-dihydroxypropyl]-2-oxo...)
Show SMILES OC[C@H](O)CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1
Show InChI InChI=1S/C19H17Cl2N3O4S/c20-15-16-14(29-17(15)21)6-11(22-16)18(27)23-12-5-9-3-1-2-4-13(9)24(19(12)28)7-10(26)8-25/h1-4,6,10,12,22,25-26H,5,7-8H2,(H,23,27)/t10-,12?/m1/s1
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AstraZeneca



Assay Description
The inhibitory activity of the test compounds against human recombinant glycogen phosphorylase a (GPa) was monitored using 96-well microplate format....


Bioorg Med Chem Lett 17: 394-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.037
BindingDB Entry DOI: 10.7270/Q2TM78DM
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50116619
PNG
(CHEMBL117563 | Morpholine-4-carboxylic acid (9-iso...)
Show SMILES CC(C)n1c2ccc(NC(=O)N3CCOCC3)cc2c2cccc(C)c12
Show InChI InChI=1S/C21H25N3O2/c1-14(2)24-19-8-7-16(22-21(25)23-9-11-26-12-10-23)13-18(19)17-6-4-5-15(3)20(17)24/h4-8,13-14H,9-12H2,1-3H3,(H,22,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)


J Med Chem 45: 3509-23 (2002)


Article DOI: 10.1021/jm011125x
BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50116602
PNG
(CHEMBL419951 | Morpholine-4-carboxylic acid (9-iso...)
Show SMILES CC(C)n1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc12
Show InChI InChI=1S/C20H23N3O2/c1-14(2)23-18-6-4-3-5-16(18)17-13-15(7-8-19(17)23)21-20(24)22-9-11-25-12-10-22/h3-8,13-14H,9-12H2,1-2H3,(H,21,24)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)


J Med Chem 45: 3509-23 (2002)


Article DOI: 10.1021/jm011125x
BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50392216
PNG
(CHEMBL2153191 | US8673938, 7)
Show SMILES CCCSc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1
Show InChI InChI=1S/C22H33N3O3S/c1-2-13-29-22-18(21(28)23-17-8-4-3-5-9-17)10-11-19(24-22)25-12-6-7-16(15-25)14-20(26)27/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,28)(H,26,27)/t16-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of 11betaHSD1 in human isolated adipocytes using [3H]cortisone as substrate after 6 hrs by flow scintillation analysis


J Med Chem 55: 5951-64 (2012)


Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50116605
PNG
(CHEMBL432628 | Morpholine-4-carboxylic acid (6-flu...)
Show SMILES CC(C)n1c2ccc(F)cc2c2cc(NC(=O)N3CCOCC3)ccc12
Show InChI InChI=1S/C20H22FN3O2/c1-13(2)24-18-5-3-14(21)11-16(18)17-12-15(4-6-19(17)24)22-20(25)23-7-9-26-10-8-23/h3-6,11-13H,7-10H2,1-2H3,(H,22,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)


J Med Chem 45: 3509-23 (2002)


Article DOI: 10.1021/jm011125x
BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50116592
PNG
(CHEMBL325226 | Morpholine-4-carboxylic acid (9-iso...)
Show SMILES CC(C)n1c2ccccc2c2c(C)c(NC(=O)N3CCOCC3)ccc12
Show InChI InChI=1S/C21H25N3O2/c1-14(2)24-18-7-5-4-6-16(18)20-15(3)17(8-9-19(20)24)22-21(25)23-10-12-26-13-11-23/h4-9,14H,10-13H2,1-3H3,(H,22,25)
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)


J Med Chem 45: 3509-23 (2002)


Article DOI: 10.1021/jm011125x
BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50116617
PNG
(CHEMBL116210 | N-(9-Acetyl-9H-carbazol-3-yl)-3-pyr...)
Show SMILES CC(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc12
Show InChI InChI=1S/C22H19N3O2/c1-15(26)25-20-5-3-2-4-18(20)19-14-17(7-8-21(19)25)24-22(27)9-6-16-10-12-23-13-11-16/h2-5,7-8,10-14H,6,9H2,1H3,(H,24,27)
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)


J Med Chem 45: 3509-23 (2002)


Article DOI: 10.1021/jm011125x
BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50420836
PNG
(CHEMBL2086690)
Show SMILES CC(C)c1nc(no1)N1CCN([C@H](C)C1)c1ncc(OCc2ccncc2C#N)cn1
Show InChI InChI=1S/C21H24N8O2/c1-14(2)19-26-21(27-31-19)28-6-7-29(15(3)12-28)20-24-10-18(11-25-20)30-13-16-4-5-23-9-17(16)8-22/h4-5,9-11,14-15H,6-7,12-13H2,1-3H3/t15-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-(2-fluoro-4-methylsulfonyl-phenyl)-6-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-5-nitro-pyrimidin-4-amine from human G...


Bioorg Med Chem Lett 23: 3175-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.006
BindingDB Entry DOI: 10.7270/Q25Q4XGC
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50394013
PNG
(CHEMBL2158466)
Show SMILES CCCSc1nc(NC)ccc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C20H29N3O2S/c1-3-6-26-19-15(4-5-16(21-2)22-19)18(24)23-17-13-7-12-8-14(17)11-20(25,9-12)10-13/h4-5,12-14,17,25H,3,6-11H2,1-2H3,(H,21,22)(H,23,24)/t12?,13?,14?,17-,20-
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 by HTRF assay


Bioorg Med Chem Lett 22: 6756-61 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50433861
PNG
(CHEMBL2382409)
Show SMILES CC(C)(C)OC(=O)N1C2CCC1CN(C2)c1ncc(OCc2ccc(cc2)S(C)(=O)=O)cn1
Show InChI InChI=1S/C23H30N4O5S/c1-23(2,3)32-22(28)27-17-7-8-18(27)14-26(13-17)21-24-11-19(12-25-21)31-15-16-5-9-20(10-6-16)33(4,29)30/h5-6,9-12,17-18H,7-8,13-15H2,1-4H3
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-(2-fluoro-4-methylsulfonyl-phenyl)-6-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-5-nitro-pyrimidin-4-amine from human G...


Bioorg Med Chem Lett 23: 3175-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.006
BindingDB Entry DOI: 10.7270/Q25Q4XGC
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50433857
PNG
(CHEMBL2382417)
Show SMILES CC(C)c1nc(no1)N1C2CCC1CN(C2)c1ncc(OCc2ccncc2C#N)cn1
Show InChI InChI=1S/C22H24N8O2/c1-14(2)20-27-22(28-32-20)30-17-3-4-18(30)12-29(11-17)21-25-9-19(10-26-21)31-13-15-5-6-24-8-16(15)7-23/h5-6,8-10,14,17-18H,3-4,11-13H2,1-2H3
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-(2-fluoro-4-methylsulfonyl-phenyl)-6-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-5-nitro-pyrimidin-4-amine from human G...


Bioorg Med Chem Lett 23: 3175-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.006
BindingDB Entry DOI: 10.7270/Q25Q4XGC
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50394016
PNG
(CHEMBL2158469)
Show SMILES CCCSc1nc(ncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)N(C)C
Show InChI InChI=1S/C20H30N4O2S/c1-4-5-27-18-15(11-21-19(23-18)24(2)3)17(25)22-16-13-6-12-7-14(16)10-20(26,8-12)9-13/h11-14,16,26H,4-10H2,1-3H3,(H,22,25)/t12?,13?,14?,16-,20-
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 by HTRF assay


Bioorg Med Chem Lett 22: 6756-61 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50394014
PNG
(CHEMBL2158467)
Show SMILES CCCSc1nc(NC)ncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C19H28N4O2S/c1-3-4-26-17-14(10-21-18(20-2)23-17)16(24)22-15-12-5-11-6-13(15)9-19(25,7-11)8-12/h10-13,15,25H,3-9H2,1-2H3,(H,22,24)(H,20,21,23)/t11?,12?,13?,15-,19-
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 by HTRF assay


Bioorg Med Chem Lett 22: 6756-61 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50394017
PNG
(CHEMBL2158470)
Show SMILES CCCSc1nc(ccc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)N1CCOCC1
Show InChI InChI=1S/C23H33N3O3S/c1-2-9-30-22-18(3-4-19(24-22)26-5-7-29-8-6-26)21(27)25-20-16-10-15-11-17(20)14-23(28,12-15)13-16/h3-4,15-17,20,28H,2,5-14H2,1H3,(H,25,27)/t15?,16?,17?,20-,23-
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 by HTRF assay


Bioorg Med Chem Lett 22: 6756-61 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G
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
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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n/an/a 5n/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
Glucose-dependent insulinotropic receptor


(Mus musculus)
BDBM50433861
PNG
(CHEMBL2382409)
Show SMILES CC(C)(C)OC(=O)N1C2CCC1CN(C2)c1ncc(OCc2ccc(cc2)S(C)(=O)=O)cn1
Show InChI InChI=1S/C23H30N4O5S/c1-23(2,3)32-22(28)27-17-7-8-18(27)14-26(13-17)21-24-11-19(12-25-21)31-15-16-5-9-20(10-6-16)33(4,29)30/h5-6,9-12,17-18H,7-8,13-15H2,1-4H3
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-(2-fluoro-4-methylsulfonyl-phenyl)-6-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-5-nitro-pyrimidin-4-amine from mouse G...


Bioorg Med Chem Lett 23: 3175-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.006
BindingDB Entry DOI: 10.7270/Q25Q4XGC
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
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50394000
PNG
(CHEMBL2158481)
Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1ccc(nc1C1CC1)N1CCOCC1)C(C3)C2
Show InChI InChI=1S/C23H31N3O3/c27-22(25-20-16-9-14-10-17(20)13-23(28,11-14)12-16)18-3-4-19(24-21(18)15-1-2-15)26-5-7-29-8-6-26/h3-4,14-17,20,28H,1-2,5-13H2,(H,25,27)/t14?,16?,17?,20-,23-
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of mouse 11betaHSD1 by HTRF assay


Bioorg Med Chem Lett 22: 6756-61 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50433854
PNG
(CHEMBL2382412)
Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccncc2C#N)cn1)C(=O)OC1CC(F)(F)C1(F)F
Show InChI InChI=1S/C21H20F4N6O3/c1-13-11-30(19(32)34-17-6-20(22,23)21(17,24)25)4-5-31(13)18-28-9-16(10-29-18)33-12-14-2-3-27-8-15(14)7-26/h2-3,8-10,13,17H,4-6,11-12H2,1H3/t13-,17?/m1/s1
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-(2-fluoro-4-methylsulfonyl-phenyl)-6-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-5-nitro-pyrimidin-4-amine from human G...


Bioorg Med Chem Lett 23: 3175-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.006
BindingDB Entry DOI: 10.7270/Q25Q4XGC
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50116592
PNG
(CHEMBL325226 | Morpholine-4-carboxylic acid (9-iso...)
Show SMILES CC(C)n1c2ccccc2c2c(C)c(NC(=O)N3CCOCC3)ccc12
Show InChI InChI=1S/C21H25N3O2/c1-14(2)24-18-7-5-4-6-16(18)20-15(3)17(8-9-19(20)24)22-21(25)23-10-12-26-13-11-23/h4-9,14H,10-13H2,1-3H3,(H,22,25)
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Compound was evaluated for functional antagonism of Neuropeptide Y receptor Y5 activity in cellular Ca flux


J Med Chem 45: 3509-23 (2002)


Article DOI: 10.1021/jm011125x
BindingDB Entry DOI: 10.7270/Q27S7N3K
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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50392216
PNG
(CHEMBL2153191 | US8673938, 7)
Show SMILES CCCSc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1
Show InChI InChI=1S/C22H33N3O3S/c1-2-13-29-22-18(21(28)23-17-8-4-3-5-9-17)10-11-19(24-22)25-12-6-7-16(15-25)14-20(26)27/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,28)(H,26,27)/t16-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged full length human 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins ...


J Med Chem 55: 5951-64 (2012)


Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM24385
PNG
(2,3-dichloro-N-[1-(2-hydroxyethyl)-2-oxo-1,2,3,4-t...)
Show SMILES OCCN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1
Show InChI InChI=1S/C18H15Cl2N3O3S/c19-14-15-13(27-16(14)20)8-10(21-15)17(25)22-11-7-9-3-1-2-4-12(9)23(5-6-24)18(11)26/h1-4,8,11,21,24H,5-7H2,(H,22,25)
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n/an/a 7n/an/an/an/a7.222



AstraZeneca



Assay Description
The inhibitory activity of the test compounds against human recombinant glycogen phosphorylase a (GPa) was monitored using 96-well microplate format....


Bioorg Med Chem Lett 17: 394-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.037
BindingDB Entry DOI: 10.7270/Q2TM78DM
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50116597
PNG
(CHEMBL119247 | Morpholine-4-carboxylic acid (9-eth...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc12
Show InChI InChI=1S/C19H21N3O2/c1-2-22-17-6-4-3-5-15(17)16-13-14(7-8-18(16)22)20-19(23)21-9-11-24-12-10-21/h3-8,13H,2,9-12H2,1H3,(H,20,23)
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n/an/a 7n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)


J Med Chem 45: 3509-23 (2002)


Article DOI: 10.1021/jm011125x
BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
NPY5R


(Rat 6B)
BDBM50116600
PNG
(CHEMBL325475 | N-(9-Ethyl-9H-carbazol-3-yl)-3-pyri...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc12
Show InChI InChI=1S/C22H21N3O/c1-2-25-20-6-4-3-5-18(20)19-15-17(8-9-21(19)25)24-22(26)10-7-16-11-13-23-14-12-16/h3-6,8-9,11-15H,2,7,10H2,1H3,(H,24,26)
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n/an/a 7n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity against rat Neuropeptide Y receptor Y5


J Med Chem 45: 3509-23 (2002)


Article DOI: 10.1021/jm011125x
BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50392222
PNG
(CHEMBL2153178)
Show SMILES CCCSc1ncccc1C(=O)N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2
Show InChI InChI=1S/C19H26N2O2S/c1-2-6-24-18-15(4-3-5-20-18)17(22)21-16-13-7-12-8-14(16)11-19(23,9-12)10-13/h3-5,12-14,16,23H,2,6-11H2,1H3,(H,21,22)/t12?,13-,14+,16-,19-
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n/an/a 7n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged full length human 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins ...


J Med Chem 55: 5951-64 (2012)


Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50394011
PNG
(CHEMBL2158464)
Show SMILES CCCSc1nc(C)ccc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C20H28N2O2S/c1-3-6-25-19-16(5-4-12(2)21-19)18(23)22-17-14-7-13-8-15(17)11-20(24,9-13)10-14/h4-5,13-15,17,24H,3,6-11H2,1-2H3,(H,22,23)/t13?,14?,15?,17-,20-
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n/an/a 7n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 by HTRF assay


Bioorg Med Chem Lett 22: 6756-61 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50433859
PNG
(CHEMBL2382415)
Show SMILES FC(F)(F)COC(=O)N1C2CCC1CN(C2)c1ncc(OCc2ccncc2C#N)cn1
Show InChI InChI=1S/C20H19F3N6O3/c21-20(22,23)12-32-19(30)29-15-1-2-16(29)10-28(9-15)18-26-7-17(8-27-18)31-11-13-3-4-25-6-14(13)5-24/h3-4,6-8,15-16H,1-2,9-12H2
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n/an/a 8n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-(2-fluoro-4-methylsulfonyl-phenyl)-6-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-5-nitro-pyrimidin-4-amine from human G...


Bioorg Med Chem Lett 23: 3175-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.006
BindingDB Entry DOI: 10.7270/Q25Q4XGC
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50116608
PNG
(CHEMBL117922 | N-(9-Dimethylsulfamoyl-9H-carbazol-...)
Show SMILES CN(C)S(=O)(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc12
Show InChI InChI=1S/C22H22N4O3S/c1-25(2)30(28,29)26-20-6-4-3-5-18(20)19-15-17(8-9-21(19)26)24-22(27)10-7-16-11-13-23-14-12-16/h3-6,8-9,11-15H,7,10H2,1-2H3,(H,24,27)
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n/an/a 8n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)


J Med Chem 45: 3509-23 (2002)


Article DOI: 10.1021/jm011125x
BindingDB Entry DOI: 10.7270/Q27S7N3K
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
Glucose-dependent insulinotropic receptor


(Mus musculus)
BDBM50433856
PNG
(CHEMBL2382410)
Show SMILES CC(C)(C)OC(=O)N1C2CCC1CN(C2)c1ncc(OCc2ccncc2C#N)cn1
Show InChI InChI=1S/C22H26N6O3/c1-22(2,3)31-21(29)28-17-4-5-18(28)13-27(12-17)20-25-10-19(11-26-20)30-14-15-6-7-24-9-16(15)8-23/h6-7,9-11,17-18H,4-5,12-14H2,1-3H3
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n/an/a 9n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-(2-fluoro-4-methylsulfonyl-phenyl)-6-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-5-nitro-pyrimidin-4-amine from mouse G...


Bioorg Med Chem Lett 23: 3175-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.006
BindingDB Entry DOI: 10.7270/Q25Q4XGC
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50433853
PNG
(CHEMBL2382413)
Show SMILES FC1(F)CC(OC(=O)N2C3CCC2CN(C3)c2ncc(OCc3ccncc3C#N)cn2)C1(F)F
Show InChI InChI=1S/C22H20F4N6O3/c23-21(24)5-18(22(21,25)26)35-20(33)32-15-1-2-16(32)11-31(10-15)19-29-8-17(9-30-19)34-12-13-3-4-28-7-14(13)6-27/h3-4,7-9,15-16,18H,1-2,5,10-12H2
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n/an/a 9n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-(2-fluoro-4-methylsulfonyl-phenyl)-6-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-5-nitro-pyrimidin-4-amine from human G...


Bioorg Med Chem Lett 23: 3175-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.006
BindingDB Entry DOI: 10.7270/Q25Q4XGC
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50394010
PNG
(CHEMBL2158007)
Show SMILES CCCSc1ncncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C18H25N3O2S/c1-2-3-24-17-14(9-19-10-20-17)16(22)21-15-12-4-11-5-13(15)8-18(23,6-11)7-12/h9-13,15,23H,2-8H2,1H3,(H,21,22)/t11?,12?,13?,15-,18-
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n/an/a 9n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 by HTRF assay


Bioorg Med Chem Lett 22: 6756-61 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50394012
PNG
(CHEMBL2158465)
Show SMILES CCCSc1nc(C)ncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C19H27N3O2S/c1-3-4-25-18-15(10-20-11(2)21-18)17(23)22-16-13-5-12-6-14(16)9-19(24,7-12)8-13/h10,12-14,16,24H,3-9H2,1-2H3,(H,22,23)/t12?,13?,14?,16-,19-
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 by HTRF assay


Bioorg Med Chem Lett 22: 6756-61 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G
More data for this
Ligand-Target Pair
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