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Compile Data Set for Download or QSAR

Found 647 hits with Last Name = 'groombridge' and Initial = 's'   
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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50448693
PNG
(CHEMBL3127857)
Show SMILES OC12CC3CC(C1)C(NC(=O)c1sc(OC4CC(C4)C#N)nc1[C@H]1CCCO1)C(C3)C2
Show InChI InChI=1S/C23H29N3O4S/c24-11-13-6-16(7-13)30-22-26-19(17-2-1-3-29-17)20(31-22)21(27)25-18-14-4-12-5-15(18)10-23(28,8-12)9-14/h12-18,28H,1-10H2,(H,25,27)/t12?,13?,14?,15?,16?,17-,18?,23?/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis


J Med Chem 57: 970-86 (2014)


Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50448706
PNG
(CHEMBL3127854)
Show SMILES COc1nc([C@H]2CCCO2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C19H26N2O4S/c1-24-18-21-15(13-3-2-4-25-13)16(26-18)17(22)20-14-11-5-10-6-12(14)9-19(23,7-10)8-11/h10-14,23H,2-9H2,1H3,(H,20,22)/t10?,11?,12?,13-,14-,19-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis


J Med Chem 57: 970-86 (2014)


Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50448731
PNG
(CHEMBL3127868)
Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1sc(OCC4CC4)nc1C1CC1)C(C3)C2
Show InChI InChI=1S/C21H28N2O3S/c24-19(22-16-14-5-12-6-15(16)9-21(25,7-12)8-14)18-17(13-3-4-13)23-20(27-18)26-10-11-1-2-11/h11-16,25H,1-10H2,(H,22,24)/t12?,14?,15?,16-,21-
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n/an/a 0.430n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis


J Med Chem 57: 970-86 (2014)


Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50448704
PNG
(CHEMBL3127856)
Show SMILES COC[C@H](C)Oc1nc([C@H]2CCCO2)c(s1)C(=O)NC1C2CC3CC1CC(O)(C3)C2
Show InChI InChI=1S/C22H32N2O5S/c1-12(11-27-2)29-21-24-18(16-4-3-5-28-16)19(30-21)20(25)23-17-14-6-13-7-15(17)10-22(26,8-13)9-14/h12-17,26H,3-11H2,1-2H3,(H,23,25)/t12-,13?,14?,15?,16+,17?,22?/m0/s1
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n/an/a 0.450n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis


J Med Chem 57: 970-86 (2014)


Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50448705
PNG
(CHEMBL3127855)
Show SMILES COCCOc1nc([C@H]2CCCO2)c(s1)C(=O)NC1C2CC3CC1CC(O)(C3)C2
Show InChI InChI=1S/C21H30N2O5S/c1-26-5-6-28-20-23-17(15-3-2-4-27-15)18(29-20)19(24)22-16-13-7-12-8-14(16)11-21(25,9-12)10-13/h12-16,25H,2-11H2,1H3,(H,22,24)/t12?,13?,14?,15-,16?,21?/m1/s1
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n/an/a 0.490n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis


J Med Chem 57: 970-86 (2014)


Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149
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
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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50448734
PNG
(CHEMBL3127865)
Show SMILES COC[C@H](C)Oc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C21H30N2O4S/c1-11(10-26-2)27-20-23-17(13-3-4-13)18(28-20)19(24)22-16-14-5-12-6-15(16)9-21(25,7-12)8-14/h11-16,25H,3-10H2,1-2H3,(H,22,24)/t11-,12?,14?,15?,16-,21-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis


J Med Chem 57: 970-86 (2014)


Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50448733
PNG
(CHEMBL3127866)
Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1sc(O[C@@H]4CCCO4)nc1C1CC1)C(C3)C2
Show InChI InChI=1S/C21H28N2O4S/c24-19(22-16-13-6-11-7-14(16)10-21(25,8-11)9-13)18-17(12-3-4-12)23-20(28-18)27-15-2-1-5-26-15/h11-16,25H,1-10H2,(H,22,24)/t11?,13?,14?,15-,16-,21-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis


J Med Chem 57: 970-86 (2014)


Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50448701
PNG
(CHEMBL3127861)
Show SMILES CC(C)Oc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C20H28N2O3S/c1-10(2)25-19-22-16(12-3-4-12)17(26-19)18(23)21-15-13-5-11-6-14(15)9-20(24,7-11)8-13/h10-15,24H,3-9H2,1-2H3,(H,21,23)/t11?,13?,14?,15-,20-
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n/an/a 1.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis


J Med Chem 57: 970-86 (2014)


Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50400147
PNG
(CHEMBL2179014)
Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(N[C@H]4CCOC4)nc1C1CCCC1)C(C3)C2
Show InChI InChI=1S/C24H34N4O3/c29-22(27-20-16-7-14-8-17(20)11-24(30,9-14)10-16)19-12-25-23(26-18-5-6-31-13-18)28-21(19)15-3-1-2-4-15/h12,14-18,20,30H,1-11,13H2,(H,27,29)(H,25,26,28)/t14?,16?,17?,18-,20-,24-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by HPLC assay


J Med Chem 55: 10652-61 (2012)


Article DOI: 10.1021/jm3013163
BindingDB Entry DOI: 10.7270/Q2BG2Q4S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50448702
PNG
(CHEMBL3127860)
Show SMILES CCOc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C19H26N2O3S/c1-2-24-18-21-15(11-3-4-11)16(25-18)17(22)20-14-12-5-10-6-13(14)9-19(23,7-10)8-12/h10-14,23H,2-9H2,1H3,(H,20,22)/t10?,12?,13?,14-,19-
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n/an/a 1.70n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis


J Med Chem 57: 970-86 (2014)


Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50448697
PNG
(CHEMBL3127858)
Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1sc(OC4CCOCC4)nc1[C@H]1CCCO1)C(C3)C2
Show InChI InChI=1S/C23H32N2O5S/c26-21(24-18-14-8-13-9-15(18)12-23(27,10-13)11-14)20-19(17-2-1-5-29-17)25-22(31-20)30-16-3-6-28-7-4-16/h13-18,27H,1-12H2,(H,24,26)/t13?,14?,15?,17-,18-,23-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis


J Med Chem 57: 970-86 (2014)


Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149
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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50448699
PNG
(CHEMBL3127863)
Show SMILES COCCOc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C20H28N2O4S/c1-25-4-5-26-19-22-16(12-2-3-12)17(27-19)18(23)21-15-13-6-11-7-14(15)10-20(24,8-11)9-13/h11-15,24H,2-10H2,1H3,(H,21,23)/t11?,13?,14?,15-,20-
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n/an/a 2.80n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis


J Med Chem 57: 970-86 (2014)


Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149
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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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))
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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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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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
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM50082118
PNG
(CHEMBL3422678)
Show SMILES Cc1noc(C)c1Cn1nc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc12
Show InChI InChI=1S/C25H24N6O3/c1-15-21(16(2)34-30-15)14-31-24-10-9-19(12-20(24)23(13-26)29-31)33-18-7-5-17(6-8-18)28-25(32)22-4-3-11-27-22/h5-10,12,22,27H,3-4,11,14H2,1-2H3,(H,28,32)/t22-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay


J Med Chem 58: 3611-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00352
BindingDB Entry DOI: 10.7270/Q2571DQB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50448715
PNG
(CHEMBL3127874)
Show SMILES Cc1nc([C@H]2CCCO2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C19H26N2O3S/c1-10-20-16(14-3-2-4-24-14)17(25-10)18(22)21-15-12-5-11-6-13(15)9-19(23,7-11)8-12/h11-15,23H,2-9H2,1H3,(H,21,22)/t11?,12?,13?,14-,15-,19-/m1/s1
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n/an/a 3.60n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis


J Med Chem 57: 970-86 (2014)


Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149
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
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
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM50082117
PNG
(CHEMBL3422677)
Show SMILES CC(C)Cn1nc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc12
Show InChI InChI=1S/C23H25N5O2/c1-15(2)14-28-22-10-9-18(12-19(22)21(13-24)27-28)30-17-7-5-16(6-8-17)26-23(29)20-4-3-11-25-20/h5-10,12,15,20,25H,3-4,11,14H2,1-2H3,(H,26,29)/t20-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay


J Med Chem 58: 3611-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00352
BindingDB Entry DOI: 10.7270/Q2571DQB
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))
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))
BDBM50448703
PNG
(CHEMBL3127859)
Show SMILES COc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C18H24N2O3S/c1-23-17-20-14(10-2-3-10)15(24-17)16(21)19-13-11-4-9-5-12(13)8-18(22,6-9)7-11/h9-13,22H,2-8H2,1H3,(H,19,21)/t9?,11?,12?,13-,18-
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n/an/a 4.40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis


J Med Chem 57: 970-86 (2014)


Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50448692
PNG
(CHEMBL3127884)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1ncc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(n1)[C@H]1CCCO1
Show InChI InChI=1S/C25H36N4O4/c1-14-12-29(13-15(2)33-14)24-26-11-19(22(28-24)20-4-3-5-32-20)23(30)27-21-17-6-16-7-18(21)10-25(31,8-16)9-17/h11,14-18,20-21,31H,3-10,12-13H2,1-2H3,(H,27,30)/t14-,15+,16?,17?,18?,20-,21?,25?/m1/s1
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n/an/a 4.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis


J Med Chem 57: 970-86 (2014)


Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50448732
PNG
(CHEMBL3127867)
Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1sc(OC4CCOCC4)nc1C1CC1)C(C3)C2
Show InChI InChI=1S/C22H30N2O4S/c25-20(23-17-14-7-12-8-15(17)11-22(26,9-12)10-14)19-18(13-1-2-13)24-21(29-19)28-16-3-5-27-6-4-16/h12-17,26H,1-11H2,(H,23,25)/t12?,14?,15?,17-,22-
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n/an/a 4.80n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6-His-tagged full-length mouse 11beta-HSD1 assessed as conversion of cortisone to cortisol after 25 mins by competitive HTRF...


J Med Chem 57: 970-86 (2014)


Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149
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
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50448731
PNG
(CHEMBL3127868)
Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1sc(OCC4CC4)nc1C1CC1)C(C3)C2
Show InChI InChI=1S/C21H28N2O3S/c24-19(22-16-14-5-12-6-15(16)9-21(25,7-12)8-14)18-17(13-3-4-13)23-20(27-18)26-10-11-1-2-11/h11-16,25H,1-10H2,(H,22,24)/t12?,14?,15?,16-,21-
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n/an/a 5.40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6-His-tagged full-length mouse 11beta-HSD1 assessed as conversion of cortisone to cortisol after 25 mins by competitive HTRF...


J Med Chem 57: 970-86 (2014)


Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149
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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50448732
PNG
(CHEMBL3127867)
Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1sc(OC4CCOCC4)nc1C1CC1)C(C3)C2
Show InChI InChI=1S/C22H30N2O4S/c25-20(23-17-14-7-12-8-15(17)11-22(26,9-12)10-14)19-18(13-1-2-13)24-21(29-19)28-16-3-5-27-6-4-16/h12-17,26H,1-11H2,(H,23,25)/t12?,14?,15?,17-,22-
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n/an/a 6.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis


J Med Chem 57: 970-86 (2014)


Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149
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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50448706
PNG
(CHEMBL3127854)
Show SMILES COc1nc([C@H]2CCCO2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C19H26N2O4S/c1-24-18-21-15(13-3-2-4-25-13)16(26-18)17(22)20-14-11-5-10-6-12(14)9-19(23,7-10)8-11/h10-14,23H,2-9H2,1H3,(H,20,22)/t10?,11?,12?,13-,14-,19-/m1/s1
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n/an/a 7.20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6-His-tagged full-length human 11beta-HSD1 assessed as conversion of cortisone to cortisol after 25 mins by competitive HTRF...


J Med Chem 57: 970-86 (2014)


Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50448693
PNG
(CHEMBL3127857)
Show SMILES OC12CC3CC(C1)C(NC(=O)c1sc(OC4CC(C4)C#N)nc1[C@H]1CCCO1)C(C3)C2
Show InChI InChI=1S/C23H29N3O4S/c24-11-13-6-16(7-13)30-22-26-19(17-2-1-3-29-17)20(31-22)21(27)25-18-14-4-12-5-15(18)10-23(28,8-12)9-14/h12-18,28H,1-10H2,(H,25,27)/t12?,13?,14?,15?,16?,17-,18?,23?/m1/s1
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n/an/a 7.20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6-His-tagged full-length human 11beta-HSD1 assessed as conversion of cortisone to cortisol after 25 mins by competitive HTRF...


J Med Chem 57: 970-86 (2014)


Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149
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
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM50082114
PNG
(CHEMBL3422674)
Show SMILES CN1Cc2cc(ccc2C1=O)-n1cc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc12
Show InChI InChI=1S/C29H25N5O3/c1-33-16-18-13-21(6-10-24(18)29(33)36)34-17-19(15-30)25-14-23(9-11-27(25)34)37-22-7-4-20(5-8-22)32-28(35)26-3-2-12-31-26/h4-11,13-14,17,26,31H,2-3,12,16H2,1H3,(H,32,35)/t26-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay


J Med Chem 58: 3611-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00352
BindingDB Entry DOI: 10.7270/Q2571DQB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50448696
PNG
(CHEMBL3127869)
Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1sc(OCC4(CC4)C#N)nc1C1CC1)C(C3)C2
Show InChI InChI=1S/C22H27N3O3S/c23-10-21(3-4-21)11-28-20-25-17(13-1-2-13)18(29-20)19(26)24-16-14-5-12-6-15(16)9-22(27,7-12)8-14/h12-16,27H,1-9,11H2,(H,24,26)/t12?,14?,15?,16-,22-
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n/an/a 8.10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis


J Med Chem 57: 970-86 (2014)


Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50448723
PNG
(CHEMBL3127891)
Show SMILES Cc1nc(OCC(F)(F)F)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C17H21F3N2O3S/c1-8-21-15(25-7-17(18,19)20)13(26-8)14(23)22-12-10-2-9-3-11(12)6-16(24,4-9)5-10/h9-12,24H,2-7H2,1H3,(H,22,23)/t9?,10?,11?,12-,16-
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n/an/a 8.30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis


J Med Chem 57: 970-86 (2014)


Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50448734
PNG
(CHEMBL3127865)
Show SMILES COC[C@H](C)Oc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C21H30N2O4S/c1-11(10-26-2)27-20-23-17(13-3-4-13)18(28-20)19(24)22-16-14-5-12-6-15(16)9-21(25,7-12)8-14/h11-16,25H,3-10H2,1-2H3,(H,22,24)/t11-,12?,14?,15?,16-,21-/m0/s1
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n/an/a 8.80n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6-His-tagged full-length mouse 11beta-HSD1 assessed as conversion of cortisone to cortisol after 25 mins by competitive HTRF...


J Med Chem 57: 970-86 (2014)


Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50448704
PNG
(CHEMBL3127856)
Show SMILES COC[C@H](C)Oc1nc([C@H]2CCCO2)c(s1)C(=O)NC1C2CC3CC1CC(O)(C3)C2
Show InChI InChI=1S/C22H32N2O5S/c1-12(11-27-2)29-21-24-18(16-4-3-5-28-16)19(30-21)20(25)23-17-14-6-13-7-15(17)10-22(26,8-13)9-14/h12-17,26H,3-11H2,1-2H3,(H,23,25)/t12-,13?,14?,15?,16+,17?,22?/m0/s1
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n/an/a 8.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6-His-tagged full-length mouse 11beta-HSD1 assessed as conversion of cortisone to cortisol after 25 mins by competitive HTRF...


J Med Chem 57: 970-86 (2014)


Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50400149
PNG
(CHEMBL2179456)
Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(NC4COC4)nc1C1CCCC1)C(C3)C2
Show InChI InChI=1S/C23H32N4O3/c28-21(26-19-15-5-13-6-16(19)9-23(29,7-13)8-15)18-10-24-22(25-17-11-30-12-17)27-20(18)14-3-1-2-4-14/h10,13-17,19,29H,1-9,11-12H2,(H,26,28)(H,24,25,27)/t13?,15?,16?,19-,23-
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n/an/a 9n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by HTRF assay


J Med Chem 55: 10652-61 (2012)


Article DOI: 10.1021/jm3013163
BindingDB Entry DOI: 10.7270/Q2BG2Q4S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50448698
PNG
(CHEMBL3127864)
Show SMILES COC[C@@H](C)Oc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C21H30N2O4S/c1-11(10-26-2)27-20-23-17(13-3-4-13)18(28-20)19(24)22-16-14-5-12-6-15(16)9-21(25,7-12)8-14/h11-16,25H,3-10H2,1-2H3,(H,22,24)/t11-,12?,14?,15?,16-,21-/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 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis


J Med Chem 57: 970-86 (2014)


Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149
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))
BDBM50448702
PNG
(CHEMBL3127860)
Show SMILES CCOc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C19H26N2O3S/c1-2-24-18-21-15(11-3-4-11)16(25-18)17(22)20-14-12-5-10-6-13(14)9-19(23,7-10)8-12/h10-14,23H,2-9H2,1H3,(H,20,22)/t10?,12?,13?,14-,19-
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n/an/a 9.10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6-His-tagged full-length human 11beta-HSD1 assessed as conversion of cortisone to cortisol after 25 mins by competitive HTRF...


J Med Chem 57: 970-86 (2014)


Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50448731
PNG
(CHEMBL3127868)
Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1sc(OCC4CC4)nc1C1CC1)C(C3)C2
Show InChI InChI=1S/C21H28N2O3S/c24-19(22-16-14-5-12-6-15(16)9-21(25,7-12)8-14)18-17(13-3-4-13)23-20(27-18)26-10-11-1-2-11/h11-16,25H,1-10H2,(H,22,24)/t12?,14?,15?,16-,21-
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n/an/a 9.10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6-His-tagged full-length human 11beta-HSD1 assessed as conversion of cortisone to cortisol after 25 mins by competitive HTRF...


J Med Chem 57: 970-86 (2014)


Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50448705
PNG
(CHEMBL3127855)
Show SMILES COCCOc1nc([C@H]2CCCO2)c(s1)C(=O)NC1C2CC3CC1CC(O)(C3)C2
Show InChI InChI=1S/C21H30N2O5S/c1-26-5-6-28-20-23-17(15-3-2-4-27-15)18(29-20)19(24)22-16-13-7-12-8-14(16)11-21(25,9-12)10-13/h12-16,25H,2-11H2,1H3,(H,22,24)/t12?,13?,14?,15-,16?,21?/m1/s1
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n/an/a 9.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6-His-tagged full-length mouse 11beta-HSD1 assessed as conversion of cortisone to cortisol after 25 mins by competitive HTRF...


J Med Chem 57: 970-86 (2014)


Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149
More data for this
Ligand-Target Pair
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