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Compile Data Set for Download or QSAR

Found 5965 hits with Last Name = 'thompson' and Initial = 'c'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aurora kinase B


(Homo sapiens (Human))
BDBM50315769
PNG
(3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...)
Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1
Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)
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0.380n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of Aurora B ATP binding site


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50315769
PNG
(3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...)
Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1
Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)
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0.380n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of human Aurora B ATP binding site by rapid dilution method


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50019443
PNG
(1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...)
Show SMILES CC(C)NCC(O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
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0.400n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Binding affinity at human adrenergic beta2 receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50019443
PNG
(1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...)
Show SMILES CC(C)NCC(O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
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0.520n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Binding affinity at human adrenergic beta1 receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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0.600n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50136685
PNG
(CHEMBL337822 | [3-Furan-2-yl-3-(naphthalen-1-yloxy...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1ccco1
Show InChI InChI=1S/C18H19NO2/c1-19-12-11-18(17-10-5-13-20-17)21-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,18-19H,11-12H2,1H3
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0.700n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Binding affinity to serotonin transporter, using [3H]-citalopram as radioligand


Bioorg Med Chem Lett 13: 4477-80 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.079
BindingDB Entry DOI: 10.7270/Q24J0DJH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Ability to inhibit the reuptake of 5-HT at human serotonin transporter


Bioorg Med Chem Lett 13: 4477-80 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.079
BindingDB Entry DOI: 10.7270/Q24J0DJH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50136672
PNG
(CHEMBL342716 | [3-(4-Fluoro-phenyl)-3-(naphthalen-...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H20FNO/c1-22-14-13-19(16-9-11-17(21)12-10-16)23-20-8-4-6-15-5-2-3-7-18(15)20/h2-12,19,22H,13-14H2,1H3
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0.950n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Binding affinity to serotonin transporter, using [3H]-citalopram as radioligand


Bioorg Med Chem Lett 13: 4477-80 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.079
BindingDB Entry DOI: 10.7270/Q24J0DJH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50481599
PNG
(CHEMBL591680 | Methyl 4-Azidobutylphosphonofluorid...)
Show SMILES COP(F)(=O)CCCCN=[N+]=[N-]
Show InChI InChI=1S/C5H11FN3O2P/c1-11-12(6,10)5-3-2-4-8-9-7/h2-5H2,1H3
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0.960n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel recombinant AChE


Bioorg Med Chem Lett 20: 1194-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.007
BindingDB Entry DOI: 10.7270/Q27W6G0T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50481600
PNG
(CHEMBL596625)
Show SMILES COP(F)(=O)CCCn1cc(CNS(=O)(=O)c2cccc3c(cccc23)N(C)C)nn1
Show InChI InChI=1S/C19H25FN5O4PS/c1-24(2)18-9-4-8-17-16(18)7-5-10-19(17)31(27,28)21-13-15-14-25(23-22-15)11-6-12-30(20,26)29-3/h4-5,7-10,14,21H,6,11-13H2,1-3H3
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1n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant AChE


Bioorg Med Chem Lett 20: 1194-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.007
BindingDB Entry DOI: 10.7270/Q27W6G0T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50481597
PNG
(CHEMBL611462)
Show SMILES COP(F)(=O)CCCCn1cc(CNS(=O)(=O)c2ccc(C3=c4cc5CCC[N+]6=c5c(CCC6)c4Oc4c5CCCN6CCCc(cc34)c56)c(c2)S([O-])(=O)=O)nn1
Show InChI InChI=1S/C39H44FN6O8PS2/c1-53-55(40,47)19-3-2-18-46-24-27(42-43-46)23-41-56(48,49)28-12-13-29(34(22-28)57(50,51)52)35-32-20-25-8-4-14-44-16-6-10-30(36(25)44)38(32)54-39-31-11-7-17-45-15-5-9-26(37(31)45)21-33(35)39/h12-13,20-22,24,41H,2-11,14-19,23H2,1H3
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1n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel recombinant AChE


Bioorg Med Chem Lett 20: 1194-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.007
BindingDB Entry DOI: 10.7270/Q27W6G0T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50481599
PNG
(CHEMBL591680 | Methyl 4-Azidobutylphosphonofluorid...)
Show SMILES COP(F)(=O)CCCCN=[N+]=[N-]
Show InChI InChI=1S/C5H11FN3O2P/c1-11-12(6,10)5-3-2-4-8-9-7/h2-5H2,1H3
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1n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant AChE


Bioorg Med Chem Lett 20: 1194-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.007
BindingDB Entry DOI: 10.7270/Q27W6G0T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50481588
PNG
(CHEMBL611461)
Show SMILES COP(F)(=O)CCCn1cc(CNS(=O)(=O)c2ccc(C3=c4cc5CCC[N+]6=c5c(CCC6)c4Oc4c5CCCN6CCCc(cc34)c56)c(c2)S([O-])(=O)=O)nn1
Show InChI InChI=1S/C38H42FN6O8PS2/c1-52-54(39,46)18-6-17-45-23-26(41-42-45)22-40-55(47,48)27-11-12-28(33(21-27)56(49,50)51)34-31-19-24-7-2-13-43-15-4-9-29(35(24)43)37(31)53-38-30-10-5-16-44-14-3-8-25(36(30)44)20-32(34)38/h11-12,19-21,23,40H,2-10,13-18,22H2,1H3
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1n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel recombinant AChE


Bioorg Med Chem Lett 20: 1194-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.007
BindingDB Entry DOI: 10.7270/Q27W6G0T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50481589
PNG
(CHEMBL611463)
Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCc3cn(CCCP(F)(=O)OC)nn3)c3ccc(cc3oc2c1)=[N+](CC)CC
Show InChI InChI=1S/C34H42FN6O8PS2/c1-6-39(7-2)25-11-14-28-31(19-25)49-32-20-26(40(8-3)9-4)12-15-29(32)34(28)30-16-13-27(21-33(30)52(45,46)47)51(43,44)36-22-24-23-41(38-37-24)17-10-18-50(35,42)48-5/h11-16,19-21,23,36H,6-10,17-18,22H2,1-5H3
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1n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant AChE


Bioorg Med Chem Lett 20: 1194-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.007
BindingDB Entry DOI: 10.7270/Q27W6G0T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50481588
PNG
(CHEMBL611461)
Show SMILES COP(F)(=O)CCCn1cc(CNS(=O)(=O)c2ccc(C3=c4cc5CCC[N+]6=c5c(CCC6)c4Oc4c5CCCN6CCCc(cc34)c56)c(c2)S([O-])(=O)=O)nn1
Show InChI InChI=1S/C38H42FN6O8PS2/c1-52-54(39,46)18-6-17-45-23-26(41-42-45)22-40-55(47,48)27-11-12-28(33(21-27)56(49,50)51)34-31-19-24-7-2-13-43-15-4-9-29(35(24)43)37(31)53-38-30-10-5-16-44-14-3-8-25(36(30)44)20-32(34)38/h11-12,19-21,23,40H,2-10,13-18,22H2,1H3
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1n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant AChE


Bioorg Med Chem Lett 20: 1194-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.007
BindingDB Entry DOI: 10.7270/Q27W6G0T
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50490821
PNG
(2-Fluoroethyl 4-Nitrophenyl Ethylphosphonate | CHE...)
Show SMILES CCP(=O)(OCCF)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H13FNO5P/c1-2-18(15,16-8-7-11)17-10-5-3-9(4-6-10)12(13)14/h3-6H,2,7-8H2,1H3
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1n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by time-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.010
BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50391923
PNG
(CHEMBL2147566)
Show SMILES CC(C)(CO)NC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C30H34FN3O3/c1-28(2,19-35)33-27(36)25-7-5-4-6-20(25)12-14-30(37)15-13-22-16-26-21(17-29(22,30)3)18-32-34(26)24-10-8-23(31)9-11-24/h4-11,16,18,35,37H,12-15,17,19H2,1-3H3,(H,33,36)/t29-,30-/m0/s1
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1n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells


Bioorg Med Chem 19: 7374-86 (2011)


Article DOI: 10.1016/j.bmc.2011.10.054
BindingDB Entry DOI: 10.7270/Q2XS5WH9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50481597
PNG
(CHEMBL611462)
Show SMILES COP(F)(=O)CCCCn1cc(CNS(=O)(=O)c2ccc(C3=c4cc5CCC[N+]6=c5c(CCC6)c4Oc4c5CCCN6CCCc(cc34)c56)c(c2)S([O-])(=O)=O)nn1
Show InChI InChI=1S/C39H44FN6O8PS2/c1-53-55(40,47)19-3-2-18-46-24-27(42-43-46)23-41-56(48,49)28-12-13-29(34(22-28)57(50,51)52)35-32-20-25-8-4-14-44-16-6-10-30(36(25)44)38(32)54-39-31-11-7-17-45-15-5-9-26(37(31)45)21-33(35)39/h12-13,20-22,24,41H,2-11,14-19,23H2,1H3
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1n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant AChE


Bioorg Med Chem Lett 20: 1194-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.007
BindingDB Entry DOI: 10.7270/Q27W6G0T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50481598
PNG
(CHEMBL611464)
Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCc3cn(CCCCP(F)(=O)OC)nn3)c3ccc(cc3oc2c1)=[N+](CC)CC
Show InChI InChI=1S/C35H44FN6O8PS2/c1-6-40(7-2)26-12-15-29-32(20-26)50-33-21-27(41(8-3)9-4)13-16-30(33)35(29)31-17-14-28(22-34(31)53(46,47)48)52(44,45)37-23-25-24-42(39-38-25)18-10-11-19-51(36,43)49-5/h12-17,20-22,24,37H,6-11,18-19,23H2,1-5H3
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1n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant AChE


Bioorg Med Chem Lett 20: 1194-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.007
BindingDB Entry DOI: 10.7270/Q27W6G0T
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50391916
PNG
(CHEMBL2147556)
Show SMILES C[C@]12Cc3cnn(c3C=C1CC[C@@]2(O)CCc1ccccc1C(=O)NCC=C)-c1ccc(F)cc1
Show InChI InChI=1S/C29H30FN3O2/c1-3-16-31-27(34)25-7-5-4-6-20(25)12-14-29(35)15-13-22-17-26-21(18-28(22,29)2)19-32-33(26)24-10-8-23(30)9-11-24/h3-11,17,19,35H,1,12-16,18H2,2H3,(H,31,34)/t28-,29-/m0/s1
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1n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells


Bioorg Med Chem 19: 7374-86 (2011)


Article DOI: 10.1016/j.bmc.2011.10.054
BindingDB Entry DOI: 10.7270/Q2XS5WH9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50481589
PNG
(CHEMBL611463)
Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCc3cn(CCCP(F)(=O)OC)nn3)c3ccc(cc3oc2c1)=[N+](CC)CC
Show InChI InChI=1S/C34H42FN6O8PS2/c1-6-39(7-2)25-11-14-28-31(19-25)49-32-20-26(40(8-3)9-4)12-15-29(32)34(28)30-16-13-27(21-33(30)52(45,46)47)51(43,44)36-22-24-23-41(38-37-24)17-10-18-50(35,42)48-5/h11-16,19-21,23,36H,6-10,17-18,22H2,1-5H3
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1n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel recombinant AChE


Bioorg Med Chem Lett 20: 1194-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.007
BindingDB Entry DOI: 10.7270/Q27W6G0T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50481598
PNG
(CHEMBL611464)
Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCc3cn(CCCCP(F)(=O)OC)nn3)c3ccc(cc3oc2c1)=[N+](CC)CC
Show InChI InChI=1S/C35H44FN6O8PS2/c1-6-40(7-2)26-12-15-29-32(20-26)50-33-21-27(41(8-3)9-4)13-16-30(33)35(29)31-17-14-28(22-34(31)53(46,47)48)52(44,45)37-23-25-24-42(39-38-25)18-10-11-19-51(36,43)49-5/h12-17,20-22,24,37H,6-11,18-19,23H2,1-5H3
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1n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel recombinant AChE


Bioorg Med Chem Lett 20: 1194-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.007
BindingDB Entry DOI: 10.7270/Q27W6G0T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50136683
PNG
(CHEMBL142028 | Methyl-[3-(naphthalen-1-yloxy)-3-th...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1ccsc1
Show InChI InChI=1S/C18H19NOS/c1-19-11-9-17(15-10-12-21-13-15)20-18-8-4-6-14-5-2-3-7-16(14)18/h2-8,10,12-13,17,19H,9,11H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Binding affinity to serotonin transporter, using [3H]-citalopram as radioligand


Bioorg Med Chem Lett 13: 4477-80 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.079
BindingDB Entry DOI: 10.7270/Q24J0DJH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50481601
PNG
(CHEMBL599696)
Show SMILES COP(F)(=O)CCCCn1cc(CNS(=O)(=O)c2ccc(cc2)\N=N\c2ccc(cc2)N(C)C)nn1
Show InChI InChI=1S/C22H29FN7O4PS/c1-29(2)21-10-6-18(7-11-21)25-26-19-8-12-22(13-9-19)36(32,33)24-16-20-17-30(28-27-20)14-4-5-15-35(23,31)34-3/h6-13,17,24H,4-5,14-16H2,1-3H3/b26-25+
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1.10n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel recombinant AChE


Bioorg Med Chem Lett 20: 1194-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.007
BindingDB Entry DOI: 10.7270/Q27W6G0T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50490825
PNG
(CHEMBL2348368)
Show SMILES Cc1ccc(cc1)S(=O)(=O)OCCOP(C)(=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H18NO8PS/c1-13-3-9-16(10-4-13)27(21,22)24-12-11-23-26(2,20)25-15-7-5-14(6-8-15)17(18)19/h3-10H,11-12H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by time-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.010
BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50490821
PNG
(2-Fluoroethyl 4-Nitrophenyl Ethylphosphonate | CHE...)
Show SMILES CCP(=O)(OCCF)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H13FNO5P/c1-2-18(15,16-8-7-11)17-10-5-3-9(4-6-10)12(13)14/h3-6H,2,7-8H2,1H3
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1.20n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of rat brain AChE by concentration-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.010
BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50490824
PNG
(CHEMBL2348369)
Show SMILES CP(=S)(OCCBr)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C9H11BrNO4PS/c1-16(17,14-7-6-10)15-9-4-2-8(3-5-9)11(12)13/h2-5H,6-7H2,1H3
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1.20n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by time-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.010
BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220910
PNG
((S)-1-(1H-indol-4-yloxy)-3-(cyclohexylamino)propan...)
Show SMILES O[C@@H](CNC1CCCCC1)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C17H24N2O2/c20-14(11-19-13-5-2-1-3-6-13)12-21-17-8-4-7-16-15(17)9-10-18-16/h4,7-10,13-14,18-20H,1-3,5-6,11-12H2/t14-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50481590
PNG
(CHEMBL601942 | Methyl 3-Azidopropylphosphonofluori...)
Show SMILES COP(F)(=O)CCCN=[N+]=[N-]
Show InChI InChI=1S/C4H9FN3O2P/c1-10-11(5,9)4-2-3-7-8-6/h2-4H2,1H3
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1.30n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant AChE


Bioorg Med Chem Lett 20: 1194-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.007
BindingDB Entry DOI: 10.7270/Q27W6G0T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50481600
PNG
(CHEMBL596625)
Show SMILES COP(F)(=O)CCCn1cc(CNS(=O)(=O)c2cccc3c(cccc23)N(C)C)nn1
Show InChI InChI=1S/C19H25FN5O4PS/c1-24(2)18-9-4-8-17-16(18)7-5-10-19(17)31(27,28)21-13-15-14-25(23-22-15)11-6-12-30(20,26)29-3/h4-5,7-10,14,21H,6,11-13H2,1-3H3
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1.30n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel recombinant AChE


Bioorg Med Chem Lett 20: 1194-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.007
BindingDB Entry DOI: 10.7270/Q27W6G0T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50136680
PNG
(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1cccs1
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3
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1.40n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Binding affinity to serotonin transporter, using [3H]-citalopram as radioligand


Bioorg Med Chem Lett 13: 4477-80 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.079
BindingDB Entry DOI: 10.7270/Q24J0DJH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50481594
PNG
(CHEMBL596882)
Show SMILES CCN(CC)c1ccc2oc(=O)c(cc2c1)C(=O)NCc1cn(CCCCP(F)(=O)OC)nn1
Show InChI InChI=1S/C22H29FN5O5P/c1-4-27(5-2)18-8-9-20-16(12-18)13-19(22(30)33-20)21(29)24-14-17-15-28(26-25-17)10-6-7-11-34(23,31)32-3/h8-9,12-13,15H,4-7,10-11,14H2,1-3H3,(H,24,29)
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1.40n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant AChE


Bioorg Med Chem Lett 20: 1194-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.007
BindingDB Entry DOI: 10.7270/Q27W6G0T
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50490822
PNG
(2-Fluoroethyl 4-Nitrophenyl Methylphosphonate | CH...)
Show SMILES CP(=O)(OCCF)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C9H11FNO5P/c1-17(14,15-7-6-10)16-9-4-2-8(3-5-9)11(12)13/h2-5H,6-7H2,1H3
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1.40n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by time-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.010
BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50315769
PNG
(3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...)
Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1
Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)
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1.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of human Aurora C ATP binding site


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50240416
PNG
(CHEMBL23838 | O,O-diethyl O-p-nitrophenyl phosphat...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
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1.60n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of rat brain AChE by concentration-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.010
BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50481595
PNG
(CHEMBL597694)
Show SMILES COc1ccc2oc(=O)c(cc2c1)C(=O)NCc1cn(CCCP(F)(=O)OC)nn1
Show InChI InChI=1S/C18H20FN4O6P/c1-27-14-4-5-16-12(8-14)9-15(18(25)29-16)17(24)20-10-13-11-23(22-21-13)6-3-7-30(19,26)28-2/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,20,24)
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1.80n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel recombinant AChE


Bioorg Med Chem Lett 20: 1194-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.007
BindingDB Entry DOI: 10.7270/Q27W6G0T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50481593
PNG
(CHEMBL597280)
Show SMILES COP(F)(=O)CCCn1cc(CNS(=O)(=O)c2ccc3ccc4cccc5ccc2c3c45)nn1
Show InChI InChI=1S/C23H22FN4O4PS/c1-32-33(24,29)13-3-12-28-15-19(26-27-28)14-25-34(30,31)21-11-9-18-7-6-16-4-2-5-17-8-10-20(21)23(18)22(16)17/h2,4-11,15,25H,3,12-14H2,1H3
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1.80n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel recombinant AChE


Bioorg Med Chem Lett 20: 1194-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.007
BindingDB Entry DOI: 10.7270/Q27W6G0T
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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1.80n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of Aurora B ATP binding site


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50481591
PNG
(CHEMBL599491)
Show SMILES COP(F)(=O)CCCCn1cc(CNS(=O)(=O)c2cccc3c(cccc23)N(C)C)nn1
Show InChI InChI=1S/C20H27FN5O4PS/c1-25(2)19-10-6-9-18-17(19)8-7-11-20(18)32(28,29)22-14-16-15-26(24-23-16)12-4-5-13-31(21,27)30-3/h6-11,15,22H,4-5,12-14H2,1-3H3
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1.90n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant AChE


Bioorg Med Chem Lett 20: 1194-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.007
BindingDB Entry DOI: 10.7270/Q27W6G0T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50240416
PNG
(CHEMBL23838 | O,O-diethyl O-p-nitrophenyl phosphat...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
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2n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by concentration-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.010
BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50136679
PNG
(CHEMBL141741 | Methyl-[3-(naphthalen-1-yloxy)-3-o-...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1ccccc1C
Show InChI InChI=1S/C21H23NO/c1-16-8-3-5-11-18(16)21(14-15-22-2)23-20-13-7-10-17-9-4-6-12-19(17)20/h3-13,21-22H,14-15H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Binding affinity to serotonin transporter, using [3H]-citalopram as radioligand


Bioorg Med Chem Lett 13: 4477-80 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.079
BindingDB Entry DOI: 10.7270/Q24J0DJH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50391919
PNG
(CHEMBL2147561)
Show SMILES CCNC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C28H30FN3O2/c1-3-30-26(33)24-7-5-4-6-19(24)12-14-28(34)15-13-21-16-25-20(17-27(21,28)2)18-31-32(25)23-10-8-22(29)9-11-23/h4-11,16,18,34H,3,12-15,17H2,1-2H3,(H,30,33)/t27-,28-/m0/s1
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells


Bioorg Med Chem 19: 7374-86 (2011)


Article DOI: 10.1016/j.bmc.2011.10.054
BindingDB Entry DOI: 10.7270/Q2XS5WH9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50391917
PNG
(CHEMBL2147557)
Show SMILES CCCNC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C29H32FN3O2/c1-3-16-31-27(34)25-7-5-4-6-20(25)12-14-29(35)15-13-22-17-26-21(18-28(22,29)2)19-32-33(26)24-10-8-23(30)9-11-24/h4-11,17,19,35H,3,12-16,18H2,1-2H3,(H,31,34)/t28-,29-/m0/s1
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells


Bioorg Med Chem 19: 7374-86 (2011)


Article DOI: 10.1016/j.bmc.2011.10.054
BindingDB Entry DOI: 10.7270/Q2XS5WH9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50391913
PNG
(CHEMBL2147553)
Show SMILES CNC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C27H28FN3O2/c1-26-16-19-17-30-31(22-9-7-21(28)8-10-22)24(19)15-20(26)12-14-27(26,33)13-11-18-5-3-4-6-23(18)25(32)29-2/h3-10,15,17,33H,11-14,16H2,1-2H3,(H,29,32)/t26-,27-/m0/s1
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells


Bioorg Med Chem 19: 7374-86 (2011)


Article DOI: 10.1016/j.bmc.2011.10.054
BindingDB Entry DOI: 10.7270/Q2XS5WH9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50391920
PNG
(CHEMBL2147562)
Show SMILES C[C@]12Cc3cnn(c3C=C1CC[C@@]2(O)CCc1ccccc1C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C26H26FN3O2/c1-25-15-18-16-29-30(21-8-6-20(27)7-9-21)23(18)14-19(25)11-13-26(25,32)12-10-17-4-2-3-5-22(17)24(28)31/h2-9,14,16,32H,10-13,15H2,1H3,(H2,28,31)/t25-,26-/m0/s1
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells


Bioorg Med Chem 19: 7374-86 (2011)


Article DOI: 10.1016/j.bmc.2011.10.054
BindingDB Entry DOI: 10.7270/Q2XS5WH9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50481602
PNG
(CHEMBL596881)
Show SMILES CCN(CC)c1ccc2oc(=O)c(cc2c1)C(=O)NCc1cn(CCCP(F)(=O)OC)nn1
Show InChI InChI=1S/C21H27FN5O5P/c1-4-26(5-2)17-7-8-19-15(11-17)12-18(21(29)32-19)20(28)23-13-16-14-27(25-24-16)9-6-10-33(22,30)31-3/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,23,28)
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2.10n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant AChE


Bioorg Med Chem Lett 20: 1194-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.007
BindingDB Entry DOI: 10.7270/Q27W6G0T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50136689
PNG
(CHEMBL141114 | Methyl-[3-(naphthalen-1-yloxy)-3-p-...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1ccc(C)cc1
Show InChI InChI=1S/C21H23NO/c1-16-10-12-18(13-11-16)20(14-15-22-2)23-21-9-5-7-17-6-3-4-8-19(17)21/h3-13,20,22H,14-15H2,1-2H3
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2.10n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Binding affinity to serotonin transporter, using [3H]-citalopram as radioligand


Bioorg Med Chem Lett 13: 4477-80 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.079
BindingDB Entry DOI: 10.7270/Q24J0DJH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50136690
PNG
(CHEMBL337791 | [3-(3-Methoxy-phenyl)-3-(naphthalen...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1cccc(OC)c1
Show InChI InChI=1S/C21H23NO2/c1-22-14-13-20(17-9-5-10-18(15-17)23-2)24-21-12-6-8-16-7-3-4-11-19(16)21/h3-12,15,20,22H,13-14H2,1-2H3
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2.20n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Binding affinity to serotonin transporter, using [3H]-citalopram as radioligand


Bioorg Med Chem Lett 13: 4477-80 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.079
BindingDB Entry DOI: 10.7270/Q24J0DJH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50136691
PNG
(CHEMBL139106 | [3-(2-Methoxy-phenyl)-3-(naphthalen...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1ccccc1OC
Show InChI InChI=1S/C21H23NO2/c1-22-15-14-21(18-11-5-6-12-19(18)23-2)24-20-13-7-9-16-8-3-4-10-17(16)20/h3-13,21-22H,14-15H2,1-2H3
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2.30n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Binding affinity to serotonin transporter, using [3H]-citalopram as radioligand


Bioorg Med Chem Lett 13: 4477-80 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.079
BindingDB Entry DOI: 10.7270/Q24J0DJH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50136682
PNG
(CHEMBL141681 | Methyl-[3-(naphthalen-1-yloxy)-3-ph...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C20H21NO/c1-21-15-14-19(17-9-3-2-4-10-17)22-20-13-7-11-16-8-5-6-12-18(16)20/h2-13,19,21H,14-15H2,1H3
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2.40n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Binding affinity to serotonin transporter, using [3H]-citalopram as radioligand


Bioorg Med Chem Lett 13: 4477-80 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.079
BindingDB Entry DOI: 10.7270/Q24J0DJH
More data for this
Ligand-Target Pair
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