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Compile Data Set for Download or QSAR

Found 78 hits from CSIRO Molecular and Health Technologies   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50325662
PNG
(CHEMBL1224034 | N-cyclohexyl-8-fluoro-3,3a,4,9b-te...)
Show SMILES Fc1ccc2SCC3CON(C3c2c1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C17H21FN2O2S/c18-12-6-7-15-14(8-12)16-11(10-23-15)9-22-20(16)17(21)19-13-4-2-1-3-5-13/h6-8,11,13,16H,1-5,9-10H2,(H,19,21)
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42n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT2B receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50325659
PNG
(8-fluoro-N-phenyl-3,3a,4,9b-tetrahydro-1H-thiochro...)
Show SMILES Fc1ccc2SCC3CON(C3c2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C17H15FN2O2S/c18-12-6-7-15-14(8-12)16-11(10-23-15)9-22-20(16)17(21)19-13-4-2-1-3-5-13/h1-8,11,16H,9-10H2,(H,19,21)
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223n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT2B receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50325661
PNG
(8-fluoro-N-propyl-3,3a,4,9b-tetrahydro-1H-thiochro...)
Show SMILES CCCNC(=O)N1OCC2CSc3ccc(F)cc3C12
Show InChI InChI=1S/C14H17FN2O2S/c1-2-5-16-14(18)17-13-9(7-19-17)8-20-12-4-3-10(15)6-11(12)13/h3-4,6,9,13H,2,5,7-8H2,1H3,(H,16,18)
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384n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT2B receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50325663
PNG
(CHEMBL1224035 | N-butyl-8-fluoro-3,3a,4,9b-tetrahy...)
Show SMILES CCCCNC(=O)N1OCC2CSc3ccc(F)cc3C12
Show InChI InChI=1S/C15H19FN2O2S/c1-2-3-6-17-15(19)18-14-10(8-20-18)9-21-13-5-4-11(16)7-12(13)14/h4-5,7,10,14H,2-3,6,8-9H2,1H3,(H,17,19)
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489n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT2B receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50325660
PNG
(8-fluoro-N-isopropyl-3,3a,4,9b-tetrahydro-1H-thioc...)
Show SMILES CC(C)NC(=O)N1OCC2CSc3ccc(F)cc3C12
Show InChI InChI=1S/C14H17FN2O2S/c1-8(2)16-14(18)17-13-9(6-19-17)7-20-12-4-3-10(15)5-11(12)13/h3-5,8-9,13H,6-7H2,1-2H3,(H,16,18)
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569n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT2B receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50325664
PNG
(CHEMBL1224036 | N-phenyl-3,3a,4,9b-tetrahydro-1H-c...)
Show SMILES O=C(Nc1ccccc1)N1OCC2COc3ccccc3C12
Show InChI InChI=1S/C17H16N2O3/c20-17(18-13-6-2-1-3-7-13)19-16-12(11-22-19)10-21-15-9-5-4-8-14(15)16/h1-9,12,16H,10-11H2,(H,18,20)
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1.61E+3n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT2B receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50325667
PNG
(CHEMBL1224103 | N-cyclohexyl-3,3a,4,9b-tetrahydro-...)
Show SMILES O=C(NC1CCCCC1)N1OCC2COc3ccccc3C12
Show InChI InChI=1S/C17H22N2O3/c20-17(18-13-6-2-1-3-7-13)19-16-12(11-22-19)10-21-15-9-5-4-8-14(15)16/h4-5,8-9,12-13,16H,1-3,6-7,10-11H2,(H,18,20)
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1.77E+3n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT2B receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50325670
PNG
(CHEMBL1224106 | N-o-tolyl-3,3a,4,9b-tetrahydro-1H-...)
Show SMILES Cc1ccccc1NC(=O)N1OCC2COc3ccccc3C12
Show InChI InChI=1S/C18H18N2O3/c1-12-6-2-4-8-15(12)19-18(21)20-17-13(11-23-20)10-22-16-9-5-3-7-14(16)17/h2-9,13,17H,10-11H2,1H3,(H,19,21)
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4.00E+3n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT2B receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50325659
PNG
(8-fluoro-N-phenyl-3,3a,4,9b-tetrahydro-1H-thiochro...)
Show SMILES Fc1ccc2SCC3CON(C3c2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C17H15FN2O2S/c18-12-6-7-15-14(8-12)16-11(10-23-15)9-22-20(16)17(21)19-13-4-2-1-3-5-13/h1-8,11,16H,9-10H2,(H,19,21)
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5.17E+3n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5HT2C receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50325666
PNG
(CHEMBL1224102 | N-propyl-3,3a,4,9b-tetrahydro-1H-c...)
Show SMILES CCCNC(=O)N1OCC2COc3ccccc3C12
Show InChI InChI=1S/C14H18N2O3/c1-2-7-15-14(17)16-13-10(9-19-16)8-18-12-6-4-3-5-11(12)13/h3-6,10,13H,2,7-9H2,1H3,(H,15,17)
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6.60E+3n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT2B receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50325662
PNG
(CHEMBL1224034 | N-cyclohexyl-8-fluoro-3,3a,4,9b-te...)
Show SMILES Fc1ccc2SCC3CON(C3c2c1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C17H21FN2O2S/c18-12-6-7-15-14(8-12)16-11(10-23-15)9-22-20(16)17(21)19-13-4-2-1-3-5-13/h6-8,11,13,16H,1-5,9-10H2,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human NET


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50325662
PNG
(CHEMBL1224034 | N-cyclohexyl-8-fluoro-3,3a,4,9b-te...)
Show SMILES Fc1ccc2SCC3CON(C3c2c1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C17H21FN2O2S/c18-12-6-7-15-14(8-12)16-11(10-23-15)9-22-20(16)17(21)19-13-4-2-1-3-5-13/h6-8,11,13,16H,1-5,9-10H2,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]Citalopram from human SERT


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50325662
PNG
(CHEMBL1224034 | N-cyclohexyl-8-fluoro-3,3a,4,9b-te...)
Show SMILES Fc1ccc2SCC3CON(C3c2c1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C17H21FN2O2S/c18-12-6-7-15-14(8-12)16-11(10-23-15)9-22-20(16)17(21)19-13-4-2-1-3-5-13/h6-8,11,13,16H,1-5,9-10H2,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-3542 from human DAT


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50325670
PNG
(CHEMBL1224106 | N-o-tolyl-3,3a,4,9b-tetrahydro-1H-...)
Show SMILES Cc1ccccc1NC(=O)N1OCC2COc3ccccc3C12
Show InChI InChI=1S/C18H18N2O3/c1-12-6-2-4-8-15(12)19-18(21)20-17-13(11-23-20)10-22-16-9-5-3-7-14(16)17/h2-9,13,17H,10-11H2,1H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5HT2C receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50325670
PNG
(CHEMBL1224106 | N-o-tolyl-3,3a,4,9b-tetrahydro-1H-...)
Show SMILES Cc1ccccc1NC(=O)N1OCC2COc3ccccc3C12
Show InChI InChI=1S/C18H18N2O3/c1-12-6-2-4-8-15(12)19-18(21)20-17-13(11-23-20)10-22-16-9-5-3-7-14(16)17/h2-9,13,17H,10-11H2,1H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5HT2A receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50325669
PNG
(CHEMBL1224105 | N-butyl-3,3a,4,9b-tetrahydro-1H-ch...)
Show SMILES CCCCNC(=O)N1OCC2COc3ccccc3C12
Show InChI InChI=1S/C15H20N2O3/c1-2-3-8-16-15(18)17-14-11(10-20-17)9-19-13-7-5-4-6-12(13)14/h4-7,11,14H,2-3,8-10H2,1H3,(H,16,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5HT2C receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50325669
PNG
(CHEMBL1224105 | N-butyl-3,3a,4,9b-tetrahydro-1H-ch...)
Show SMILES CCCCNC(=O)N1OCC2COc3ccccc3C12
Show InChI InChI=1S/C15H20N2O3/c1-2-3-8-16-15(18)17-14-11(10-20-17)9-19-13-7-5-4-6-12(13)14/h4-7,11,14H,2-3,8-10H2,1H3,(H,16,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT2B receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50325669
PNG
(CHEMBL1224105 | N-butyl-3,3a,4,9b-tetrahydro-1H-ch...)
Show SMILES CCCCNC(=O)N1OCC2COc3ccccc3C12
Show InChI InChI=1S/C15H20N2O3/c1-2-3-8-16-15(18)17-14-11(10-20-17)9-19-13-7-5-4-6-12(13)14/h4-7,11,14H,2-3,8-10H2,1H3,(H,16,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5HT2A receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50325668
PNG
(CHEMBL1224104 | N-tert-butyl-3,3a,4,9b-tetrahydro-...)
Show SMILES CC(C)(C)NC(=O)N1OCC2COc3ccccc3C12
Show InChI InChI=1S/C15H20N2O3/c1-15(2,3)16-14(18)17-13-10(9-20-17)8-19-12-7-5-4-6-11(12)13/h4-7,10,13H,8-9H2,1-3H3,(H,16,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5HT2C receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50325668
PNG
(CHEMBL1224104 | N-tert-butyl-3,3a,4,9b-tetrahydro-...)
Show SMILES CC(C)(C)NC(=O)N1OCC2COc3ccccc3C12
Show InChI InChI=1S/C15H20N2O3/c1-15(2,3)16-14(18)17-13-10(9-20-17)8-19-12-7-5-4-6-11(12)13/h4-7,10,13H,8-9H2,1-3H3,(H,16,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT2B receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50325668
PNG
(CHEMBL1224104 | N-tert-butyl-3,3a,4,9b-tetrahydro-...)
Show SMILES CC(C)(C)NC(=O)N1OCC2COc3ccccc3C12
Show InChI InChI=1S/C15H20N2O3/c1-15(2,3)16-14(18)17-13-10(9-20-17)8-19-12-7-5-4-6-11(12)13/h4-7,10,13H,8-9H2,1-3H3,(H,16,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5HT2A receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50325667
PNG
(CHEMBL1224103 | N-cyclohexyl-3,3a,4,9b-tetrahydro-...)
Show SMILES O=C(NC1CCCCC1)N1OCC2COc3ccccc3C12
Show InChI InChI=1S/C17H22N2O3/c20-17(18-13-6-2-1-3-7-13)19-16-12(11-22-19)10-21-15-9-5-4-8-14(15)16/h4-5,8-9,12-13,16H,1-3,6-7,10-11H2,(H,18,20)
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>1.00E+4n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5HT2C receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50325667
PNG
(CHEMBL1224103 | N-cyclohexyl-3,3a,4,9b-tetrahydro-...)
Show SMILES O=C(NC1CCCCC1)N1OCC2COc3ccccc3C12
Show InChI InChI=1S/C17H22N2O3/c20-17(18-13-6-2-1-3-7-13)19-16-12(11-22-19)10-21-15-9-5-4-8-14(15)16/h4-5,8-9,12-13,16H,1-3,6-7,10-11H2,(H,18,20)
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>1.00E+4n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5HT2A receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50325666
PNG
(CHEMBL1224102 | N-propyl-3,3a,4,9b-tetrahydro-1H-c...)
Show SMILES CCCNC(=O)N1OCC2COc3ccccc3C12
Show InChI InChI=1S/C14H18N2O3/c1-2-7-15-14(17)16-13-10(9-19-16)8-18-12-6-4-3-5-11(12)13/h3-6,10,13H,2,7-9H2,1H3,(H,15,17)
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>1.00E+4n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5HT2C receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50325666
PNG
(CHEMBL1224102 | N-propyl-3,3a,4,9b-tetrahydro-1H-c...)
Show SMILES CCCNC(=O)N1OCC2COc3ccccc3C12
Show InChI InChI=1S/C14H18N2O3/c1-2-7-15-14(17)16-13-10(9-19-16)8-18-12-6-4-3-5-11(12)13/h3-6,10,13H,2,7-9H2,1H3,(H,15,17)
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>1.00E+4n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5HT2A receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50325665
PNG
(CHEMBL1224101 | N-isopropyl-3,3a,4,9b-tetrahydro-1...)
Show SMILES CC(C)NC(=O)N1OCC2COc3ccccc3C12
Show InChI InChI=1S/C14H18N2O3/c1-9(2)15-14(17)16-13-10(8-19-16)7-18-12-6-4-3-5-11(12)13/h3-6,9-10,13H,7-8H2,1-2H3,(H,15,17)
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>1.00E+4n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5HT2C receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50325665
PNG
(CHEMBL1224101 | N-isopropyl-3,3a,4,9b-tetrahydro-1...)
Show SMILES CC(C)NC(=O)N1OCC2COc3ccccc3C12
Show InChI InChI=1S/C14H18N2O3/c1-9(2)15-14(17)16-13-10(8-19-16)7-18-12-6-4-3-5-11(12)13/h3-6,9-10,13H,7-8H2,1-2H3,(H,15,17)
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>1.00E+4n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT2B receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50325665
PNG
(CHEMBL1224101 | N-isopropyl-3,3a,4,9b-tetrahydro-1...)
Show SMILES CC(C)NC(=O)N1OCC2COc3ccccc3C12
Show InChI InChI=1S/C14H18N2O3/c1-9(2)15-14(17)16-13-10(8-19-16)7-18-12-6-4-3-5-11(12)13/h3-6,9-10,13H,7-8H2,1-2H3,(H,15,17)
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>1.00E+4n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5HT2A receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50325664
PNG
(CHEMBL1224036 | N-phenyl-3,3a,4,9b-tetrahydro-1H-c...)
Show SMILES O=C(Nc1ccccc1)N1OCC2COc3ccccc3C12
Show InChI InChI=1S/C17H16N2O3/c20-17(18-13-6-2-1-3-7-13)19-16-12(11-22-19)10-21-15-9-5-4-8-14(15)16/h1-9,12,16H,10-11H2,(H,18,20)
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>1.00E+4n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5HT2C receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50325664
PNG
(CHEMBL1224036 | N-phenyl-3,3a,4,9b-tetrahydro-1H-c...)
Show SMILES O=C(Nc1ccccc1)N1OCC2COc3ccccc3C12
Show InChI InChI=1S/C17H16N2O3/c20-17(18-13-6-2-1-3-7-13)19-16-12(11-22-19)10-21-15-9-5-4-8-14(15)16/h1-9,12,16H,10-11H2,(H,18,20)
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>1.00E+4n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5HT2A receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50325663
PNG
(CHEMBL1224035 | N-butyl-8-fluoro-3,3a,4,9b-tetrahy...)
Show SMILES CCCCNC(=O)N1OCC2CSc3ccc(F)cc3C12
Show InChI InChI=1S/C15H19FN2O2S/c1-2-3-6-17-15(19)18-14-10(8-20-18)9-21-13-5-4-11(16)7-12(13)14/h4-5,7,10,14H,2-3,6,8-9H2,1H3,(H,17,19)
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>1.00E+4n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5HT2C receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50325663
PNG
(CHEMBL1224035 | N-butyl-8-fluoro-3,3a,4,9b-tetrahy...)
Show SMILES CCCCNC(=O)N1OCC2CSc3ccc(F)cc3C12
Show InChI InChI=1S/C15H19FN2O2S/c1-2-3-6-17-15(19)18-14-10(8-20-18)9-21-13-5-4-11(16)7-12(13)14/h4-5,7,10,14H,2-3,6,8-9H2,1H3,(H,17,19)
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>1.00E+4n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5HT2A receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50325662
PNG
(CHEMBL1224034 | N-cyclohexyl-8-fluoro-3,3a,4,9b-te...)
Show SMILES Fc1ccc2SCC3CON(C3c2c1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C17H21FN2O2S/c18-12-6-7-15-14(8-12)16-11(10-23-15)9-22-20(16)17(21)19-13-4-2-1-3-5-13/h6-8,11,13,16H,1-5,9-10H2,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5HT2C receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50325662
PNG
(CHEMBL1224034 | N-cyclohexyl-8-fluoro-3,3a,4,9b-te...)
Show SMILES Fc1ccc2SCC3CON(C3c2c1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C17H21FN2O2S/c18-12-6-7-15-14(8-12)16-11(10-23-15)9-22-20(16)17(21)19-13-4-2-1-3-5-13/h6-8,11,13,16H,1-5,9-10H2,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5HT2A receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50325659
PNG
(8-fluoro-N-phenyl-3,3a,4,9b-tetrahydro-1H-thiochro...)
Show SMILES Fc1ccc2SCC3CON(C3c2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C17H15FN2O2S/c18-12-6-7-15-14(8-12)16-11(10-23-15)9-22-20(16)17(21)19-13-4-2-1-3-5-13/h1-8,11,16H,9-10H2,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5HT2A receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50325660
PNG
(8-fluoro-N-isopropyl-3,3a,4,9b-tetrahydro-1H-thioc...)
Show SMILES CC(C)NC(=O)N1OCC2CSc3ccc(F)cc3C12
Show InChI InChI=1S/C14H17FN2O2S/c1-8(2)16-14(18)17-13-9(6-19-17)7-20-12-4-3-10(15)5-11(12)13/h3-5,8-9,13H,6-7H2,1-2H3,(H,16,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5HT2A receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50325660
PNG
(8-fluoro-N-isopropyl-3,3a,4,9b-tetrahydro-1H-thioc...)
Show SMILES CC(C)NC(=O)N1OCC2CSc3ccc(F)cc3C12
Show InChI InChI=1S/C14H17FN2O2S/c1-8(2)16-14(18)17-13-9(6-19-17)7-20-12-4-3-10(15)5-11(12)13/h3-5,8-9,13H,6-7H2,1-2H3,(H,16,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5HT2C receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50325661
PNG
(8-fluoro-N-propyl-3,3a,4,9b-tetrahydro-1H-thiochro...)
Show SMILES CCCNC(=O)N1OCC2CSc3ccc(F)cc3C12
Show InChI InChI=1S/C14H17FN2O2S/c1-2-5-16-14(18)17-13-9(7-19-17)8-20-12-4-3-10(15)6-11(12)13/h3-4,6,9,13H,2,5,7-8H2,1H3,(H,16,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5HT2A receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50325661
PNG
(8-fluoro-N-propyl-3,3a,4,9b-tetrahydro-1H-thiochro...)
Show SMILES CCCNC(=O)N1OCC2CSc3ccc(F)cc3C12
Show InChI InChI=1S/C14H17FN2O2S/c1-2-5-16-14(18)17-13-9(7-19-17)8-20-12-4-3-10(15)6-11(12)13/h3-4,6,9,13H,2,5,7-8H2,1H3,(H,16,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5HT2C receptor


Bioorg Med Chem Lett 20: 5488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.074
BindingDB Entry DOI: 10.7270/Q2M32VZW
More data for this
Ligand-Target Pair
Ecdysone receptor


(Lucilia cuprina)
BDBM50326776
PNG
(2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE | CHEM...)
Show SMILES CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H44O6/c1-15(2)6-7-23(31)26(5,32)22-9-11-27(33)17-12-19(28)18-13-20(29)21(30)14-24(18,3)16(17)8-10-25(22,27)4/h12,15-16,18,20-23,29-33H,6-11,13-14H2,1-5H3/t16-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1
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n/an/a 900n/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem 18: 5647-60 (2010)


Article DOI: 10.1016/j.bmc.2010.06.020
BindingDB Entry DOI: 10.7270/Q2MK6D43
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ecdysone receptor


(Lucilia cuprina)
BDBM50326767
PNG
(4-butyl-1-(2-tert-butyl-5-chlorophenyl)-5-methylen...)
Show SMILES CCCCC1=C(C#N)C(=O)N(C1=C)c1cc(Cl)ccc1C(C)(C)C
Show InChI InChI=1S/C20H23ClN2O/c1-6-7-8-15-13(2)23(19(24)16(15)12-22)18-11-14(21)9-10-17(18)20(3,4)5/h9-11H,2,6-8H2,1,3-5H3
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n/an/a 5.50E+3n/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem 18: 5647-60 (2010)


Article DOI: 10.1016/j.bmc.2010.06.020
BindingDB Entry DOI: 10.7270/Q2MK6D43
More data for this
Ligand-Target Pair
Ecdysone receptor


(Lucilia cuprina)
BDBM50326770
PNG
(4-isobutyl-5-methylene-2-oxo-1-(2,4,5-trichlorophe...)
Show SMILES CC(C)CC1=C(C#N)C(=O)N(C1=C)c1cc(Cl)c(Cl)cc1Cl
Show InChI InChI=1S/C16H13Cl3N2O/c1-8(2)4-10-9(3)21(16(22)11(10)7-20)15-6-13(18)12(17)5-14(15)19/h5-6,8H,3-4H2,1-2H3
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n/an/a 5.50E+3n/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem 18: 5647-60 (2010)


Article DOI: 10.1016/j.bmc.2010.06.020
BindingDB Entry DOI: 10.7270/Q2MK6D43
More data for this
Ligand-Target Pair
Ecdysone receptor


(Lucilia cuprina)
BDBM50326777
PNG
((2beta,3beta,5beta,22R)-2,3,14,20,22,25-hexahydrox...)
Show SMILES CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem 18: 5647-60 (2010)


Article DOI: 10.1016/j.bmc.2010.06.020
BindingDB Entry DOI: 10.7270/Q2MK6D43
More data for this
Ligand-Target Pair
Ecdysone receptor


(Lucilia cuprina)
BDBM50326755
PNG
(1-(2,5-di-tert-butylphenyl)-4-methyl-5-methylene-2...)
Show SMILES CC1=C(C#N)C(=O)N(C1=C)c1cc(ccc1C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C21H26N2O/c1-13-14(2)23(19(24)16(13)12-22)18-11-15(20(3,4)5)9-10-17(18)21(6,7)8/h9-11H,2H2,1,3-8H3
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n/an/a 6.50E+3n/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem 18: 5647-60 (2010)


Article DOI: 10.1016/j.bmc.2010.06.020
BindingDB Entry DOI: 10.7270/Q2MK6D43
More data for this
Ligand-Target Pair
Ecdysone receptor


(Lucilia cuprina)
BDBM50326760
PNG
(4-ethyl-5-methylene-2-oxo-1-(2,4,5-trichlorophenyl...)
Show SMILES CCC1=C(C#N)C(=O)N(C1=C)c1cc(Cl)c(Cl)cc1Cl
Show InChI InChI=1S/C14H9Cl3N2O/c1-3-8-7(2)19(14(20)9(8)6-18)13-5-11(16)10(15)4-12(13)17/h4-5H,2-3H2,1H3
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n/an/a 7.25E+3n/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem 18: 5647-60 (2010)


Article DOI: 10.1016/j.bmc.2010.06.020
BindingDB Entry DOI: 10.7270/Q2MK6D43
More data for this
Ligand-Target Pair
Ecdysone receptor


(Lucilia cuprina)
BDBM50326765
PNG
(4-butyl-1-(3-chloro-2-methylphenyl)-5-methylene-2-...)
Show SMILES CCCCC1=C(C#N)C(=O)N(C1=C)c1cccc(Cl)c1C
Show InChI InChI=1S/C17H17ClN2O/c1-4-5-7-13-12(3)20(17(21)14(13)10-19)16-9-6-8-15(18)11(16)2/h6,8-9H,3-5,7H2,1-2H3
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n/an/a 8.30E+3n/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem 18: 5647-60 (2010)


Article DOI: 10.1016/j.bmc.2010.06.020
BindingDB Entry DOI: 10.7270/Q2MK6D43
More data for this
Ligand-Target Pair
Ecdysone receptor


(Lucilia cuprina)
BDBM50326758
PNG
(1-(4-tert-butyl-2,5-dichlorophenyl)-4-methyl-5-met...)
Show SMILES CC1=C(C#N)C(=O)N(C1=C)c1cc(Cl)c(cc1Cl)C(C)(C)C
Show InChI InChI=1S/C17H16Cl2N2O/c1-9-10(2)21(16(22)11(9)8-20)15-7-13(18)12(6-14(15)19)17(3,4)5/h6-7H,2H2,1,3-5H3
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n/an/a 8.50E+3n/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem 18: 5647-60 (2010)


Article DOI: 10.1016/j.bmc.2010.06.020
BindingDB Entry DOI: 10.7270/Q2MK6D43
More data for this
Ligand-Target Pair
Ecdysone receptor


(Lucilia cuprina)
BDBM50326759
PNG
(1-(2-tert-butyl-5-chlorophenyl)-4-ethyl-5-methylen...)
Show SMILES CCC1=C(C#N)C(=O)N(C1=C)c1cc(Cl)ccc1C(C)(C)C
Show InChI InChI=1S/C18H19ClN2O/c1-6-13-11(2)21(17(22)14(13)10-20)16-9-12(19)7-8-15(16)18(3,4)5/h7-9H,2,6H2,1,3-5H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem 18: 5647-60 (2010)


Article DOI: 10.1016/j.bmc.2010.06.020
BindingDB Entry DOI: 10.7270/Q2MK6D43
More data for this
Ligand-Target Pair
Ecdysone receptor


(Lucilia cuprina)
BDBM50326766
PNG
(4-butyl-1-(5-chloro-2-methylphenyl)-5-methylene-2-...)
Show SMILES CCCCC1=C(C#N)C(=O)N(C1=C)c1cc(Cl)ccc1C
Show InChI InChI=1S/C17H17ClN2O/c1-4-5-6-14-12(3)20(17(21)15(14)10-19)16-9-13(18)8-7-11(16)2/h7-9H,3-6H2,1-2H3
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n/an/a 1.25E+4n/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem 18: 5647-60 (2010)


Article DOI: 10.1016/j.bmc.2010.06.020
BindingDB Entry DOI: 10.7270/Q2MK6D43
More data for this
Ligand-Target Pair
Ecdysone receptor


(Lucilia cuprina)
BDBM50326773
PNG
(1-cyclohexyl-5-methylene-2-oxo-4-phenyl-2,5-dihydr...)
Show SMILES C=C1N(C2CCCCC2)C(=O)C(C#N)=C1c1ccccc1
Show InChI InChI=1S/C18H18N2O/c1-13-17(14-8-4-2-5-9-14)16(12-19)18(21)20(13)15-10-6-3-7-11-15/h2,4-5,8-9,15H,1,3,6-7,10-11H2
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n/an/a 1.25E+4n/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem 18: 5647-60 (2010)


Article DOI: 10.1016/j.bmc.2010.06.020
BindingDB Entry DOI: 10.7270/Q2MK6D43
More data for this
Ligand-Target Pair
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