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Compile Data Set for Download or QSAR

Found 175 hits with Last Name = 'patterson' and Initial = 'ta'   
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
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123058
PNG
(2-(3,5-dichloro-4-(4-hydroxy-3-(piperidin-1-ylsulf...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C20H18Cl2N4O6S/c21-14-8-12(26-20(29)24-18(28)11-23-26)9-15(22)19(14)32-13-4-5-16(27)17(10-13)33(30,31)25-6-2-1-3-7-25/h4-5,8-11,27H,1-3,6-7H2,(H,24,28,29)
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0.0200n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123046
PNG
(2-[4-(4-Hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-...)
Show SMILES CC(C)c1cc(Oc2c(C)cc(cc2C)-n2ncc(=O)[nH]c2=O)ccc1O
Show InChI InChI=1S/C20H21N3O4/c1-11(2)16-9-15(5-6-17(16)24)27-19-12(3)7-14(8-13(19)4)23-20(26)22-18(25)10-21-23/h5-11,24H,1-4H3,(H,22,25,26)
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0.0300n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50123044
PNG
(5-(2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-tri...)
Show SMILES CC1(C)C2CC1C(CC2)NC(=O)c1cc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)ccc1O |THB:9:6:1:4|
Show InChI InChI=1S/C25H24Cl2N4O5/c1-25(2)12-3-5-19(16(25)7-12)29-23(34)15-10-14(4-6-20(15)32)36-22-17(26)8-13(9-18(22)27)31-24(35)30-21(33)11-28-31/h4,6,8-12,16,19,32H,3,5,7H2,1-2H3,(H,29,34)(H,30,33,35)
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0.0400n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123044
PNG
(5-(2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-tri...)
Show SMILES CC1(C)C2CC1C(CC2)NC(=O)c1cc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)ccc1O |THB:9:6:1:4|
Show InChI InChI=1S/C25H24Cl2N4O5/c1-25(2)12-3-5-19(16(25)7-12)29-23(34)15-10-14(4-6-20(15)32)36-22-17(26)8-13(9-18(22)27)31-24(35)30-21(33)11-28-31/h4,6,8-12,16,19,32H,3,5,7H2,1-2H3,(H,29,34)(H,30,33,35)
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0.0600n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123045
PNG
(CHEMBL413699 | N-Cyclohexyl-5-[2,6-dichloro-4-(3,5...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H20Cl2N4O5/c23-16-8-13(28-22(32)27-19(30)11-25-28)9-17(24)20(16)33-14-6-7-18(29)15(10-14)21(31)26-12-4-2-1-3-5-12/h6-12,29H,1-5H2,(H,26,31)(H,27,30,32)
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0.0700n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM18860
PNG
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r|
Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
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0.0800n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123054
PNG
(5-(2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-tri...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C21H14Cl2N4O6S/c22-15-8-13(27-21(30)25-19(29)11-24-27)9-16(23)20(15)33-14-6-7-17(28)18(10-14)34(31,32)26-12-4-2-1-3-5-12/h1-11,26,28H,(H,25,29,30)
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0.100n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123064
PNG
(2-(3-chloro-4-(4-hydroxy-3-(piperidin-1-ylsulfonyl...)
Show SMILES Cc1cc(cc(Cl)c1Oc1ccc(O)c(c1)S(=O)(=O)N1CCCCC1)-n1ncc(=O)[nH]c1=O
Show InChI InChI=1S/C21H21ClN4O6S/c1-13-9-14(26-21(29)24-19(28)12-23-26)10-16(22)20(13)32-15-5-6-17(27)18(11-15)33(30,31)25-7-3-2-4-8-25/h5-6,9-12,27H,2-4,7-8H2,1H3,(H,24,28,29)
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0.130n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50123059
PNG
(2-{4-[3-(2-Aza-bicyclo[2.2.1]heptane-2-carbonyl)-4...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CC2CCC1C2
Show InChI InChI=1S/C22H18Cl2N4O5/c23-16-6-13(28-22(32)26-19(30)9-25-28)7-17(24)20(16)33-14-3-4-18(29)15(8-14)21(31)27-10-11-1-2-12(27)5-11/h3-4,6-9,11-12,29H,1-2,5,10H2,(H,26,30,32)
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0.160n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123063
PNG
(2-{3,5-Dichloro-4-[4-hydroxy-3-(indole-1-sulfonyl)...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1S(=O)(=O)n1ccc2ccccc12
Show InChI InChI=1S/C23H14Cl2N4O6S/c24-16-9-14(29-23(32)27-21(31)12-26-29)10-17(25)22(16)35-15-5-6-19(30)20(11-15)36(33,34)28-8-7-13-3-1-2-4-18(13)28/h1-12,30H,(H,27,31,32)
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0.230n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50123052
PNG
(2-[4-(3-{8-azaspiro[bicyclo[3.2.1]octane-3,2'-oxol...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1S(=O)(=O)N1C2CCC1CC1(CCCO1)C2 |TLB:34:33:27:29.30,THB:24:27:33.38.32:29.30,37:33:27:29.30|
Show InChI InChI=1S/C25H24Cl2N4O7S/c26-18-8-16(30-24(34)29-22(33)13-28-30)9-19(27)23(18)38-17-4-5-20(32)21(10-17)39(35,36)31-14-2-3-15(31)12-25(11-14)6-1-7-37-25/h4-5,8-10,13-15,32H,1-3,6-7,11-12H2,(H,29,33,34)
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0.280n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL




Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123061
PNG
(2-[4-(3-{8-azaspiro[bicyclo[3.2.1]octane-3,2'-[1,3...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1S(=O)(=O)N1C2CCC1CC1(C2)OCCO1 |THB:24:27:33.32.34:29.30|
Show InChI InChI=1S/C24H22Cl2N4O8S/c25-17-7-15(29-23(33)28-21(32)12-27-29)8-18(26)22(17)38-16-3-4-19(31)20(9-16)39(34,35)30-13-1-2-14(30)11-24(10-13)36-5-6-37-24/h3-4,7-9,12-14,31H,1-2,5-6,10-11H2,(H,28,32,33)
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0.310n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50123059
PNG
(2-{4-[3-(2-Aza-bicyclo[2.2.1]heptane-2-carbonyl)-4...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CC2CCC1C2
Show InChI InChI=1S/C22H18Cl2N4O5/c23-16-6-13(28-22(32)26-19(30)9-25-28)7-17(24)20(16)33-14-3-4-18(29)15(8-14)21(31)27-10-11-1-2-12(27)5-11/h3-4,6-9,11-12,29H,1-2,5,10H2,(H,26,30,32)
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0.370n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123057
PNG
(CHEMBL124039 | N-Cyclobutyl-5-[2,6-dichloro-4-(3,5...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1S(=O)(=O)NC1CCC1
Show InChI InChI=1S/C19H16Cl2N4O6S/c20-13-6-11(25-19(28)23-17(27)9-22-25)7-14(21)18(13)31-12-4-5-15(26)16(8-12)32(29,30)24-10-2-1-3-10/h4-10,24,26H,1-3H2,(H,23,27,28)
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0.400n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123056
PNG
(2-(4-(4-hydroxy-3-(piperidin-1-ylsulfonyl)phenoxy)...)
Show SMILES Cc1cc(cc(C)c1Oc1ccc(O)c(c1)S(=O)(=O)N1CCCCC1)-n1ncc(=O)[nH]c1=O
Show InChI InChI=1S/C22H24N4O6S/c1-14-10-16(26-22(29)24-20(28)13-23-26)11-15(2)21(14)32-17-6-7-18(27)19(12-17)33(30,31)25-8-4-3-5-9-25/h6-7,10-13,27H,3-5,8-9H2,1-2H3,(H,24,28,29)
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0.460n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123062
PNG
(CHEMBL340158 | N-Cyclohexyl-5-[2,6-dichloro-4-(3,5...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1S(=O)(=O)NC1CCCCC1
Show InChI InChI=1S/C21H20Cl2N4O6S/c22-15-8-13(27-21(30)25-19(29)11-24-27)9-16(23)20(15)33-14-6-7-17(28)18(10-14)34(31,32)26-12-4-2-1-3-5-12/h6-12,26,28H,1-5H2,(H,25,29,30)
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0.460n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123059
PNG
(2-{4-[3-(2-Aza-bicyclo[2.2.1]heptane-2-carbonyl)-4...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CC2CCC1C2
Show InChI InChI=1S/C22H18Cl2N4O5/c23-16-6-13(28-22(32)26-19(30)9-25-28)7-17(24)20(16)33-14-3-4-18(29)15(8-14)21(31)27-10-11-1-2-12(27)5-11/h3-4,6-9,11-12,29H,1-2,5,10H2,(H,26,30,32)
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0.590n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304826
PNG
((S)-7-(2-chlorophenoxy)-2-((R)-2-methylpiperazin-1...)
Show SMILES C[C@@H]1CNCCN1c1ccc2CC[C@H](Oc3ccccc3Cl)c2n1 |r|
Show InChI InChI=1S/C19H22ClN3O/c1-13-12-21-10-11-23(13)18-9-7-14-6-8-17(19(14)22-18)24-16-5-3-2-4-15(16)20/h2-5,7,9,13,17,21H,6,8,10-12H2,1H3/t13-,17+/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2C receptor expressed in mouse 3T3 cells by scintillation counting


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123049
PNG
(2-(3,5-dichloro-4-(4-hydroxy-3-(piperidine-1-carbo...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CCCCC1
Show InChI InChI=1S/C21H18Cl2N4O5/c22-15-8-12(27-21(31)25-18(29)11-24-27)9-16(23)19(15)32-13-4-5-17(28)14(10-13)20(30)26-6-2-1-3-7-26/h4-5,8-11,28H,1-3,6-7H2,(H,25,29,31)
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0.630n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123050
PNG
(CHEMBL124318 | N-Cyclobutyl-5-[2,6-dichloro-4-(3,5...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)NC1CCC1
Show InChI InChI=1S/C20H16Cl2N4O5/c21-14-6-11(26-20(30)25-17(28)9-23-26)7-15(22)18(14)31-12-4-5-16(27)13(8-12)19(29)24-10-2-1-3-10/h4-10,27H,1-3H2,(H,24,29)(H,25,28,30)
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0.640n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50304802
PNG
((S)-8-(2-chlorophenoxy)-2-(piperazin-1-yl)-5,6,7,8...)
Show SMILES Clc1ccccc1O[C@H]1CCCc2ccc(nc12)N1CCNCC1 |r|
Show InChI InChI=1S/C19H22ClN3O/c20-15-5-1-2-6-16(15)24-17-7-3-4-14-8-9-18(22-19(14)17)23-12-10-21-11-13-23/h1-2,5-6,8-9,17,21H,3-4,7,10-13H2/t17-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from rat 5HT2A receptor expressed in mouse 3T3 cells


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304805
PNG
((S)-7-(2-chlorophenoxy)-2-(piperazin-1-yl)-6,7-dih...)
Show SMILES Clc1ccccc1O[C@H]1CCc2ccc(nc12)N1CCNCC1 |r|
Show InChI InChI=1S/C18H20ClN3O/c19-14-3-1-2-4-15(14)23-16-7-5-13-6-8-17(21-18(13)16)22-11-9-20-10-12-22/h1-4,6,8,16,20H,5,7,9-12H2/t16-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50380913
PNG
(CHEMBL2016732)
Show SMILES CN([C@H]1CC[C@]2(CC1)OC(=O)c1ccccc21)C(=O)Nc1ccn(n1)-c1ccccc1F |r,wU:2.1,5.8,(21.96,-24.15,;21.92,-25.7,;20.56,-26.43,;20.55,-27.97,;19.23,-28.74,;17.89,-27.96,;17.89,-26.43,;19.23,-25.66,;18.05,-29.5,;16.65,-30.12,;16.32,-31.63,;15.62,-28.98,;14.08,-28.97,;13.32,-27.65,;14.08,-26.32,;15.62,-26.31,;16.39,-27.64,;23.23,-26.5,;23.3,-28.04,;24.56,-25.72,;25.85,-26.57,;27.3,-26.02,;28.27,-27.22,;27.42,-28.51,;25.93,-28.1,;28.17,-29.86,;27.38,-31.18,;28.13,-32.53,;29.67,-32.55,;30.46,-31.21,;29.71,-29.87,;30.49,-28.55,)|
Show InChI InChI=1S/C24H23FN4O3/c1-28(23(31)26-21-12-15-29(27-21)20-9-5-4-8-19(20)25)16-10-13-24(14-11-16)18-7-3-2-6-17(18)22(30)32-24/h2-9,12,15-16H,10-11,13-14H2,1H3,(H,26,27,31)/t16-,24+
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0.700n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123055
PNG
(2-(3,5-dichloro-4-(4-hydroxy-3-(morpholine-4-carbo...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CCOCC1
Show InChI InChI=1S/C20H16Cl2N4O6/c21-14-7-11(26-20(30)24-17(28)10-23-26)8-15(22)18(14)32-12-1-2-16(27)13(9-12)19(29)25-3-5-31-6-4-25/h1-2,7-10,27H,3-6H2,(H,24,28,30)
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0.720n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50380915
PNG
(CHEMBL2016682)
Show SMILES CN([C@H]1CC[C@]2(CC1)OC(=O)c1ccncc21)C(=O)Nc1ccn(n1)-c1ccccc1F |r,wU:2.1,5.8,(-.8,-22.44,;-.84,-23.98,;-2.2,-24.72,;-2.2,-26.26,;-3.53,-27.02,;-4.86,-26.25,;-4.87,-24.71,;-3.53,-23.95,;-4.7,-27.78,;-6.11,-28.41,;-6.44,-29.92,;-7.14,-27.26,;-8.67,-27.26,;-9.44,-25.93,;-8.68,-24.6,;-7.14,-24.6,;-6.37,-25.93,;.47,-24.79,;.54,-26.33,;1.8,-24,;3.09,-24.85,;4.54,-24.3,;5.51,-25.51,;4.66,-26.8,;3.17,-26.39,;5.41,-28.14,;4.62,-29.46,;5.37,-30.81,;6.92,-30.83,;7.71,-29.5,;6.95,-28.16,;7.74,-26.83,)|
Show InChI InChI=1S/C23H22FN5O3/c1-28(22(31)26-20-9-13-29(27-20)19-5-3-2-4-18(19)24)15-6-10-23(11-7-15)17-14-25-12-8-16(17)21(30)32-23/h2-5,8-9,12-15H,6-7,10-11H2,1H3,(H,26,27,31)/t15-,23+
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0.800n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304804
PNG
(7-(2-chlorophenoxy)-2-(piperazin-1-yl)-6,7-dihydro...)
Show SMILES Clc1ccccc1OC1CCc2ccc(nc12)N1CCNCC1
Show InChI InChI=1S/C18H20ClN3O/c19-14-3-1-2-4-15(14)23-16-7-5-13-6-8-17(21-18(13)16)22-11-9-20-10-12-22/h1-4,6,8,16,20H,5,7,9-12H2
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0.900n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314613
PNG
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-5-fluoro-2-me...)
Show SMILES COc1cc(OC2CCC(C)(C)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C21H31FN2O3/c1-21(2)8-6-15(7-9-21)27-19-12-18(26-3)14(11-16(19)22)13-24-20(25)17-5-4-10-23-17/h11-12,15,17,23H,4-10,13H2,1-3H3,(H,24,25)/t17-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50380923
PNG
(CHEMBL2016740)
Show SMILES CN([C@H]1CC[C@@]2(CC1)OC(=O)c1ccncc21)C(=O)Nc1cnc(cn1)-c1ccccc1 |r,wU:5.8,wD:2.1,(11.79,-13.56,;11.79,-15.1,;10.46,-15.87,;9.13,-15.1,;7.8,-15.86,;7.79,-17.4,;9.12,-18.18,;10.46,-17.41,;7.87,-18.94,;6.42,-19.49,;6.02,-20.97,;5.45,-18.29,;3.92,-18.2,;3.22,-16.83,;4.06,-15.53,;5.61,-15.62,;6.3,-17,;13.13,-15.87,;13.13,-17.41,;14.46,-15.1,;15.79,-15.87,;17.11,-15.1,;18.45,-15.86,;18.45,-17.41,;17.12,-18.18,;15.79,-17.41,;19.78,-18.17,;19.78,-19.72,;21.11,-20.48,;22.45,-19.71,;22.44,-18.17,;21.11,-17.41,)|
Show InChI InChI=1S/C24H23N5O3/c1-29(23(31)28-21-15-26-20(14-27-21)16-5-3-2-4-6-16)17-7-10-24(11-8-17)19-13-25-12-9-18(19)22(30)32-24/h2-6,9,12-15,17H,7-8,10-11H2,1H3,(H,27,28,31)/t17-,24-
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0.900n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304808
PNG
(4-chloro-2-(piperazin-1-yl)thieno[2,3-d]pyrimidine...)
Show SMILES Clc1nc(nc2sccc12)N1CCNCC1
Show InChI InChI=1S/C10H11ClN4S/c11-8-7-1-6-16-9(7)14-10(13-8)15-4-2-12-3-5-15/h1,6,12H,2-5H2
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1n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50380922
PNG
(CHEMBL2016739)
Show SMILES CN([C@H]1CC[C@]2(CC1)OC(=O)c1ccncc21)C(=O)Nc1cnc(cn1)-c1ccccc1 |r,wU:2.1,5.8,(11.2,-3.59,;11.2,-5.13,;9.87,-5.9,;9.87,-7.44,;8.53,-8.21,;7.19,-7.43,;7.2,-5.9,;8.53,-5.13,;7.27,-8.97,;5.83,-9.52,;5.42,-11.01,;4.86,-8.32,;3.32,-8.23,;2.62,-6.86,;3.47,-5.56,;5.01,-5.65,;5.7,-7.03,;12.53,-5.9,;12.53,-7.44,;13.86,-5.13,;15.2,-5.9,;16.52,-5.13,;17.85,-5.89,;17.86,-7.44,;16.52,-8.21,;15.19,-7.44,;19.19,-8.21,;19.19,-9.75,;20.52,-10.51,;21.85,-9.74,;21.84,-8.2,;20.51,-7.44,)|
Show InChI InChI=1S/C24H23N5O3/c1-29(23(31)28-21-15-26-20(14-27-21)16-5-3-2-4-6-16)17-7-10-24(11-8-17)19-13-25-12-9-18(19)22(30)32-24/h2-6,9,12-15,17H,7-8,10-11H2,1H3,(H,27,28,31)/t17-,24+
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1n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50304805
PNG
((S)-7-(2-chlorophenoxy)-2-(piperazin-1-yl)-6,7-dih...)
Show SMILES Clc1ccccc1O[C@H]1CCc2ccc(nc12)N1CCNCC1 |r|
Show InChI InChI=1S/C18H20ClN3O/c19-14-3-1-2-4-15(14)23-16-7-5-13-6-8-17(21-18(13)16)22-11-9-20-10-12-22/h1-4,6,8,16,20H,5,7,9-12H2/t16-/m0/s1
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1n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from rat 5HT2A receptor expressed in mouse 3T3 cells


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50123737
PNG
(3-{2-[6-(2-tert-Butoxy-ethoxy)-pyridin-3-yl]-3H-im...)
Show SMILES CC(C)(C)OCCOc1ccc(cn1)-c1nc(c[nH]1)-c1cccc(c1)C#N
Show InChI InChI=1S/C21H22N4O2/c1-21(2,3)27-10-9-26-19-8-7-17(13-23-19)20-24-14-18(25-20)16-6-4-5-15(11-16)12-22/h4-8,11,13-14H,9-10H2,1-3H3,(H,24,25)
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1.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound to the human Neuropeptide Y receptor type 5 was determined using [125I]- [PYY] as radioligand


J Med Chem 46: 670-3 (2003)


Article DOI: 10.1021/jm025584p
BindingDB Entry DOI: 10.7270/Q2V987DS
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50123737
PNG
(3-{2-[6-(2-tert-Butoxy-ethoxy)-pyridin-3-yl]-3H-im...)
Show SMILES CC(C)(C)OCCOc1ccc(cn1)-c1nc(c[nH]1)-c1cccc(c1)C#N
Show InChI InChI=1S/C21H22N4O2/c1-21(2,3)27-10-9-26-19-8-7-17(13-23-19)20-24-14-18(25-20)16-6-4-5-15(11-16)12-22/h4-8,11,13-14H,9-10H2,1-3H3,(H,24,25)
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1.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304807
PNG
((S)-7-(5-fluoro-2-methylbenzyloxy)-2-((R)-2-methyl...)
Show SMILES C[C@@H]1CNCCN1c1ccc2CC[C@H](OCc3cc(F)ccc3C)c2n1 |r|
Show InChI InChI=1S/C21H26FN3O/c1-14-3-6-18(22)11-17(14)13-26-19-7-4-16-5-8-20(24-21(16)19)25-10-9-23-12-15(25)2/h3,5-6,8,11,15,19,23H,4,7,9-10,12-13H2,1-2H3/t15-,19+/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304802
PNG
((S)-8-(2-chlorophenoxy)-2-(piperazin-1-yl)-5,6,7,8...)
Show SMILES Clc1ccccc1O[C@H]1CCCc2ccc(nc12)N1CCNCC1 |r|
Show InChI InChI=1S/C19H22ClN3O/c20-15-5-1-2-6-16(15)24-17-7-3-4-14-8-9-18(22-19(14)17)23-12-10-21-11-13-23/h1-2,5-6,8-9,17,21H,3-4,7,10-13H2/t17-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50304300
PNG
(CHEMBL595573 | trans-N-[1-(2-fluorophenyl)-3-pyraz...)
Show SMILES Fc1ccccc1-n1ccc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2ccncc32)n1 |r,wU:17.21,wD:14.14,(16.87,-28.98,;15.54,-29.75,;15.54,-31.28,;14.2,-32.06,;12.87,-31.29,;12.87,-29.75,;14.21,-28.98,;14.21,-27.45,;15.45,-26.55,;14.98,-25.08,;13.44,-25.08,;12.53,-23.84,;10.99,-23.84,;10.22,-22.5,;10.22,-25.17,;8.68,-25.17,;7.91,-26.5,;8.68,-27.83,;10.22,-27.83,;10.99,-26.5,;9.6,-29.09,;8.69,-30.34,;9.16,-31.81,;7.21,-29.86,;5.88,-30.63,;4.55,-29.86,;4.55,-28.32,;5.88,-27.55,;7.21,-28.31,;12.96,-26.54,)|
Show InChI InChI=1S/C22H19FN4O3/c23-17-3-1-2-4-18(17)27-12-8-19(26-27)25-20(28)14-5-9-22(10-6-14)16-13-24-11-7-15(16)21(29)30-22/h1-4,7-8,11-14H,5-6,9-10H2,(H,25,26,28)/t14-,22-
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1.60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
NPY5R


(Rat 6B)
BDBM50123737
PNG
(3-{2-[6-(2-tert-Butoxy-ethoxy)-pyridin-3-yl]-3H-im...)
Show SMILES CC(C)(C)OCCOc1ccc(cn1)-c1nc(c[nH]1)-c1cccc(c1)C#N
Show InChI InChI=1S/C21H22N4O2/c1-21(2,3)27-10-9-26-19-8-7-17(13-23-19)20-24-14-18(25-20)16-6-4-5-15(11-16)12-22/h4-8,11,13-14H,9-10H2,1-3H3,(H,24,25)
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1.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound to the rat Neuropeptide Y receptor type 5 was determined using [125I]- [Leu31,Pro34]PYY as radioligand


J Med Chem 46: 670-3 (2003)


Article DOI: 10.1021/jm025584p
BindingDB Entry DOI: 10.7270/Q2V987DS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314616
PNG
((S)-N-(4-(cyclohexylmethoxy)-5-fluoro-2-methoxyben...)
Show SMILES COc1cc(OCC2CCCCC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C20H29FN2O3/c1-25-18-11-19(26-13-14-6-3-2-4-7-14)16(21)10-15(18)12-23-20(24)17-8-5-9-22-17/h10-11,14,17,22H,2-9,12-13H2,1H3,(H,23,24)/t17-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314614
PNG
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-2,5-difluorob...)
Show SMILES CC1(C)CCC(CC1)Oc1cc(F)c(CNC(=O)[C@@H]2CCCN2)cc1F |r|
Show InChI InChI=1S/C20H28F2N2O2/c1-20(2)7-5-14(6-8-20)26-18-11-15(21)13(10-16(18)22)12-24-19(25)17-4-3-9-23-17/h10-11,14,17,23H,3-9,12H2,1-2H3,(H,24,25)/t17-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123060
PNG
(2-{3-Chloro-4-[4-hydroxy-3-(piperidine-1-carbonyl)...)
Show SMILES Cc1cc(cc(Cl)c1Oc1ccc(O)c(c1)C(=O)N1CCCCC1)-n1ncc(=O)[nH]c1=O
Show InChI InChI=1S/C22H21ClN4O5/c1-13-9-14(27-22(31)25-19(29)12-24-27)10-17(23)20(13)32-15-5-6-18(28)16(11-15)21(30)26-7-3-2-4-8-26/h5-6,9-12,28H,2-4,7-8H2,1H3,(H,25,29,31)
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1.90n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50304803
PNG
((R)-8-(2-chlorophenoxy)-2-(piperazin-1-yl)-5,6,7,8...)
Show SMILES Clc1ccccc1O[C@@H]1CCCc2ccc(nc12)N1CCNCC1 |r|
Show InChI InChI=1S/C19H22ClN3O/c20-15-5-1-2-6-16(15)24-17-7-3-4-14-8-9-18(22-19(14)17)23-12-10-21-11-13-23/h1-2,5-6,8-9,17,21H,3-4,7,10-13H2/t17-/m1/s1
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2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from rat 5HT2A receptor expressed in mouse 3T3 cells


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123053
PNG
(2-[3,5-Dimethyl-4-(3-methyl-4-methylsulfanyl-pheno...)
Show SMILES CSc1ccc(Oc2c(C)cc(cc2C)-n2ncc(=O)[nH]c2=O)cc1C
Show InChI InChI=1S/C19H19N3O3S/c1-11-9-15(5-6-16(11)26-4)25-18-12(2)7-14(8-13(18)3)22-19(24)21-17(23)10-20-22/h5-10H,1-4H3,(H,21,23,24)
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2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50380920
PNG
(CHEMBL2016737)
Show SMILES CN([C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2)C(=O)Nc1ccn(n1)-c1ccccc1F |r,wU:2.1,5.19,(1.18,-5.8,;1.14,-7.34,;-.21,-8.07,;-.22,-9.61,;-1.54,-10.37,;-2.87,-9.6,;-2.88,-8.07,;-1.54,-7.3,;-4.21,-8.83,;-5.53,-9.6,;-6.86,-8.83,;-8.2,-9.59,;-8.2,-11.14,;-6.87,-11.91,;-5.54,-11.15,;-4.2,-11.92,;-4.2,-13.46,;-2.86,-11.14,;2.46,-8.14,;2.52,-9.68,;3.79,-7.36,;5.07,-8.21,;6.52,-7.66,;7.48,-8.86,;6.64,-10.15,;5.15,-9.74,;7.39,-11.49,;6.6,-12.81,;7.35,-14.16,;8.89,-14.18,;9.68,-12.85,;8.92,-11.51,;9.71,-10.18,)|
Show InChI InChI=1S/C25H25FN4O3/c1-29(24(32)27-22-12-15-30(28-22)21-9-5-4-8-20(21)26)18-10-13-25(14-11-18)16-17-6-2-3-7-19(17)23(31)33-25/h2-9,12,15,18H,10-11,13-14,16H2,1H3,(H,27,28,32)/t18-,25+
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2.40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304827
PNG
((S)-7-(3-fluorophenoxy)-2-(piperazin-1-yl)-6,7-dih...)
Show SMILES Fc1cccc(O[C@H]2CCc3ccc(nc23)N2CCNCC2)c1 |r|
Show InChI InChI=1S/C18H20FN3O/c19-14-2-1-3-15(12-14)23-16-6-4-13-5-7-17(21-18(13)16)22-10-8-20-9-11-22/h1-3,5,7,12,16,20H,4,6,8-11H2/t16-/m0/s1
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3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2C receptor expressed in mouse 3T3 cells by scintillation counting


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50304804
PNG
(7-(2-chlorophenoxy)-2-(piperazin-1-yl)-6,7-dihydro...)
Show SMILES Clc1ccccc1OC1CCc2ccc(nc12)N1CCNCC1
Show InChI InChI=1S/C18H20ClN3O/c19-14-3-1-2-4-15(14)23-16-7-5-13-6-8-17(21-18(13)16)22-11-9-20-10-12-22/h1-4,6,8,16,20H,5,7,9-12H2
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3.80n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from rat 5HT2A receptor expressed in mouse 3T3 cells


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304809
PNG
(4-(3-chlorobenzyloxy)-2-(piperazin-1-yl)thieno[2,3...)
Show SMILES Clc1cccc(COc2nc(nc3sccc23)N2CCNCC2)c1
Show InChI InChI=1S/C17H17ClN4OS/c18-13-3-1-2-12(10-13)11-23-15-14-4-9-24-16(14)21-17(20-15)22-7-5-19-6-8-22/h1-4,9-10,19H,5-8,11H2
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4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314618
PNG
(CHEMBL1090397 | N-((4'-chloro-3-fluorobiphenyl-4-y...)
Show SMILES Fc1cc(ccc1CNC(=O)N1CCNCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H19ClFN3O/c19-16-5-3-13(4-6-16)14-1-2-15(17(20)11-14)12-22-18(24)23-9-7-21-8-10-23/h1-6,11,21H,7-10,12H2,(H,22,24)
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4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50304807
PNG
((S)-7-(5-fluoro-2-methylbenzyloxy)-2-((R)-2-methyl...)
Show SMILES C[C@@H]1CNCCN1c1ccc2CC[C@H](OCc3cc(F)ccc3C)c2n1 |r|
Show InChI InChI=1S/C21H26FN3O/c1-14-3-6-18(22)11-17(14)13-26-19-7-4-16-5-8-20(24-21(16)19)25-10-9-23-12-15(25)2/h3,5-6,8,11,15,19,23H,4,7,9-10,12-13H2,1-2H3/t15-,19+/m1/s1
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4.40n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from rat 5HT2A receptor expressed in mouse 3T3 cells


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314623
PNG
((S)-N-(4-cyclohexylbenzyl)pyrrolidine-2-carboxamid...)
Show SMILES O=C(NCc1ccc(cc1)C1CCCCC1)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C18H26N2O/c21-18(17-7-4-12-19-17)20-13-14-8-10-16(11-9-14)15-5-2-1-3-6-15/h8-11,15,17,19H,1-7,12-13H2,(H,20,21)/t17-/m0/s1
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4.40n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50380925
PNG
(CHEMBL2016742)
Show SMILES CN([C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2)C(=O)Nc1cnc(cn1)-c1ccccc1 |r,wU:2.1,5.19,(28.87,3.24,;28.83,1.7,;27.47,.96,;27.47,-.58,;26.14,-1.34,;24.81,-.57,;24.8,.97,;26.14,1.73,;23.47,.2,;22.15,-.57,;20.82,.2,;19.48,-.56,;19.48,-2.11,;20.81,-2.87,;22.14,-2.11,;23.48,-2.88,;23.48,-4.42,;24.82,-2.11,;30.14,.89,;30.21,-.65,;31.47,1.68,;32.81,.92,;34.14,1.69,;35.47,.92,;35.48,-.62,;34.14,-1.4,;32.81,-.62,;36.81,-1.39,;36.81,-2.94,;38.15,-3.71,;39.48,-2.93,;39.47,-1.38,;38.14,-.62,)|
Show InChI InChI=1S/C26H26N4O3/c1-30(25(32)29-23-17-27-22(16-28-23)18-7-3-2-4-8-18)20-11-13-26(14-12-20)15-19-9-5-6-10-21(19)24(31)33-26/h2-10,16-17,20H,11-15H2,1H3,(H,28,29,32)/t20-,26+
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4.60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
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