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Compile Data Set for Download or QSAR

Found 88 hits with Last Name = 'liang' and Initial = 'sx'   
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
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50073686
PNG
(CHEMBL423029 | [2-(5-tert-Butyl-1H-indol-3-yl)-eth...)
Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)C(C)(C)C
Show InChI InChI=1S/C16H24N2/c1-16(2,3)13-6-7-15-14(10-13)12(11-17-15)8-9-18(4)5/h6-7,10-11,17H,8-9H2,1-5H3
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0.440n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50073688
PNG
(CHEMBL357034 | [2-(5-tert-Butyl-1H-indol-3-yl)-eth...)
Show SMILES CNCCc1c[nH]c2ccc(cc12)C(C)(C)C
Show InChI InChI=1S/C15H22N2/c1-15(2,3)12-5-6-14-13(9-12)11(10-17-14)7-8-16-4/h5-6,9-10,16-17H,7-8H2,1-4H3
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0.450n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50073684
PNG
(2-(5-tert-Butyl-1H-indol-3-yl)-ethylamine | CHEMBL...)
Show SMILES CC(C)(C)c1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C14H20N2/c1-14(2,3)11-4-5-13-12(8-11)10(6-7-15)9-16-13/h4-5,8-9,16H,6-7,15H2,1-3H3
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0.600n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50073687
PNG
(2-(5-Isopropyl-1H-indol-3-yl)-ethylamine | CHEMBL1...)
Show SMILES CC(C)c1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C13H18N2/c1-9(2)10-3-4-13-12(7-10)11(5-6-14)8-15-13/h3-4,7-9,15H,5-6,14H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50073681
PNG
(2-(5-Cyclopentyl-1H-indol-3-yl)-ethylamine | CHEMB...)
Show SMILES NCCc1c[nH]c2ccc(cc12)C1CCCC1
Show InChI InChI=1S/C15H20N2/c16-8-7-13-10-17-15-6-5-12(9-14(13)15)11-3-1-2-4-11/h5-6,9-11,17H,1-4,7-8,16H2
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1.70n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50073688
PNG
(CHEMBL357034 | [2-(5-tert-Butyl-1H-indol-3-yl)-eth...)
Show SMILES CNCCc1c[nH]c2ccc(cc12)C(C)(C)C
Show InChI InChI=1S/C15H22N2/c1-15(2,3)12-5-6-14-13(9-12)11(10-17-14)7-8-16-4/h5-6,9-10,16-17H,7-8H2,1-4H3
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1.90n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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2n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50130461
PNG
(4-Fluoro-N-[3-(1-methyl-4-piperidinyl)-1H-indol-5-...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C21H22FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12-14,23H,8-11H2,1H3,(H,24,26)
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2.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay


Bioorg Med Chem Lett 25: 4337-41 (2015)


BindingDB Entry DOI: 10.7270/Q2NC630T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50073682
PNG
(CHEMBL1278 | N-methyl-2-(3-(1-methylpiperiden-4-yl...)
Show SMILES CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
Show InChI InChI=1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3
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2.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50073682
PNG
(CHEMBL1278 | N-methyl-2-(3-(1-methylpiperiden-4-yl...)
Show SMILES CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
Show InChI InChI=1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3
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3.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50073690
PNG
(2-(5-Cyclohexyl-1H-indol-3-yl)-ethylamine | CHEMBL...)
Show SMILES NCCc1c[nH]c2ccc(cc12)C1CCCCC1
Show InChI InChI=1S/C16H22N2/c17-9-8-14-11-18-16-7-6-13(10-15(14)16)12-4-2-1-3-5-12/h6-7,10-12,18H,1-5,8-9,17H2
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3.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50049086
PNG
(2-(5-Ethyl-1H-indol-3-yl)-ethylamine | CHEMBL10751...)
Show SMILES CCc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C12H16N2/c1-2-9-3-4-12-11(7-9)10(5-6-13)8-14-12/h3-4,7-8,14H,2,5-6,13H2,1H3
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3.70n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50033437
PNG
(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Show SMILES CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12
Show InChI InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3
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4.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50073689
PNG
((R)-6-Methylamino-6,7,8,9-tetrahydro-5H-carbazole-...)
Show SMILES CN[C@@H]1CCc2[nH]c3ccc(cc3c2C1)C(N)=O
Show InChI InChI=1S/C14H17N3O/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18)/t9-/m1/s1
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4.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50005835
PNG
((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...)
Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3
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4.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50119543
PNG
(CHEMBL3617549)
Show SMILES CN1CCC(CC1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C20H21FN2O2/c1-23-11-9-14(10-12-23)19(24)16-3-2-4-18(13-16)22-20(25)15-5-7-17(21)8-6-15/h2-8,13-14H,9-12H2,1H3,(H,22,25)
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5.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay


Bioorg Med Chem Lett 25: 4337-41 (2015)


BindingDB Entry DOI: 10.7270/Q2NC630T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50073688
PNG
(CHEMBL357034 | [2-(5-tert-Butyl-1H-indol-3-yl)-eth...)
Show SMILES CNCCc1c[nH]c2ccc(cc12)C(C)(C)C
Show InChI InChI=1S/C15H22N2/c1-15(2,3)12-5-6-14-13(9-12)11(10-17-14)7-8-16-4/h5-6,9-10,16-17H,7-8H2,1-4H3
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6.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1A receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50073685
PNG
(CHEMBL147454 | [2-(5-tert-Butyl-1H-indol-3-yl)-eth...)
Show SMILES CCCNCCc1c[nH]c2ccc(cc12)C(C)(C)C
Show InChI InChI=1S/C17H26N2/c1-5-9-18-10-8-13-12-19-16-7-6-14(11-15(13)16)17(2,3)4/h6-7,11-12,18-19H,5,8-10H2,1-4H3
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6.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50073691
PNG
(2-(5-Methyl-1H-indol-3-yl)-ethylamine | 5-Methyl-t...)
Show SMILES Cc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2/c1-8-2-3-11-10(6-8)9(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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6.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50119542
PNG
(CHEMBL3617550)
Show SMILES CN1CCC(CC1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1F
Show InChI InChI=1S/C20H20F2N2O2/c1-24-11-9-13(10-12-24)19(25)16-3-2-4-17(18(16)22)23-20(26)14-5-7-15(21)8-6-14/h2-8,13H,9-12H2,1H3,(H,23,26)
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8.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay


Bioorg Med Chem Lett 25: 4337-41 (2015)


BindingDB Entry DOI: 10.7270/Q2NC630T
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50119532
PNG
(CHEMBL3617557)
Show SMILES CN1CCC(CC1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)n1
Show InChI InChI=1S/C19H20FN3O2/c1-23-11-9-13(10-12-23)18(24)16-3-2-4-17(21-16)22-19(25)14-5-7-15(20)8-6-14/h2-8,13H,9-12H2,1H3,(H,21,22,25)
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9.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay


Bioorg Med Chem Lett 25: 4337-41 (2015)


BindingDB Entry DOI: 10.7270/Q2NC630T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50005835
PNG
((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...)
Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3
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9.60n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50033437
PNG
(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Show SMILES CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12
Show InChI InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3
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10.1n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50073689
PNG
((R)-6-Methylamino-6,7,8,9-tetrahydro-5H-carbazole-...)
Show SMILES CN[C@@H]1CCc2[nH]c3ccc(cc3c2C1)C(N)=O
Show InChI InChI=1S/C14H17N3O/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18)/t9-/m1/s1
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10.3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50073683
PNG
(CHEMBL343025 | [2-(5-tert-Butyl-1H-indol-3-yl)-eth...)
Show SMILES CCCN(CCC)CCc1c[nH]c2ccc(cc12)C(C)(C)C
Show InChI InChI=1S/C20H32N2/c1-6-11-22(12-7-2)13-10-16-15-21-19-9-8-17(14-18(16)19)20(3,4)5/h8-9,14-15,21H,6-7,10-13H2,1-5H3
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10.8n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50130461
PNG
(4-Fluoro-N-[3-(1-methyl-4-piperidinyl)-1H-indol-5-...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C21H22FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12-14,23H,8-11H2,1H3,(H,24,26)
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22n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor (unknown origin)


Bioorg Med Chem Lett 25: 4337-41 (2015)


BindingDB Entry DOI: 10.7270/Q2NC630T
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50119540
PNG
(CHEMBL3617552)
Show SMILES CN1CCC(CC1)C(=O)c1cc(F)cc(NC(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C20H20F2N2O2/c1-24-8-6-13(7-9-24)19(25)15-10-17(22)12-18(11-15)23-20(26)14-2-4-16(21)5-3-14/h2-5,10-13H,6-9H2,1H3,(H,23,26)
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41n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay


Bioorg Med Chem Lett 25: 4337-41 (2015)


BindingDB Entry DOI: 10.7270/Q2NC630T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50073682
PNG
(CHEMBL1278 | N-methyl-2-(3-(1-methylpiperiden-4-yl...)
Show SMILES CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
Show InChI InChI=1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3
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45n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1A receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50073689
PNG
((R)-6-Methylamino-6,7,8,9-tetrahydro-5H-carbazole-...)
Show SMILES CN[C@@H]1CCc2[nH]c3ccc(cc3c2C1)C(N)=O
Show InChI InChI=1S/C14H17N3O/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18)/t9-/m1/s1
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62n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1A receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50033437
PNG
(CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...)
Show SMILES CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12
Show InChI InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3
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140n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1A receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50005835
PNG
((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...)
Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3
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230n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1A receptor


J Med Chem 42: 526-31 (1999)


Article DOI: 10.1021/jm9805945
BindingDB Entry DOI: 10.7270/Q2668CBM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50119539
PNG
(CHEMBL3617553)
Show SMILES CN1CCC(CC1)C(=O)c1ccc(F)c(NC(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C20H20F2N2O2/c1-24-10-8-13(9-11-24)19(25)15-4-7-17(22)18(12-15)23-20(26)14-2-5-16(21)6-3-14/h2-7,12-13H,8-11H2,1H3,(H,23,26)
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530n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay


Bioorg Med Chem Lett 25: 4337-41 (2015)


BindingDB Entry DOI: 10.7270/Q2NC630T
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50119535
PNG
(CHEMBL3616488)
Show SMILES COc1c(NC(=O)c2ccc(F)cc2)cccc1C(=O)C1CCN(C)CC1
Show InChI InChI=1S/C21H23FN2O3/c1-24-12-10-14(11-13-24)19(25)17-4-3-5-18(20(17)27-2)23-21(26)15-6-8-16(22)9-7-15/h3-9,14H,10-13H2,1-2H3,(H,23,26)
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610n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay


Bioorg Med Chem Lett 25: 4337-41 (2015)


BindingDB Entry DOI: 10.7270/Q2NC630T
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50119537
PNG
(CHEMBL3617555)
Show SMILES CN1CCC(CC1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1C
Show InChI InChI=1S/C21H23FN2O2/c1-14-18(20(25)15-10-12-24(2)13-11-15)4-3-5-19(14)23-21(26)16-6-8-17(22)9-7-16/h3-9,15H,10-13H2,1-2H3,(H,23,26)
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870n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay


Bioorg Med Chem Lett 25: 4337-41 (2015)


BindingDB Entry DOI: 10.7270/Q2NC630T
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50119533
PNG
(CHEMBL3617556)
Show SMILES CN1CCC(CC1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1O
Show InChI InChI=1S/C20H21FN2O3/c1-23-11-9-13(10-12-23)18(24)16-3-2-4-17(19(16)25)22-20(26)14-5-7-15(21)8-6-14/h2-8,13,25H,9-12H2,1H3,(H,22,26)
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1.10E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay


Bioorg Med Chem Lett 25: 4337-41 (2015)


BindingDB Entry DOI: 10.7270/Q2NC630T
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50119541
PNG
(CHEMBL3617551)
Show SMILES CN1CCC(CC1)C(=O)c1cc(NC(=O)c2ccc(F)cc2)ccc1F
Show InChI InChI=1S/C20H20F2N2O2/c1-24-10-8-13(9-11-24)19(25)17-12-16(6-7-18(17)22)23-20(26)14-2-4-15(21)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,23,26)
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1.30E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay


Bioorg Med Chem Lett 25: 4337-41 (2015)


BindingDB Entry DOI: 10.7270/Q2NC630T
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50119538
PNG
(CHEMBL3617554)
Show SMILES CN1CCC(CC1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1Cl
Show InChI InChI=1S/C20H20ClFN2O2/c1-24-11-9-13(10-12-24)19(25)16-3-2-4-17(18(16)21)23-20(26)14-5-7-15(22)8-6-14/h2-8,13H,9-12H2,1H3,(H,23,26)
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1.70E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay


Bioorg Med Chem Lett 25: 4337-41 (2015)


BindingDB Entry DOI: 10.7270/Q2NC630T
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50119530
PNG
(CHEMBL3617560)
Show SMILES CN1CCC(CC1)C(=O)c1ccnc(NC(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C19H20FN3O2/c1-23-10-7-13(8-11-23)18(24)15-6-9-21-17(12-15)22-19(25)14-2-4-16(20)5-3-14/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,21,22,25)
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2.40E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay


Bioorg Med Chem Lett 25: 4337-41 (2015)


BindingDB Entry DOI: 10.7270/Q2NC630T
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50119531
PNG
(CHEMBL3617559)
Show SMILES CN1CCC(CC1)C(=O)c1cncc(NC(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C19H20FN3O2/c1-23-8-6-13(7-9-23)18(24)15-10-17(12-21-11-15)22-19(25)14-2-4-16(20)5-3-14/h2-5,10-13H,6-9H2,1H3,(H,22,25)
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3.20E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay


Bioorg Med Chem Lett 25: 4337-41 (2015)


BindingDB Entry DOI: 10.7270/Q2NC630T
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209545
PNG
(2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluoro-qu...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(NC(Cc2cccnc2)C(O)=O)c1C#N |w:26.28|
Show InChI InChI=1S/C32H25FN4O3/c1-2-40-29-8-4-3-7-24(29)21-9-11-22(12-10-21)30-26(18-34)31(25-17-23(33)13-14-27(25)36-30)37-28(32(38)39)16-20-6-5-15-35-19-20/h3-15,17,19,28H,2,16H2,1H3,(H,36,37)(H,38,39)
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n/an/a 0.300n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209538
PNG
(1-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluoro-qu...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(NC2(CC2)C(O)=O)c1C#N
Show InChI InChI=1S/C28H22FN3O3/c1-2-35-24-6-4-3-5-20(24)17-7-9-18(10-8-17)25-22(16-30)26(32-28(13-14-28)27(33)34)21-15-19(29)11-12-23(21)31-25/h3-12,15H,2,13-14H2,1H3,(H,31,32)(H,33,34)
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n/an/a 1n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209522
PNG
((S)-2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluor...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(N[C@@H](Cc2ccccc2)C(O)=O)c1C#N
Show InChI InChI=1S/C33H26FN3O3/c1-2-40-30-11-7-6-10-25(30)22-12-14-23(15-13-22)31-27(20-35)32(26-19-24(34)16-17-28(26)36-31)37-29(33(38)39)18-21-8-4-3-5-9-21/h3-17,19,29H,2,18H2,1H3,(H,36,37)(H,38,39)/t29-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209526
PNG
(3-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluoro-qu...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(NCCC(O)=O)c1C#N
Show InChI InChI=1S/C27H22FN3O3/c1-2-34-24-6-4-3-5-20(24)17-7-9-18(10-8-17)26-22(16-29)27(30-14-13-25(32)33)21-15-19(28)11-12-23(21)31-26/h3-12,15H,2,13-14H2,1H3,(H,30,31)(H,32,33)
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209543
PNG
((R)-2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-quinoli...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccccc2c(N[C@H](C)C(O)=O)c1C#N
Show InChI InChI=1S/C27H23N3O3/c1-3-33-24-11-7-5-8-20(24)18-12-14-19(15-13-18)25-22(16-28)26(29-17(2)27(31)32)21-9-4-6-10-23(21)30-25/h4-15,17H,3H2,1-2H3,(H,29,30)(H,31,32)/t17-/m1/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209547
PNG
(2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluoro-qu...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(NC(CC(F)(F)F)C(O)=O)c1C#N |w:26.28|
Show InChI InChI=1S/C28H21F4N3O3/c1-2-38-24-6-4-3-5-19(24)16-7-9-17(10-8-16)25-21(15-33)26(20-13-18(29)11-12-22(20)34-25)35-23(27(36)37)14-28(30,31)32/h3-13,23H,2,14H2,1H3,(H,34,35)(H,36,37)
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209525
PNG
((R)-2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-metho...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(OC)cc2c(N[C@H](C)C(O)=O)c1C#N
Show InChI InChI=1S/C28H25N3O4/c1-4-35-25-8-6-5-7-21(25)18-9-11-19(12-10-18)26-23(16-29)27(30-17(2)28(32)33)22-15-20(34-3)13-14-24(22)31-26/h5-15,17H,4H2,1-3H3,(H,30,31)(H,32,33)/t17-/m1/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209539
PNG
(2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluoro-qu...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(NC(Cc2ccccc2)C(O)=O)c1C#N |w:26.28|
Show InChI InChI=1S/C33H26FN3O3/c1-2-40-30-11-7-6-10-25(30)22-12-14-23(15-13-22)31-27(20-35)32(26-19-24(34)16-17-28(26)36-31)37-29(33(38)39)18-21-8-4-3-5-9-21/h3-17,19,29H,2,18H2,1H3,(H,36,37)(H,38,39)
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209536
PNG
(4-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluoro-qu...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(NCCCC(O)=O)c1C#N
Show InChI InChI=1S/C28H24FN3O3/c1-2-35-25-7-4-3-6-21(25)18-9-11-19(12-10-18)27-23(17-30)28(31-15-5-8-26(33)34)22-16-20(29)13-14-24(22)32-27/h3-4,6-7,9-14,16H,2,5,8,15H2,1H3,(H,31,32)(H,33,34)
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209512
PNG
((S)-2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluor...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(N[C@@H](C)C(O)=O)c1C#N
Show InChI InChI=1S/C27H22FN3O3/c1-3-34-24-7-5-4-6-20(24)17-8-10-18(11-9-17)25-22(15-29)26(30-16(2)27(32)33)21-14-19(28)12-13-23(21)31-25/h4-14,16H,3H2,1-2H3,(H,30,31)(H,32,33)/t16-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209519
PNG
(4-[3-cyano-2-(2'-ethoxy-3-fluoro-biphenyl-4-yl)-6-...)
Show SMILES CCOc1ccccc1-c1ccc(c(F)c1)-c1nc2ccc(F)cc2c(NCCCC(O)=O)c1C#N
Show InChI InChI=1S/C28H23F2N3O3/c1-2-36-25-7-4-3-6-19(25)17-9-11-20(23(30)14-17)28-22(16-31)27(32-13-5-8-26(34)35)21-15-18(29)10-12-24(21)33-28/h3-4,6-7,9-12,14-15H,2,5,8,13H2,1H3,(H,32,33)(H,34,35)
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
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