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Compile Data Set for Download or QSAR

Found 44 hits with Last Name = 'autin' and Initial = 'jm'   
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 1A


(Rattus norvegicus (rat))
BDBM50476730
PNG
(CHEMBL231471)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCc2nccc(n2)-c2ccco2)CC1
Show InChI InChI=1S/C22H21ClF2N4O2/c23-16-12-15(3-4-17(16)24)21(30)29-9-6-22(25,7-10-29)14-26-13-20-27-8-5-18(28-20)19-2-1-11-31-19/h1-5,8,11-12,26H,6-7,9-10,13-14H2
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0.427n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor in rat cortex membrane


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50476729
PNG
(CHEMBL425833)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCc2ccc(Cl)cn2)CC1
Show InChI InChI=1S/C19H19Cl2F2N3O/c20-14-2-3-15(25-10-14)11-24-12-19(23)5-7-26(8-6-19)18(27)13-1-4-17(22)16(21)9-13/h1-4,9-10,24H,5-8,11-12H2
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0.692n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor in rat cortex membrane


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50476740
PNG
(CHEMBL396062)
Show SMILES CNc1nc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)ncc1Cl
Show InChI InChI=1S/C19H21Cl2F2N5O/c1-24-17-14(21)9-26-16(27-17)10-25-11-19(23)4-6-28(7-5-19)18(29)12-2-3-15(22)13(20)8-12/h2-3,8-9,25H,4-7,10-11H2,1H3,(H,24,26,27)
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0.741n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor in rat cortex membrane


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50328639
PNG
((3-Chloro-4-fluoro-phenyl)-(4-fluoro-4-{[(5-methyl...)
Show SMILES Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
Show InChI InChI=1S/C20H22ClF2N3O/c1-14-2-4-16(25-11-14)12-24-13-20(23)6-8-26(9-7-20)19(27)15-3-5-18(22)17(21)10-15/h2-5,10-11,24H,6-9,12-13H2,1H3
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0.851n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor in rat cortex membrane


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50476727
PNG
(CHEMBL394530)
Show SMILES FCc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
Show InChI InChI=1S/C20H21ClF3N3O/c21-17-9-15(2-4-18(17)23)19(28)27-7-5-20(24,6-8-27)13-25-12-16-3-1-14(10-22)11-26-16/h1-4,9,11,25H,5-8,10,12-13H2
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1.20n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor in rat cortex membrane


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor in rat cortex membrane


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50476732
PNG
(CHEMBL394606)
Show SMILES CNc1nc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)ncc1C
Show InChI InChI=1S/C20H24ClF2N5O/c1-13-10-26-17(27-18(13)24-2)11-25-12-20(23)5-7-28(8-6-20)19(29)14-3-4-16(22)15(21)9-14/h3-4,9-10,25H,5-8,11-12H2,1-2H3,(H,24,26,27)
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1.70n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor in rat cortex membrane


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
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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1.90n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor in rat cortex membrane


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50476734
PNG
(CHEMBL230963)
Show SMILES Cc1cnc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
Show InChI InChI=1S/C19H21ClF2N4O/c1-13-9-24-17(25-10-13)11-23-12-19(22)4-6-26(7-5-19)18(27)14-2-3-16(21)15(20)8-14/h2-3,8-10,23H,4-7,11-12H2,1H3
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2.20n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor in rat cortex membrane


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50476736
PNG
(CHEMBL394778)
Show SMILES CN(C)c1ccnc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)n1
Show InChI InChI=1S/C20H24ClF2N5O/c1-27(2)18-5-8-25-17(26-18)12-24-13-20(23)6-9-28(10-7-20)19(29)14-3-4-16(22)15(21)11-14/h3-5,8,11,24H,6-7,9-10,12-13H2,1-2H3
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2.30n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor in rat cortex membrane


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50476737
PNG
(CHEMBL231273)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCc2ncc(Cl)cn2)CC1
Show InChI InChI=1S/C18H18Cl2F2N4O/c19-13-8-24-16(25-9-13)10-23-11-18(22)3-5-26(6-4-18)17(27)12-1-2-15(21)14(20)7-12/h1-2,7-9,23H,3-6,10-11H2
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3.40n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor in rat cortex membrane


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50476723
PNG
(CHEMBL230327)
Show SMILES FC(F)c1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
Show InChI InChI=1S/C20H20ClF4N3O/c21-16-9-13(2-4-17(16)22)19(29)28-7-5-20(25,6-8-28)12-26-11-15-3-1-14(10-27-15)18(23)24/h1-4,9-10,18,26H,5-8,11-12H2
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3.80n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor in rat cortex membrane


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50476720
PNG
(CHEMBL231373)
Show SMILES CNc1ccnc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)n1
Show InChI InChI=1S/C19H22ClF2N5O/c1-23-16-4-7-25-17(26-16)11-24-12-19(22)5-8-27(9-6-19)18(28)13-2-3-15(21)14(20)10-13/h2-4,7,10,24H,5-6,8-9,11-12H2,1H3,(H,23,25,26)
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4.80n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor in rat cortex membrane


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50476725
PNG
(CHEMBL230961)
Show SMILES Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nn1
Show InChI InChI=1S/C19H21ClF2N4O/c1-13-2-4-15(25-24-13)11-23-12-19(22)6-8-26(9-7-19)18(27)14-3-5-17(21)16(20)10-14/h2-5,10,23H,6-9,11-12H2,1H3
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5.60n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor in rat cortex membrane


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50476739
PNG
(CHEMBL231372)
Show SMILES COc1ccnc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)n1
Show InChI InChI=1S/C19H21ClF2N4O2/c1-28-17-4-7-24-16(25-17)11-23-12-19(22)5-8-26(9-6-19)18(27)13-2-3-15(21)14(20)10-13/h2-4,7,10,23H,5-6,8-9,11-12H2,1H3
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6.5n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor in rat cortex membrane


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50476738
PNG
(CHEMBL230425)
Show SMILES OCc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
Show InChI InChI=1S/C20H22ClF2N3O2/c21-17-9-15(2-4-18(17)22)19(28)26-7-5-20(23,6-8-26)13-24-11-16-3-1-14(12-27)10-25-16/h1-4,9-10,24,27H,5-8,11-13H2
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7.40n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor in rat cortex membrane


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50476735
PNG
(Addyi | BIMT-17 | BIMT-17-BS | Flibanserin)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCn2c3ccccc3[nH]c2=O)CC1
Show InChI InChI=1S/C20H21F3N4O/c21-20(22,23)15-4-3-5-16(14-15)26-11-8-25(9-12-26)10-13-27-18-7-2-1-6-17(18)24-19(27)28/h1-7,14H,8-13H2,(H,24,28)
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12n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor in rat cortex membrane


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50476724
PNG
(CHEMBL231272)
Show SMILES FC(F)c1cnc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
Show InChI InChI=1S/C19H19ClF4N4O/c20-14-7-12(1-2-15(14)21)18(29)28-5-3-19(24,4-6-28)11-25-10-16-26-8-13(9-27-16)17(22)23/h1-2,7-9,17,25H,3-6,10-11H2
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25n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor in rat cortex membrane


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50187377
PNG
(CHEMBL209821 | N-(3-(4-(4-(cyclohexylmethylsulfona...)
Show SMILES CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1
Show InChI InChI=1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28)
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30n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor in rat cortex membrane


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50476731
PNG
(CHEMBL231271)
Show SMILES CCc1cnc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
Show InChI InChI=1S/C20H23ClF2N4O/c1-2-14-10-25-18(26-11-14)12-24-13-20(23)5-7-27(8-6-20)19(28)15-3-4-17(22)16(21)9-15/h3-4,9-11,24H,2,5-8,12-13H2,1H3
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56n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor in rat cortex membrane


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50476733
PNG
(CHEMBL230962)
Show SMILES Cc1cnc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)cn1
Show InChI InChI=1S/C19H21ClF2N4O/c1-13-9-25-15(11-24-13)10-23-12-19(22)4-6-26(7-5-19)18(27)14-2-3-17(21)16(20)8-14/h2-3,8-9,11,23H,4-7,10,12H2,1H3
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66n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor in rat cortex membrane


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50476721
PNG
(CHEMBL231069)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCc2ncccn2)CC1
Show InChI InChI=1S/C18H19ClF2N4O/c19-14-10-13(2-3-15(14)20)17(26)25-8-4-18(21,5-9-25)12-22-11-16-23-6-1-7-24-16/h1-3,6-7,10,22H,4-5,8-9,11-12H2
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95n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor in rat cortex membrane


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50476722
PNG
(CHEMBL231172)
Show SMILES OCc1cnc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
Show InChI InChI=1S/C19H21ClF2N4O2/c20-15-7-14(1-2-16(15)21)18(28)26-5-3-19(22,4-6-26)12-23-10-17-24-8-13(11-27)9-25-17/h1-2,7-9,23,27H,3-6,10-12H2
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117n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor in rat cortex membrane


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50476726
PNG
(CHEMBL231170)
Show SMILES COC(=O)c1cnc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
Show InChI InChI=1S/C20H21ClF2N4O3/c1-30-19(29)14-9-25-17(26-10-14)11-24-12-20(23)4-6-27(7-5-20)18(28)13-2-3-16(22)15(21)8-13/h2-3,8-10,24H,4-7,11-12H2,1H3
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219n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor in rat cortex membrane


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50476728
PNG
(CHEMBL231262)
Show SMILES OC(=O)c1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
Show InChI InChI=1S/C20H20ClF2N3O3/c21-16-9-13(2-4-17(16)22)18(27)26-7-5-20(23,6-8-26)12-24-11-15-3-1-14(10-25-15)19(28)29/h1-4,9-10,24H,5-8,11-12H2,(H,28,29)
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<1.00E+4n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor in rat cortex membrane


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50187377
PNG
(CHEMBL209821 | N-(3-(4-(4-(cyclohexylmethylsulfona...)
Show SMILES CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1
Show InChI InChI=1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28)
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n/an/an/an/a 93n/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in C6 cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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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n/an/an/an/a 229n/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in C6 cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50476740
PNG
(CHEMBL396062)
Show SMILES CNc1nc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)ncc1Cl
Show InChI InChI=1S/C19H21Cl2F2N5O/c1-24-17-14(21)9-26-16(27-17)10-25-11-19(23)4-6-28(7-5-19)18(29)12-2-3-15(22)13(20)8-12/h2-3,8-9,25H,4-7,10-11H2,1H3,(H,24,26,27)
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n/an/an/an/a 43n/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in C6 cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50476732
PNG
(CHEMBL394606)
Show SMILES CNc1nc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)ncc1C
Show InChI InChI=1S/C20H24ClF2N5O/c1-13-10-26-17(27-18(13)24-2)11-25-12-20(23)5-7-28(8-6-20)19(29)14-3-4-16(22)15(21)9-14/h3-4,9-10,25H,5-8,11-12H2,1-2H3,(H,24,26,27)
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n/an/an/an/a 85n/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in C6 cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50476738
PNG
(CHEMBL230425)
Show SMILES OCc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
Show InChI InChI=1S/C20H22ClF2N3O2/c21-17-9-15(2-4-18(17)22)19(28)26-7-5-20(23,6-8-26)13-24-11-16-3-1-14(12-27)10-25-16/h1-4,9-10,24,27H,5-8,11-13H2
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n/an/an/an/a 2.04E+3n/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in C6 cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50476739
PNG
(CHEMBL231372)
Show SMILES COc1ccnc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)n1
Show InChI InChI=1S/C19H21ClF2N4O2/c1-28-17-4-7-24-16(25-17)11-23-12-19(22)5-8-26(9-6-19)18(27)13-2-3-15(21)14(20)10-13/h2-4,7,10,23H,5-6,8-9,11-12H2,1H3
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n/an/an/an/a 447n/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in C6 cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50476730
PNG
(CHEMBL231471)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCc2nccc(n2)-c2ccco2)CC1
Show InChI InChI=1S/C22H21ClF2N4O2/c23-16-12-15(3-4-17(16)24)21(30)29-9-6-22(25,7-10-29)14-26-13-20-27-8-5-18(28-20)19-2-1-11-31-19/h1-5,8,11-12,26H,6-7,9-10,13-14H2
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n/an/an/an/a 10n/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in C6 cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50476737
PNG
(CHEMBL231273)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCc2ncc(Cl)cn2)CC1
Show InChI InChI=1S/C18H18Cl2F2N4O/c19-13-8-24-16(25-9-13)10-23-11-18(22)3-5-26(6-4-18)17(27)12-1-2-15(21)14(20)7-12/h1-2,7-9,23H,3-6,10-11H2
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n/an/an/an/a 155n/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in C6 cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50476736
PNG
(CHEMBL394778)
Show SMILES CN(C)c1ccnc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)n1
Show InChI InChI=1S/C20H24ClF2N5O/c1-27(2)18-5-8-25-17(26-18)12-24-13-20(23)6-9-28(10-7-20)19(29)14-3-4-16(22)15(21)11-14/h3-5,8,11,24H,6-7,9-10,12-13H2,1-2H3
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n/an/an/an/a 89n/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in C6 cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50476734
PNG
(CHEMBL230963)
Show SMILES Cc1cnc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
Show InChI InChI=1S/C19H21ClF2N4O/c1-13-9-24-17(25-10-13)11-23-12-19(22)4-6-26(7-5-19)18(27)14-2-3-16(21)15(20)8-14/h2-3,8-10,23H,4-7,11-12H2,1H3
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n/an/an/an/a 389n/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in C6 cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50476735
PNG
(Addyi | BIMT-17 | BIMT-17-BS | Flibanserin)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCn2c3ccccc3[nH]c2=O)CC1
Show InChI InChI=1S/C20H21F3N4O/c21-20(22,23)15-4-3-5-16(14-15)26-11-8-25(9-12-26)10-13-27-18-7-2-1-6-17(18)24-19(27)28/h1-7,14H,8-13H2,(H,24,28)
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n/an/an/an/a 631n/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in C6 cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50476724
PNG
(CHEMBL231272)
Show SMILES FC(F)c1cnc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
Show InChI InChI=1S/C19H19ClF4N4O/c20-14-7-12(1-2-15(14)21)18(29)28-5-3-19(24,4-6-28)11-25-10-16-26-8-13(9-27-16)17(22)23/h1-2,7-9,17,25H,3-6,10-11H2
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n/an/an/an/a 3.63E+3n/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in C6 cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50476720
PNG
(CHEMBL231373)
Show SMILES CNc1ccnc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)n1
Show InChI InChI=1S/C19H22ClF2N5O/c1-23-16-4-7-25-17(26-16)11-24-12-19(22)5-8-27(9-6-19)18(28)13-2-3-15(21)14(20)10-13/h2-4,7,10,24H,5-6,8-9,11-12H2,1H3,(H,23,25,26)
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n/an/an/an/a 309n/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in C6 cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50476723
PNG
(CHEMBL230327)
Show SMILES FC(F)c1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
Show InChI InChI=1S/C20H20ClF4N3O/c21-16-9-13(2-4-17(16)22)19(29)28-7-5-20(25,6-8-28)12-26-11-15-3-1-14(10-27-15)18(23)24/h1-4,9-10,18,26H,5-8,11-12H2
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n/an/an/an/a 240n/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in C6 cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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n/an/an/an/a 32n/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in C6 cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50476725
PNG
(CHEMBL230961)
Show SMILES Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nn1
Show InChI InChI=1S/C19H21ClF2N4O/c1-13-2-4-15(25-24-13)11-23-12-19(22)6-8-26(9-7-19)18(27)14-3-5-17(21)16(20)10-14/h2-5,10,23H,6-9,11-12H2,1H3
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n/an/an/an/a 7.94E+3n/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in C6 cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50476729
PNG
(CHEMBL425833)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCc2ccc(Cl)cn2)CC1
Show InChI InChI=1S/C19H19Cl2F2N3O/c20-14-2-3-15(25-10-14)11-24-12-19(23)5-7-26(8-6-19)18(27)13-1-4-17(22)16(21)9-13/h1-4,9-10,24H,5-8,11-12H2
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n/an/an/an/a 69n/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in C6 cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50328639
PNG
((3-Chloro-4-fluoro-phenyl)-(4-fluoro-4-{[(5-methyl...)
Show SMILES Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
Show InChI InChI=1S/C20H22ClF2N3O/c1-14-2-4-16(25-11-14)12-24-13-20(23)6-8-26(9-7-20)19(27)15-3-5-18(22)17(21)10-15/h2-5,10-11,24H,6-9,12-13H2,1H3
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PubMed
n/an/an/an/a 23n/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in C6 cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50476727
PNG
(CHEMBL394530)
Show SMILES FCc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
Show InChI InChI=1S/C20H21ClF3N3O/c21-17-9-15(2-4-18(17)23)19(28)27-7-5-20(24,6-8-27)13-25-12-16-3-1-14(10-22)11-26-16/h1-4,9,11,25H,5-8,10,12-13H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 229n/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in C6 cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair