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Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50010413   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50094670
PNG
(1-(4-Dipropylamino-1,3,4,5-tetrahydro-benzo[cd]ind...)
Show SMILES CCCN(CCC)C1Cc2c[nH]c3ccc(C(C)=O)c(C1)c23
Show InChI InChI=1S/C19H26N2O/c1-4-8-21(9-5-2)15-10-14-12-20-18-7-6-16(13(3)22)17(11-15)19(14)18/h6-7,12,15,20H,4-5,8-11H2,1-3H3
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0.0880n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition constant of 50 microM forskolin-stimulated cAMP accumulation against 5-hydroxytryptamine 1A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50094673
PNG
(CHEMBL342986 | Diethyl-[2-(5-methoxy-1H-indol-3-yl...)
Show SMILES CCN(CC)CCc1c[nH]c2ccc(OC)cc12
Show InChI InChI=1S/C15H22N2O/c1-4-17(5-2)9-8-12-11-16-15-7-6-13(18-3)10-14(12)15/h6-7,10-11,16H,4-5,8-9H2,1-3H3
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1.70n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the binding constant at [3H]-8-OH-DPAT-labeled human 5-hydroxytryptamine 1A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50094677
PNG
(3-(2-Dimethylamino-ethyl)-7-fluoro-1H-indol-4-ol |...)
Show SMILES CN(C)CCc1c[nH]c2c(F)ccc(O)c12
Show InChI InChI=1S/C12H15FN2O/c1-15(2)6-5-8-7-14-12-9(13)3-4-10(16)11(8)12/h3-4,7,14,16H,5-6H2,1-2H3
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5.40n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the binding constant at [125I]-DOI-labeled rat 5-hydroxytryptamine 2C receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50094671
PNG
(3-(2-Dimethylamino-ethyl)-6-fluoro-1H-indol-4-ol |...)
Show SMILES CN(C)CCc1c[nH]c2cc(F)cc(O)c12
Show InChI InChI=1S/C12H15FN2O/c1-15(2)4-3-8-7-14-10-5-9(13)6-11(16)12(8)10/h5-7,14,16H,3-4H2,1-2H3
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7.40n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the binding constant at [125I]-DOI-labeled rat 5-hydroxytryptamine 2C receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50094675
PNG
(3-(2-Diethylamino-ethyl)-1H-indol-4-ol | CHEMBL143...)
Show SMILES CCN(CC)CCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C14H20N2O/c1-3-16(4-2)9-8-11-10-15-12-6-5-7-13(17)14(11)12/h5-7,10,15,17H,3-4,8-9H2,1-2H3
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10n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the binding constant at [125I]-DOI-labeled rat 5-hydroxytryptamine 2C receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50094677
PNG
(3-(2-Dimethylamino-ethyl)-7-fluoro-1H-indol-4-ol |...)
Show SMILES CN(C)CCc1c[nH]c2c(F)ccc(O)c12
Show InChI InChI=1S/C12H15FN2O/c1-15(2)6-5-8-7-14-12-9(13)3-4-10(16)11(8)12/h3-4,7,14,16H,5-6H2,1-2H3
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13n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the binding constant at [125I]-DOI-labeled rat 5-hydroxytryptamine 2A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50094673
PNG
(CHEMBL342986 | Diethyl-[2-(5-methoxy-1H-indol-3-yl...)
Show SMILES CCN(CC)CCc1c[nH]c2ccc(OC)cc12
Show InChI InChI=1S/C15H22N2O/c1-4-17(5-2)9-8-12-11-16-15-7-6-13(18-3)10-14(12)15/h6-7,10-11,16H,4-5,8-9H2,1-3H3
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16n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the binding constant at [125I]-DOI-labeled rat 5-hydroxytryptamine 2C receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50094669
PNG
(CHEMBL337590 | [2-(6-Fluoro-5-methoxy-1H-indol-3-y...)
Show SMILES COc1cc2c(CCN(C)C)c[nH]c2cc1F
Show InChI InChI=1S/C13H17FN2O/c1-16(2)5-4-9-8-15-12-7-11(14)13(17-3)6-10(9)12/h6-8,15H,4-5H2,1-3H3
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19n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the binding constant at [125I]-DOI-labeled rat 5-hydroxytryptamine 2C receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50094675
PNG
(3-(2-Diethylamino-ethyl)-1H-indol-4-ol | CHEMBL143...)
Show SMILES CCN(CC)CCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C14H20N2O/c1-3-16(4-2)9-8-11-10-15-12-6-5-7-13(17)14(11)12/h5-7,10,15,17H,3-4,8-9H2,1-2H3
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25n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the binding constant at [125I]-DOI-labeled rat 5-hydroxytryptamine 2A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50094669
PNG
(CHEMBL337590 | [2-(6-Fluoro-5-methoxy-1H-indol-3-y...)
Show SMILES COc1cc2c(CCN(C)C)c[nH]c2cc1F
Show InChI InChI=1S/C13H17FN2O/c1-16(2)5-4-9-8-15-12-7-11(14)13(17-3)6-10(9)12/h6-8,15H,4-5H2,1-3H3
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33n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the binding constant at [125I]-DOI-labeled rat 5-hydroxytryptamine 2A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50094673
PNG
(CHEMBL342986 | Diethyl-[2-(5-methoxy-1H-indol-3-yl...)
Show SMILES CCN(CC)CCc1c[nH]c2ccc(OC)cc12
Show InChI InChI=1S/C15H22N2O/c1-4-17(5-2)9-8-12-11-16-15-7-6-13(18-3)10-14(12)15/h6-7,10-11,16H,4-5,8-9H2,1-3H3
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42n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the binding constant at [125I]-DOI-labeled rat 5-hydroxytryptamine 2A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50094676
PNG
(CHEMBL142936 | Diethyl-[2-(1H-indol-3-yl)-ethyl]-a...)
Show SMILES CCN(CC)CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C14H20N2/c1-3-16(4-2)10-9-12-11-15-14-8-6-5-7-13(12)14/h5-8,11,15H,3-4,9-10H2,1-2H3
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47n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the binding constant at [3H]-8-OH-DPAT-labeled human 5-hydroxytryptamine 1A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50094675
PNG
(3-(2-Diethylamino-ethyl)-1H-indol-4-ol | CHEMBL143...)
Show SMILES CCN(CC)CCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C14H20N2O/c1-3-16(4-2)9-8-11-10-15-12-6-5-7-13(17)14(11)12/h5-7,10,15,17H,3-4,8-9H2,1-2H3
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49n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the binding constant at [3H]-8-OH-DPAT-labeled human 5-hydroxytryptamine 1A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50094674
PNG
(CHEMBL142862 | [2-(4-Fluoro-5-methoxy-1H-indol-3-y...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1F
Show InChI InChI=1S/C13H17FN2O/c1-16(2)7-6-9-8-15-10-4-5-11(17-3)13(14)12(9)10/h4-5,8,15H,6-7H2,1-3H3
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55n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the binding constant at [125I]-DOI-labeled rat 5-hydroxytryptamine 2C receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50094669
PNG
(CHEMBL337590 | [2-(6-Fluoro-5-methoxy-1H-indol-3-y...)
Show SMILES COc1cc2c(CCN(C)C)c[nH]c2cc1F
Show InChI InChI=1S/C13H17FN2O/c1-16(2)5-4-9-8-15-12-7-11(14)13(17-3)6-10(9)12/h6-8,15H,4-5H2,1-3H3
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84.5n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the binding constant at [3H]-8-OH-DPAT-labeled human 5-hydroxytryptamine 1A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50094676
PNG
(CHEMBL142936 | Diethyl-[2-(1H-indol-3-yl)-ethyl]-a...)
Show SMILES CCN(CC)CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C14H20N2/c1-3-16(4-2)10-9-12-11-15-14-8-6-5-7-13(12)14/h5-8,11,15H,3-4,9-10H2,1-2H3
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104n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the binding constant at [125I]-DOI-labeled rat 5-hydroxytryptamine 2C receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50094671
PNG
(3-(2-Dimethylamino-ethyl)-6-fluoro-1H-indol-4-ol |...)
Show SMILES CN(C)CCc1c[nH]c2cc(F)cc(O)c12
Show InChI InChI=1S/C12H15FN2O/c1-15(2)4-3-8-7-14-10-5-9(13)6-11(16)12(8)10/h5-7,14,16H,3-4H2,1-2H3
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114n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the binding constant at [3H]-8-OH-DPAT-labeled human 5-hydroxytryptamine 1A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50094677
PNG
(3-(2-Dimethylamino-ethyl)-7-fluoro-1H-indol-4-ol |...)
Show SMILES CN(C)CCc1c[nH]c2c(F)ccc(O)c12
Show InChI InChI=1S/C12H15FN2O/c1-15(2)6-5-8-7-14-12-9(13)3-4-10(16)11(8)12/h3-4,7,14,16H,5-6H2,1-2H3
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120n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the binding constant at [3H]-8-OH-DPAT-labeled human 5-hydroxytryptamine 1A receptor receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50094674
PNG
(CHEMBL142862 | [2-(4-Fluoro-5-methoxy-1H-indol-3-y...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1F
Show InChI InChI=1S/C13H17FN2O/c1-16(2)7-6-9-8-15-10-4-5-11(17-3)13(14)12(9)10/h4-5,8,15H,6-7H2,1-3H3
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122n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the binding constant at [125I]-DOI-labeled rat 5-hydroxytryptamine 2A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50094676
PNG
(CHEMBL142936 | Diethyl-[2-(1H-indol-3-yl)-ethyl]-a...)
Show SMILES CCN(CC)CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C14H20N2/c1-3-16(4-2)10-9-12-11-15-14-8-6-5-7-13(12)14/h5-8,11,15H,3-4,9-10H2,1-2H3
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133n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the binding constant at [125I]-DOI-labeled rat 5-hydroxytryptamine 2A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50094672
PNG
(CHEMBL444612 | Diethyl-[2-(6-fluoro-1H-indol-3-yl)...)
Show SMILES CCN(CC)CCc1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C14H19FN2/c1-3-17(4-2)8-7-11-10-16-14-9-12(15)5-6-13(11)14/h5-6,9-10,16H,3-4,7-8H2,1-2H3
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145n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the binding constant at [125I]-DOI-labeled rat 5-hydroxytryptamine 2A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50094672
PNG
(CHEMBL444612 | Diethyl-[2-(6-fluoro-1H-indol-3-yl)...)
Show SMILES CCN(CC)CCc1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C14H19FN2/c1-3-17(4-2)8-7-11-10-16-14-9-12(15)5-6-13(11)14/h5-6,9-10,16H,3-4,7-8H2,1-2H3
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210n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the binding constant at [125I]-DOI-labeled rat 5-hydroxytryptamine 2C receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50094672
PNG
(CHEMBL444612 | Diethyl-[2-(6-fluoro-1H-indol-3-yl)...)
Show SMILES CCN(CC)CCc1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C14H19FN2/c1-3-17(4-2)8-7-11-10-16-14-9-12(15)5-6-13(11)14/h5-6,9-10,16H,3-4,7-8H2,1-2H3
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256n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the binding constant at [3H]-8-OH-DPAT-labeled human 5-hydroxytryptamine 1A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50094676
PNG
(CHEMBL142936 | Diethyl-[2-(1H-indol-3-yl)-ethyl]-a...)
Show SMILES CCN(CC)CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C14H20N2/c1-3-16(4-2)10-9-12-11-15-14-8-6-5-7-13(12)14/h5-8,11,15H,3-4,9-10H2,1-2H3
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n/an/an/an/a 680n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
EC50 for inhibition of 50 microM forskolin-stimulated cAMP accumulation against 5-hydroxytryptamine 1A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50094674
PNG
(CHEMBL142862 | [2-(4-Fluoro-5-methoxy-1H-indol-3-y...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1F
Show InChI InChI=1S/C13H17FN2O/c1-16(2)7-6-9-8-15-10-4-5-11(17-3)13(14)12(9)10/h4-5,8,15H,6-7H2,1-3H3
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n/an/an/an/a 0.930n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
EC50 for inhibition of 50 microM forskolin-stimulated cAMP accumulation against 5-hydroxytryptamine 1A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50094673
PNG
(CHEMBL342986 | Diethyl-[2-(5-methoxy-1H-indol-3-yl...)
Show SMILES CCN(CC)CCc1c[nH]c2ccc(OC)cc12
Show InChI InChI=1S/C15H22N2O/c1-4-17(5-2)9-8-12-11-16-15-7-6-13(18-3)10-14(12)15/h6-7,10-11,16H,4-5,8-9H2,1-3H3
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n/an/an/an/a 22n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
EC50 for inhibition of 50 microM forskolin-stimulated cAMP accumulation against 5-hydroxytryptamine 1A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50094677
PNG
(3-(2-Dimethylamino-ethyl)-7-fluoro-1H-indol-4-ol |...)
Show SMILES CN(C)CCc1c[nH]c2c(F)ccc(O)c12
Show InChI InChI=1S/C12H15FN2O/c1-15(2)6-5-8-7-14-12-9(13)3-4-10(16)11(8)12/h3-4,7,14,16H,5-6H2,1-2H3
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n/an/an/an/a 4.92E+3n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the effective concentration at [125I]-DOI-labeled rat 5-hydroxytryptamine 2A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50094671
PNG
(3-(2-Dimethylamino-ethyl)-6-fluoro-1H-indol-4-ol |...)
Show SMILES CN(C)CCc1c[nH]c2cc(F)cc(O)c12
Show InChI InChI=1S/C12H15FN2O/c1-15(2)4-3-8-7-14-10-5-9(13)6-11(16)12(8)10/h5-7,14,16H,3-4H2,1-2H3
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n/an/an/an/a 2.60E+3n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the effective concentration at [125I]-DOI-labeled rat 5-hydroxytryptamine 2A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50094670
PNG
(1-(4-Dipropylamino-1,3,4,5-tetrahydro-benzo[cd]ind...)
Show SMILES CCCN(CCC)C1Cc2c[nH]c3ccc(C(C)=O)c(C1)c23
Show InChI InChI=1S/C19H26N2O/c1-4-8-21(9-5-2)15-10-14-12-20-18-7-6-16(13(3)22)17(11-15)19(14)18/h6-7,12,15,20H,4-5,8-11H2,1-3H3
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n/an/an/an/a 0.130n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
EC50 for inhibition of 50 microM forskolin-stimulated cAMP accumulation against 5-hydroxytryptamine 1A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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 5.82n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
EC50 for inhibition of 50 microM forskolin-stimulated cAMP accumulation against 5-hydroxytryptamine 1A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50094673
PNG
(CHEMBL342986 | Diethyl-[2-(5-methoxy-1H-indol-3-yl...)
Show SMILES CCN(CC)CCc1c[nH]c2ccc(OC)cc12
Show InChI InChI=1S/C15H22N2O/c1-4-17(5-2)9-8-12-11-16-15-7-6-13(18-3)10-14(12)15/h6-7,10-11,16H,4-5,8-9H2,1-3H3
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n/an/an/an/a 2.39E+3n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the effective concentration at [125I]-DOI-labeled rat 5-hydroxytryptamine 2A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50094676
PNG
(CHEMBL142936 | Diethyl-[2-(1H-indol-3-yl)-ethyl]-a...)
Show SMILES CCN(CC)CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C14H20N2/c1-3-16(4-2)10-9-12-11-15-14-8-6-5-7-13(12)14/h5-8,11,15H,3-4,9-10H2,1-2H3
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n/an/an/an/a 5.37E+3n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the effective concentration at [125I]-DOI-labeled rat 5-hydroxytryptamine 2A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50094669
PNG
(CHEMBL337590 | [2-(6-Fluoro-5-methoxy-1H-indol-3-y...)
Show SMILES COc1cc2c(CCN(C)C)c[nH]c2cc1F
Show InChI InChI=1S/C13H17FN2O/c1-16(2)5-4-9-8-15-12-7-11(14)13(17-3)6-10(9)12/h6-8,15H,4-5H2,1-3H3
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n/an/an/an/a 7.90E+3n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the effective concentration at [125I]-DOI-labeled rat 5-hydroxytryptamine 2A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50094674
PNG
(CHEMBL142862 | [2-(4-Fluoro-5-methoxy-1H-indol-3-y...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1F
Show InChI InChI=1S/C13H17FN2O/c1-16(2)7-6-9-8-15-10-4-5-11(17-3)13(14)12(9)10/h4-5,8,15H,6-7H2,1-3H3
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n/an/an/an/a 1.81E+4n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the effective concentration at [125I]-DOI-labeled rat 5-hydroxytryptamine 2A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50094672
PNG
(CHEMBL444612 | Diethyl-[2-(6-fluoro-1H-indol-3-yl)...)
Show SMILES CCN(CC)CCc1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C14H19FN2/c1-3-17(4-2)8-7-11-10-16-14-9-12(15)5-6-13(11)14/h5-6,9-10,16H,3-4,7-8H2,1-2H3
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n/an/an/an/a 3.70E+3n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
EC50 for inhibition of 50 microM forskolin-stimulated cAMP accumulation against 5-hydroxytryptamine 1A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50094675
PNG
(3-(2-Diethylamino-ethyl)-1H-indol-4-ol | CHEMBL143...)
Show SMILES CCN(CC)CCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C14H20N2O/c1-3-16(4-2)9-8-11-10-15-12-6-5-7-13(17)14(11)12/h5-7,10,15,17H,3-4,8-9H2,1-2H3
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n/an/an/an/a 2.31E+3n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the effective concentration at [125I]-DOI-labeled rat 5-hydroxytryptamine 2A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50094672
PNG
(CHEMBL444612 | Diethyl-[2-(6-fluoro-1H-indol-3-yl)...)
Show SMILES CCN(CC)CCc1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C14H19FN2/c1-3-17(4-2)8-7-11-10-16-14-9-12(15)5-6-13(11)14/h5-6,9-10,16H,3-4,7-8H2,1-2H3
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n/an/an/an/a 3.39E+4n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the effective concentration at [125I]-DOI-labeled rat 5-hydroxytryptamine 2A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair