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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50036220   
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))
BDBM50043659
PNG
(4-Fluoro-N-[2-(5-methoxy-1,3,4,4a,9,9a-hexahydro-i...)
Show SMILES COc1cccc2CC3CN(CCNC(=O)c4ccc(F)cc4)CCC3c12
Show InChI InChI=1S/C22H25FN2O2/c1-27-20-4-2-3-16-13-17-14-25(11-9-19(17)21(16)20)12-10-24-22(26)15-5-7-18(23)8-6-15/h2-8,17,19H,9-14H2,1H3,(H,24,26)
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0.590n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor with [3H]5-HT


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50043660
PNG
(2-[3-(5-Methoxy-1,3,4,4a,9,9a-hexahydro-indeno[2,1...)
Show SMILES COc1cccc2CC3CN(CCCN4C(=O)c5ccccc5S4(=O)=O)CCC3c12
Show InChI InChI=1S/C23H26N2O4S/c1-29-20-8-4-6-16-14-17-15-24(13-10-18(17)22(16)20)11-5-12-25-23(26)19-7-2-3-9-21(19)30(25,27)28/h2-4,6-9,17-18H,5,10-15H2,1H3
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0.890n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor with [3H]5-HT


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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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1.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor with [3H]5-HT


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50453309
PNG
(CHEMBL2079598)
Show SMILES COc1cccc2C[C@@H]3CN(CCCCN4C(=O)CC5(CCCC5)CC4=O)CC[C@H]3c12
Show InChI InChI=1S/C26H36N2O3/c1-31-22-8-6-7-19-15-20-18-27(14-9-21(20)25(19)22)12-4-5-13-28-23(29)16-26(17-24(28)30)10-2-3-11-26/h6-8,20-21H,2-5,9-18H2,1H3/t20-,21-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor with [3H]5-HT


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50043661
PNG
(2-[4-(5-Methoxy-1,3,4,4a,9,9a-hexahydro-indeno[2,1...)
Show SMILES COc1cccc2CC3CN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CCC3c12
Show InChI InChI=1S/C24H28N2O4S/c1-30-21-9-6-7-17-15-18-16-25(14-11-19(18)23(17)21)12-4-5-13-26-24(27)20-8-2-3-10-22(20)31(26,28)29/h2-3,6-10,18-19H,4-5,11-16H2,1H3
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2n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor with [3H]5-HT


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50368853
PNG
(CHEMBL1743629)
Show SMILES COc1cccc2CC3CN(CCCCN4C(=O)C5C(C6C=CC5C5C=CC65)C4=O)CCC3c12
Show InChI InChI=1S/C29H34N2O3/c1-34-24-6-4-5-17-15-18-16-30(14-11-19(18)25(17)24)12-2-3-13-31-28(32)26-22-9-10-23(27(26)29(31)33)21-8-7-20(21)22/h4-10,18-23,26-27H,2-3,11-16H2,1H3
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3.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor with [3H]5-HT


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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17n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT binding to 5-hydroxytryptamine 1B receptor


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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46n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor with [3H]5-HT


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50453311
PNG
(CHEMBL2079596)
Show SMILES COc1cccc2C[C@@H]3CN(CCCN4C(=O)CC5(CCCC5)CC4=O)CC[C@H]3c12
Show InChI InChI=1S/C25H34N2O3/c1-30-21-7-4-6-18-14-19-17-26(13-8-20(19)24(18)21)11-5-12-27-22(28)15-25(16-23(27)29)9-2-3-10-25/h4,6-7,19-20H,2-3,5,8-17H2,1H3/t19-,20-/m1/s1
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51n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor with [3H]5-HT


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50453308
PNG
(CHEMBL2079545)
Show SMILES COc1cccc2C[C@H]3CN(CCCCN4C(=O)CC5(CCCC5)CC4=O)CC[C@H]3c12
Show InChI InChI=1S/C26H36N2O3/c1-31-22-8-6-7-19-15-20-18-27(14-9-21(20)25(19)22)12-4-5-13-28-23(29)16-26(17-24(28)30)10-2-3-11-26/h6-8,20-21H,2-5,9-18H2,1H3/t20-,21+/m0/s1
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55n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor with [3H]5-HT


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50453307
PNG
(CHEMBL2079544)
Show SMILES CCCN1CC[C@@H]2[C@H](Cc3cccc(OC)c23)C1
Show InChI InChI=1S/C16H23NO/c1-3-8-17-9-7-14-13(11-17)10-12-5-4-6-15(18-2)16(12)14/h4-6,13-14H,3,7-11H2,1-2H3/t13-,14-/m1/s1
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76n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor with [3H]5-HT


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50043661
PNG
(2-[4-(5-Methoxy-1,3,4,4a,9,9a-hexahydro-indeno[2,1...)
Show SMILES COc1cccc2CC3CN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CCC3c12
Show InChI InChI=1S/C24H28N2O4S/c1-30-21-9-6-7-17-15-18-16-25(14-11-19(18)23(17)21)12-4-5-13-26-24(27)20-8-2-3-10-22(20)31(26,28)29/h2-3,6-10,18-19H,4-5,11-16H2,1H3
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325n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT binding to 5-hydroxytryptamine 1B receptor


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50453310
PNG
(CHEMBL2079546)
Show SMILES COc1cccc2C[C@H]3CN(CCCN4C(=O)CC5(CCCC5)CC4=O)CC[C@H]3c12
Show InChI InChI=1S/C25H34N2O3/c1-30-21-7-4-6-18-14-19-17-26(13-8-20(19)24(18)21)11-5-12-27-22(28)15-25(16-23(27)29)9-2-3-10-25/h4,6-7,19-20H,2-3,5,8-17H2,1H3/t19-,20+/m0/s1
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692n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor with [3H]5-HT


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50453309
PNG
(CHEMBL2079598)
Show SMILES COc1cccc2C[C@@H]3CN(CCCCN4C(=O)CC5(CCCC5)CC4=O)CC[C@H]3c12
Show InChI InChI=1S/C26H36N2O3/c1-31-22-8-6-7-19-15-20-18-27(14-9-21(20)25(19)22)12-4-5-13-28-23(29)16-26(17-24(28)30)10-2-3-11-26/h6-8,20-21H,2-5,9-18H2,1H3/t20-,21-/m1/s1
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800n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT binding to 5-hydroxytryptamine 1B receptor


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50043660
PNG
(2-[3-(5-Methoxy-1,3,4,4a,9,9a-hexahydro-indeno[2,1...)
Show SMILES COc1cccc2CC3CN(CCCN4C(=O)c5ccccc5S4(=O)=O)CCC3c12
Show InChI InChI=1S/C23H26N2O4S/c1-29-20-8-4-6-16-14-17-15-24(13-10-18(17)22(16)20)11-5-12-25-23(26)19-7-2-3-9-21(19)30(25,27)28/h2-4,6-9,17-18H,5,10-15H2,1H3
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845n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT binding to 5-hydroxytryptamine 1B receptor


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50043659
PNG
(4-Fluoro-N-[2-(5-methoxy-1,3,4,4a,9,9a-hexahydro-i...)
Show SMILES COc1cccc2CC3CN(CCNC(=O)c4ccc(F)cc4)CCC3c12
Show InChI InChI=1S/C22H25FN2O2/c1-27-20-4-2-3-16-13-17-14-25(11-9-19(17)21(16)20)12-10-24-22(26)15-5-7-18(23)8-6-15/h2-8,17,19H,9-14H2,1H3,(H,24,26)
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888n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT binding to 5-hydroxytryptamine 1B receptor


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50368853
PNG
(CHEMBL1743629)
Show SMILES COc1cccc2CC3CN(CCCCN4C(=O)C5C(C6C=CC5C5C=CC65)C4=O)CCC3c12
Show InChI InChI=1S/C29H34N2O3/c1-34-24-6-4-5-17-15-18-16-30(14-11-19(18)25(17)24)12-2-3-13-31-28(32)26-22-9-10-23(27(26)29(31)33)21-8-7-20(21)22/h4-10,18-23,26-27H,2-3,11-16H2,1H3
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1.31E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT binding to 5-hydroxytryptamine 1B receptor


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50453312
PNG
(CHEMBL2079597)
Show SMILES CCCN1CC[C@@H]2[C@@H](Cc3cccc(OC)c23)C1
Show InChI InChI=1S/C16H23NO/c1-3-8-17-9-7-14-13(11-17)10-12-5-4-6-15(18-2)16(12)14/h4-6,13-14H,3,7-11H2,1-2H3/t13-,14+/m0/s1
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1.41E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor with [3H]5-HT


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(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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2.57E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT binding to 5-hydroxytryptamine 1B receptor


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50453307
PNG
(CHEMBL2079544)
Show SMILES CCCN1CC[C@@H]2[C@H](Cc3cccc(OC)c23)C1
Show InChI InChI=1S/C16H23NO/c1-3-8-17-9-7-14-13(11-17)10-12-5-4-6-15(18-2)16(12)14/h4-6,13-14H,3,7-11H2,1-2H3/t13-,14-/m1/s1
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5.01E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT binding to 5-hydroxytryptamine 1B receptor


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50453311
PNG
(CHEMBL2079596)
Show SMILES COc1cccc2C[C@@H]3CN(CCCN4C(=O)CC5(CCCC5)CC4=O)CC[C@H]3c12
Show InChI InChI=1S/C25H34N2O3/c1-30-21-7-4-6-18-14-19-17-26(13-8-20(19)24(18)21)11-5-12-27-22(28)15-25(16-23(27)29)9-2-3-10-25/h4,6-7,19-20H,2-3,5,8-17H2,1H3/t19-,20-/m1/s1
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7.36E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT binding to 5-hydroxytryptamine 1B receptor


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50453308
PNG
(CHEMBL2079545)
Show SMILES COc1cccc2C[C@H]3CN(CCCCN4C(=O)CC5(CCCC5)CC4=O)CC[C@H]3c12
Show InChI InChI=1S/C26H36N2O3/c1-31-22-8-6-7-19-15-20-18-27(14-9-21(20)25(19)22)12-4-5-13-28-23(29)16-26(17-24(28)30)10-2-3-11-26/h6-8,20-21H,2-5,9-18H2,1H3/t20-,21+/m0/s1
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PubMed
1.36E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT binding to 5-hydroxytryptamine 1B receptor


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50453312
PNG
(CHEMBL2079597)
Show SMILES CCCN1CC[C@@H]2[C@@H](Cc3cccc(OC)c23)C1
Show InChI InChI=1S/C16H23NO/c1-3-8-17-9-7-14-13(11-17)10-12-5-4-6-15(18-2)16(12)14/h4-6,13-14H,3,7-11H2,1-2H3/t13-,14+/m0/s1
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4.85E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT binding to 5-hydroxytryptamine 1B receptor


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50453310
PNG
(CHEMBL2079546)
Show SMILES COc1cccc2C[C@H]3CN(CCCN4C(=O)CC5(CCCC5)CC4=O)CC[C@H]3c12
Show InChI InChI=1S/C25H34N2O3/c1-30-21-7-4-6-18-14-19-17-26(13-8-20(19)24(18)21)11-5-12-27-22(28)15-25(16-23(27)29)9-2-3-10-25/h4,6-7,19-20H,2-3,5,8-17H2,1H3/t19-,20+/m0/s1
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PubMed
9.64E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT binding to 5-hydroxytryptamine 1B receptor


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair