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Compile Data Set for Download or QSAR

Found 335 hits with Last Name = 'titeler' and Initial = 'm'   
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 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50064708
PNG
((R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...)
Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1Br |r|
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m1/s1
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0.390n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 930-2 (1987)


BindingDB Entry DOI: 10.7270/Q2XS5XKM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.5n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Life Sci 33: 2011-6 (1983)


Article DOI: 10.1016/0024-3205(83)90740-3
BindingDB Entry DOI: 10.7270/Q2DR2T0M
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82517
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
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0.600n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards 5-hydroxytryptamine 1A receptor in rat striatal membranes by [3H]-OH-DPAT displacement.


J Med Chem 32: 1921-6 (1989)


BindingDB Entry DOI: 10.7270/Q2J67FWB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82517
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
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0.600n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards 5-hydroxytryptamine 1A receptor in rat brain


J Med Chem 31: 1968-71 (1988)


BindingDB Entry DOI: 10.7270/Q2F18XR2
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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0.790n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 930-2 (1987)


BindingDB Entry DOI: 10.7270/Q2XS5XKM
More data for this
Ligand-Target Pair
HTR1D


(Bos taurus (Bovine))
BDBM50027065
PNG
((5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)e...)
Show SMILES CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O |r,c:4|
Show InChI InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




J Neurochem 53: 465-71 (1989)


Article DOI: 10.1111/j.1471-4159.1989.tb07357.x
BindingDB Entry DOI: 10.7270/Q20000K7
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50020702
PNG
(3-(2-Dipropylamino-ethyl)-1H-indol-5-ol | 3-(2-Dip...)
Show SMILES CCCN(CCC)CCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C16H24N2O/c1-3-8-18(9-4-2)10-7-13-12-17-16-6-5-14(19)11-15(13)16/h5-6,11-12,17,19H,3-4,7-10H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Effect on plasma amine oxidase (0.1 uM) after 30 min of incubation at pH 7.2


J Med Chem 31: 867-70 (1988)


BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007173
PNG
(2-[4-(4-Naphthalen-1-yl-piperazin-1-yl)-butyl]-iso...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2cccc3ccccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C26H27N3O2/c30-25-22-11-3-4-12-23(22)26(31)29(25)15-6-5-14-27-16-18-28(19-17-27)24-13-7-9-20-8-1-2-10-21(20)24/h1-4,7-13H,5-6,14-19H2
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1n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards 5-hydroxytryptamine 1A receptor in rat brain


J Med Chem 31: 1968-71 (1988)


BindingDB Entry DOI: 10.7270/Q2F18XR2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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1.04n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Life Sci 33: 2011-6 (1983)


Article DOI: 10.1016/0024-3205(83)90740-3
BindingDB Entry DOI: 10.7270/Q2DR2T0M
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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1.04n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Life Sci 33: 2011-6 (1983)


Article DOI: 10.1016/0024-3205(83)90740-3
BindingDB Entry DOI: 10.7270/Q2DR2T0M
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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1.07n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Life Sci 33: 2011-6 (1983)


Article DOI: 10.1016/0024-3205(83)90740-3
BindingDB Entry DOI: 10.7270/Q2DR2T0M
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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1.20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor


J Med Chem 31: 867-70 (1988)


BindingDB Entry DOI: 10.7270/Q2QN65SB
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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1.20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity at [3H]-8-OH-DPAT-Labeled 5-hydroxytryptamine 1A receptor sites in rat brain hippocampal membranes


J Med Chem 32: 253-6 (1989)


BindingDB Entry DOI: 10.7270/Q2M907NQ
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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1.20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL




J Med Chem 33: 1032-6 (1990)


BindingDB Entry DOI: 10.7270/Q2319Z37
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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1.24n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Life Sci 33: 2011-6 (1983)


Article DOI: 10.1016/0024-3205(83)90740-3
BindingDB Entry DOI: 10.7270/Q2DR2T0M
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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1.29n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Life Sci 33: 2011-6 (1983)


Article DOI: 10.1016/0024-3205(83)90740-3
BindingDB Entry DOI: 10.7270/Q2DR2T0M
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50016737
PNG
((8-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-dip...)
Show SMILES CCCN(CCC)C1CCc2cccc(OC)c2C1
Show InChI InChI=1S/C17H27NO/c1-4-11-18(12-5-2)15-10-9-14-7-6-8-17(19-3)16(14)13-15/h6-8,15H,4-5,9-13H2,1-3H3
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1.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor


J Med Chem 31: 867-70 (1988)


BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50016737
PNG
((8-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-dip...)
Show SMILES CCCN(CCC)C1CCc2cccc(OC)c2C1
Show InChI InChI=1S/C17H27NO/c1-4-11-18(12-5-2)15-10-9-14-7-6-8-17(19-3)16(14)13-15/h6-8,15H,4-5,9-13H2,1-3H3
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1.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity at [3H]-8-OH-DPAT-Labeled 5-hydroxytryptamine 1A receptor sites in rat brain hippocampal membranes


J Med Chem 32: 253-6 (1989)


BindingDB Entry DOI: 10.7270/Q2M907NQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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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1.70n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor


J Med Chem 31: 867-70 (1988)


BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50016743
PNG
(7-(3-Phenyl-propylamino)-5,6,7,8-tetrahydro-naphth...)
Show SMILES Oc1cccc2CCC(Cc12)NCCCc1ccccc1
Show InChI InChI=1S/C19H23NO/c21-19-10-4-9-16-11-12-17(14-18(16)19)20-13-5-8-15-6-2-1-3-7-15/h1-4,6-7,9-10,17,20-21H,5,8,11-14H2
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1.90n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity at [3H]-8-OH-DPAT-Labeled 5-hydroxytryptamine 1A receptor sites in rat brain hippocampal membranes


J Med Chem 32: 253-6 (1989)


BindingDB Entry DOI: 10.7270/Q2M907NQ
More data for this
Ligand-Target Pair
HTR1D


(Bos taurus (Bovine))
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



Albany Medical College

Curated by PDSP Ki Database




J Neurochem 53: 465-71 (1989)


Article DOI: 10.1111/j.1471-4159.1989.tb07357.x
BindingDB Entry DOI: 10.7270/Q20000K7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50016740
PNG
((8-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-met...)
Show SMILES COc1cccc2CCC(Cc12)N(C)CCCc1ccccc1
Show InChI InChI=1S/C21H27NO/c1-22(15-7-10-17-8-4-3-5-9-17)19-14-13-18-11-6-12-21(23-2)20(18)16-19/h3-6,8-9,11-12,19H,7,10,13-16H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity at [3H]-8-OH-DPAT-Labeled 5-hydroxytryptamine 1A receptor sites in rat brain hippocampal membranes


J Med Chem 32: 253-6 (1989)


BindingDB Entry DOI: 10.7270/Q2M907NQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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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2n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity was determined against 5-hydroxytryptamine 1A receptor was determined in male Sprague-Dawley rat brain.


J Med Chem 33: 755-8 (1990)


BindingDB Entry DOI: 10.7270/Q2PG1QPP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007180
PNG
(CHEMBL26188 | N-(4-(4-(2-methoxyphenyl)piperazin-1...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccccc2)CC1
Show InChI InChI=1S/C22H29N3O2/c1-27-21-12-6-5-11-20(21)25-17-15-24(16-18-25)14-8-7-13-23-22(26)19-9-3-2-4-10-19/h2-6,9-12H,7-8,13-18H2,1H3,(H,23,26)
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2n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards 5-hydroxytryptamine 1A receptor in rat brain


J Med Chem 31: 1968-71 (1988)


BindingDB Entry DOI: 10.7270/Q2F18XR2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50016745
PNG
((8-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-met...)
Show SMILES CCCN(C)C1CCc2cccc(OC)c2C1
Show InChI InChI=1S/C15H23NO/c1-4-10-16(2)13-9-8-12-6-5-7-15(17-3)14(12)11-13/h5-7,13H,4,8-11H2,1-3H3
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2.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity at [3H]-8-OH-DPAT-Labeled 5-hydroxytryptamine 1A receptor sites in rat brain hippocampal membranes


J Med Chem 32: 253-6 (1989)


BindingDB Entry DOI: 10.7270/Q2M907NQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50016736
PNG
((8-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-pro...)
Show SMILES CCCNC1CCc2cccc(OC)c2C1
Show InChI InChI=1S/C14H21NO/c1-3-9-15-12-8-7-11-5-4-6-14(16-2)13(11)10-12/h4-6,12,15H,3,7-10H2,1-2H3
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2.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity at [3H]-8-OH-DPAT-Labeled 5-hydroxytryptamine 1A receptor sites in rat brain hippocampal membranes


J Med Chem 32: 253-6 (1989)


BindingDB Entry DOI: 10.7270/Q2M907NQ
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50274042
PNG
((S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...)
Show SMILES COc1cc(C[C@H](C)N)c(OC)cc1Br |r|
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 930-2 (1987)


BindingDB Entry DOI: 10.7270/Q2XS5XKM
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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2.40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL




J Med Chem 32: 859-63 (1989)


BindingDB Entry DOI: 10.7270/Q2571CMK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50016738
PNG
((8-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-(3-...)
Show SMILES COc1cccc2CCC(Cc12)NCCCc1ccccc1
Show InChI InChI=1S/C20H25NO/c1-22-20-11-5-10-17-12-13-18(15-19(17)20)21-14-6-9-16-7-3-2-4-8-16/h2-5,7-8,10-11,18,21H,6,9,12-15H2,1H3
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2.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity at [3H]-8-OH-DPAT-Labeled 5-hydroxytryptamine 1A receptor sites in rat brain hippocampal membranes


J Med Chem 32: 253-6 (1989)


BindingDB Entry DOI: 10.7270/Q2M907NQ
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50014997
PNG
(1-(4-hexyl-2,5-dimethoxyphenyl)propan-2-amine | 2-...)
Show SMILES CCCCCCc1cc(OC)c(CC(C)N)cc1OC
Show InChI InChI=1S/C17H29NO2/c1-5-6-7-8-9-14-11-17(20-4)15(10-13(2)18)12-16(14)19-3/h11-13H,5-10,18H2,1-4H3
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2.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL




J Med Chem 33: 1032-6 (1990)


BindingDB Entry DOI: 10.7270/Q2319Z37
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50012997
PNG
(CHEMBL1204088)
Show SMILES Cl.CCCCCCCCc1cc(OC)c(CC(C)N)cc1OC
Show InChI InChI=1S/C29H40N6O5/c1-20(2)16-24(35-29(39)40-19-22-12-7-4-8-13-22)27(38)34-25(17-21-10-5-3-6-11-21)26(37)33-23(18-36)14-9-15-32-28(30)31/h3-8,10-13,18,20,23-25H,9,14-17,19H2,1-2H3,(H,33,37)(H,34,38)(H,35,39)(H4,30,31,32)
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3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL




J Med Chem 33: 1032-6 (1990)


BindingDB Entry DOI: 10.7270/Q2319Z37
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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3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity was determined against 5-hydroxytryptamine 1D receptor in bovine caudate homogenate


J Med Chem 33: 755-8 (1990)


BindingDB Entry DOI: 10.7270/Q2PG1QPP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21342
PNG
((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12|
Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1
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3.16n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Life Sci 33: 2011-6 (1983)


Article DOI: 10.1016/0024-3205(83)90740-3
BindingDB Entry DOI: 10.7270/Q2DR2T0M
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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3.20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards 5-hydroxytryptamine 1A receptor in rat striatal membranes by [3H]-OH-DPAT displacement.


J Med Chem 32: 1921-6 (1989)


BindingDB Entry DOI: 10.7270/Q2J67FWB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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3.20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor


J Med Chem 31: 867-70 (1988)


BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21342
PNG
((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12|
Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1
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3.23n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Life Sci 33: 2011-6 (1983)


Article DOI: 10.1016/0024-3205(83)90740-3
BindingDB Entry DOI: 10.7270/Q2DR2T0M
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50018459
PNG
(1-(7-Methoxy-naphthalen-1-yl)-piperazine | 4-(7-Me...)
Show SMILES COc1ccc2cccc(N3CCNCC3)c2c1
Show InChI InChI=1S/C15H18N2O/c1-18-13-6-5-12-3-2-4-15(14(12)11-13)17-9-7-16-8-10-17/h2-6,11,16H,7-10H2,1H3
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3.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards 5-hydroxytryptamine 1A receptor in rat striatal membranes by [3H]-OH-DPAT displacement.


J Med Chem 32: 1921-6 (1989)


BindingDB Entry DOI: 10.7270/Q2J67FWB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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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3.5n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




J Neurochem 53: 465-71 (1989)


Article DOI: 10.1111/j.1471-4159.1989.tb07357.x
BindingDB Entry DOI: 10.7270/Q20000K7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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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4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity was determined against 5-hydroxytryptamine 1E receptor in human cortical homogenate


J Med Chem 33: 755-8 (1990)


BindingDB Entry DOI: 10.7270/Q2PG1QPP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50020703
PNG
(CHEMBL169328 | [2-(5-Methoxy-1H-indol-3-yl)-ethyl]...)
Show SMILES CCCN(CCC)CCc1c[nH]c2ccc(OC)cc12
Show InChI InChI=1S/C17H26N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h6-7,12-13,18H,4-5,8-11H2,1-3H3
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4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor


J Med Chem 31: 867-70 (1988)


BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards 5-hydroxytryptamine 1B receptor


J Med Chem 31: 867-70 (1988)


BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50016900
PNG
((E)-N-[2-(3-Dimethylamino-propylsulfanyl)-phenyl]-...)
Show SMILES CN(C)CCCSc1ccccc1NC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+
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4.45n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Life Sci 33: 2011-6 (1983)


Article DOI: 10.1016/0024-3205(83)90740-3
BindingDB Entry DOI: 10.7270/Q2DR2T0M
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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4.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Effect on plasma amine oxidase (0.1 uM) after 30 min of incubation at pH 7.2


J Med Chem 31: 867-70 (1988)


BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(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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5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity was determined against 5-hydroxytryptamine 1B receptor was determined in male Sprague-Dawley rat brain.


J Med Chem 33: 755-8 (1990)


BindingDB Entry DOI: 10.7270/Q2PG1QPP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50018456
PNG
(2-{5-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-pentyl}...)
Show SMILES COc1ccccc1N1CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C24H29N3O3/c1-30-22-12-6-5-11-21(22)26-17-15-25(16-18-26)13-7-2-8-14-27-23(28)19-9-3-4-10-20(19)24(27)29/h3-6,9-12H,2,7-8,13-18H2,1H3
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5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards 5-HT 1A receptor by measuring ability to displace [3H]-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat stria...


J Med Chem 32: 1921-6 (1989)


BindingDB Entry DOI: 10.7270/Q2J67FWB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand


J Med Chem 33: 2777-84 (1990)


BindingDB Entry DOI: 10.7270/Q2GX49JP
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(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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5.40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards 5-hydroxytryptamine 1B receptor


J Med Chem 31: 867-70 (1988)


BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50016900
PNG
((E)-N-[2-(3-Dimethylamino-propylsulfanyl)-phenyl]-...)
Show SMILES CN(C)CCCSc1ccccc1NC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+
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Article
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5.45n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Life Sci 33: 2011-6 (1983)


Article DOI: 10.1016/0024-3205(83)90740-3
BindingDB Entry DOI: 10.7270/Q2DR2T0M
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21342
PNG
((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12|
Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1
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5.47n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Life Sci 33: 2011-6 (1983)


Article DOI: 10.1016/0024-3205(83)90740-3
BindingDB Entry DOI: 10.7270/Q2DR2T0M
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50016744
PNG
((8-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-(4-...)
Show SMILES COc1cccc2CCC(Cc12)NCCCCc1ccccc1
Show InChI InChI=1S/C21H27NO/c1-23-21-12-7-11-18-13-14-19(16-20(18)21)22-15-6-5-10-17-8-3-2-4-9-17/h2-4,7-9,11-12,19,22H,5-6,10,13-16H2,1H3
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5.60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity at [3H]-8-OH-DPAT-Labeled 5-hydroxytryptamine 1A receptor sites in rat brain hippocampal membranes


J Med Chem 32: 253-6 (1989)


BindingDB Entry DOI: 10.7270/Q2M907NQ
More data for this
Ligand-Target Pair
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