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PubMed code 8230102

Compile data set for download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
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 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50041469
PNG
((R,S) 7-[(3-Iodo-allyl)-propyl-amino]-5,6,7,8-tetr...)
Show SMILES CCCN(C\C=C\I)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H22INO/c1-2-10-18(11-4-9-17)14-8-7-13-5-3-6-16(19)15(13)12-14/h3-6,9,14,19H,2,7-8,10-12H2,1H3/b9-4+
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0.300n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [125I]trans-8-OH-PIPAT in membrane homogenates of hippocampal tissue ...


J Med Chem 36: 3161-5 (1993)


Article DOI: 10.1021/jm00073a016
BindingDB Entry DOI: 10.7270/Q2JQ11N4
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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0.630n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in membrane homogenates of hippocampal tissue of rat br...


J Med Chem 36: 3161-5 (1993)


Article DOI: 10.1021/jm00073a016
BindingDB Entry DOI: 10.7270/Q2JQ11N4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50041469
PNG
((R,S) 7-[(3-Iodo-allyl)-propyl-amino]-5,6,7,8-tetr...)
Show SMILES CCCN(C\C=C\I)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H22INO/c1-2-10-18(11-4-9-17)14-8-7-13-5-3-6-16(19)15(13)12-14/h3-6,9,14,19H,2,7-8,10-12H2,1H3/b9-4+
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0.920n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in membrane homogenates of hippocampal tissue of rat br...


J Med Chem 36: 3161-5 (1993)


Article DOI: 10.1021/jm00073a016
BindingDB Entry DOI: 10.7270/Q2JQ11N4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM69602
PNG
(2,3-dihydro-1,4-benzodioxin-3-ylmethyl-[2-(2,6-dim...)
Show SMILES COc1cccc(OC)c1OCCNCC1COc2ccccc2O1
Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3
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2.70n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [125I]trans-8-OH-PIPAT in membrane homogenates of hippocampal tissue ...


J Med Chem 36: 3161-5 (1993)


Article DOI: 10.1021/jm00073a016
BindingDB Entry DOI: 10.7270/Q2JQ11N4
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50020222
PNG
((+/-)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthal...)
Show SMILES CCCN(CCC)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3
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2.90n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]- NCQ298 binding to dopamine receptor D3 in Sf 9 cells


J Med Chem 36: 3161-5 (1993)


Article DOI: 10.1021/jm00073a016
BindingDB Entry DOI: 10.7270/Q2JQ11N4
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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4.30n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [125I]trans-8-OH-PIPAT in membrane homogenates of hippocampal tissue ...


J Med Chem 36: 3161-5 (1993)


Article DOI: 10.1021/jm00073a016
BindingDB Entry DOI: 10.7270/Q2JQ11N4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50038276
PNG
((R,S) 7-[(3-Iodo-allyl)-propyl-amino]-5,6,7,8-tetr...)
Show SMILES CCCN(C\C=C\I)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C16H22INO/c1-2-9-18(10-3-8-17)15-6-4-13-5-7-16(19)12-14(13)11-15/h3,5,7-8,12,15,19H,2,4,6,9-11H2,1H3/b8-3+
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5.10n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [125I]trans-8-OH-PIPAT in membrane homogenates of hippocampal tissue ...


J Med Chem 36: 3161-5 (1993)


Article DOI: 10.1021/jm00073a016
BindingDB Entry DOI: 10.7270/Q2JQ11N4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50041951
PNG
((R,S) 7-(3-Iodo-allylamino)-5,6,7,8-tetrahydro-nap...)
Show SMILES Oc1cccc2CCC(Cc12)NC\C=C\I
Show InChI InChI=1S/C13H16INO/c14-7-2-8-15-11-6-5-10-3-1-4-13(16)12(10)9-11/h1-4,7,11,15-16H,5-6,8-9H2/b7-2+
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10n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in membrane homogenates of hippocampal tissue of rat br...


J Med Chem 36: 3161-5 (1993)


Article DOI: 10.1021/jm00073a016
BindingDB Entry DOI: 10.7270/Q2JQ11N4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50041952
PNG
((R,S) (3-Iodo-allyl)-(8-methoxy-1,2,3,4-tetrahydro...)
Show SMILES CCCN(C\C=C\I)C1CCc2cccc(OC)c2C1
Show InChI InChI=1S/C17H24INO/c1-3-11-19(12-5-10-18)15-9-8-14-6-4-7-17(20-2)16(14)13-15/h4-7,10,15H,3,8-9,11-13H2,1-2H3/b10-5+
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13n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in membrane homogenates of hippocampal tissue of rat br...


J Med Chem 36: 3161-5 (1993)


Article DOI: 10.1021/jm00073a016
BindingDB Entry DOI: 10.7270/Q2JQ11N4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50041953
PNG
((R,S) (3-Iodo-allyl)-(8-methoxy-1,2,3,4-tetrahydro...)
Show SMILES COc1cccc2CCC(Cc12)NC\C=C\I
Show InChI InChI=1S/C14H18INO/c1-17-14-5-2-4-11-6-7-12(10-13(11)14)16-9-3-8-15/h2-5,8,12,16H,6-7,9-10H2,1H3/b8-3+
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17n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in membrane homogenates of hippocampal tissue of rat br...


J Med Chem 36: 3161-5 (1993)


Article DOI: 10.1021/jm00073a016
BindingDB Entry DOI: 10.7270/Q2JQ11N4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50020222
PNG
((+/-)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthal...)
Show SMILES CCCN(CCC)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3
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73n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [125I]trans-8-OH-PIPAT in membrane homogenates of hippocampal tissue ...


J Med Chem 36: 3161-5 (1993)


Article DOI: 10.1021/jm00073a016
BindingDB Entry DOI: 10.7270/Q2JQ11N4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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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113n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [125I]trans-8-OH-PIPAT in membrane homogenates of hippocampal tissue ...


J Med Chem 36: 3161-5 (1993)


Article DOI: 10.1021/jm00073a016
BindingDB Entry DOI: 10.7270/Q2JQ11N4
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50041469
PNG
((R,S) 7-[(3-Iodo-allyl)-propyl-amino]-5,6,7,8-tetr...)
Show SMILES CCCN(C\C=C\I)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H22INO/c1-2-10-18(11-4-9-17)14-8-7-13-5-3-6-16(19)15(13)12-14/h3-6,9,14,19H,2,7-8,10-12H2,1H3/b9-4+
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125n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]- NCQ298 binding to dopamine receptor D3 in Sf 9 cells


J Med Chem 36: 3161-5 (1993)


Article DOI: 10.1021/jm00073a016
BindingDB Entry DOI: 10.7270/Q2JQ11N4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020222
PNG
((+/-)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthal...)
Show SMILES CCCN(CCC)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3
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142n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]- NCQ298 binding to dopamine receptor D2 in Sf 9 cells


J Med Chem 36: 3161-5 (1993)


Article DOI: 10.1021/jm00073a016
BindingDB Entry DOI: 10.7270/Q2JQ11N4
More data for this
Ligand-Target Pair
Dopamine 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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251n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]- NCQ298 binding to dopamine receptor D3 in Sf 9 cells


J Med Chem 36: 3161-5 (1993)


Article DOI: 10.1021/jm00073a016
BindingDB Entry DOI: 10.7270/Q2JQ11N4
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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602n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [125I]trans-8-OH-PIPAT in membrane homogenates of hippocampal tissue ...


J Med Chem 36: 3161-5 (1993)


Article DOI: 10.1021/jm00073a016
BindingDB Entry DOI: 10.7270/Q2JQ11N4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50041469
PNG
((R,S) 7-[(3-Iodo-allyl)-propyl-amino]-5,6,7,8-tetr...)
Show SMILES CCCN(C\C=C\I)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H22INO/c1-2-10-18(11-4-9-17)14-8-7-13-5-3-6-16(19)15(13)12-14/h3-6,9,14,19H,2,7-8,10-12H2,1H3/b9-4+
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1.07E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]- NCQ298 binding to dopamine receptor D2 in Sf 9 cells


J Med Chem 36: 3161-5 (1993)


Article DOI: 10.1021/jm00073a016
BindingDB Entry DOI: 10.7270/Q2JQ11N4
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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1.82E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [125I]trans-8-OH-PIPAT in membrane homogenates of hippocampal tissue ...


J Med Chem 36: 3161-5 (1993)


Article DOI: 10.1021/jm00073a016
BindingDB Entry DOI: 10.7270/Q2JQ11N4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(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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3.24E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]- NCQ298 binding to dopamine receptor D2 in Sf 9 cells


J Med Chem 36: 3161-5 (1993)


Article DOI: 10.1021/jm00073a016
BindingDB Entry DOI: 10.7270/Q2JQ11N4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [125I]trans-8-OH-PIPAT in membrane homogenates of hippocampal tissue ...


J Med Chem 36: 3161-5 (1993)


Article DOI: 10.1021/jm00073a016
BindingDB Entry DOI: 10.7270/Q2JQ11N4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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>2.00E+4n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [125I]trans-8-OH-PIPAT in membrane homogenates of hippocampal tissue ...


J Med Chem 36: 3161-5 (1993)


Article DOI: 10.1021/jm00073a016
BindingDB Entry DOI: 10.7270/Q2JQ11N4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%