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Compile Data Set for Download or QSAR

Found 99 hits with Last Name = 'chumpradit' and Initial = 's'   
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50040079
PNG
(CHEMBL308524 | N-(1-Ethyl-pyrrolidin-2-ylmethyl)-2...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(I)cc(OC)c1OC
Show InChI InChI=1S/C16H23IN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(20)11(17)8-12(22-2)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)/t10-/m0/s1
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0.0190n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant against dopamine receptor D2 in rat


J Med Chem 36: 221-8 (1993)


Article DOI: 10.1021/jm00054a005
BindingDB Entry DOI: 10.7270/Q2TT4Q10
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50008785
PNG
(CHEMBL42953 | N-(1-Ethyl-pyrrolidin-2-ylmethyl)-5-...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC
Show InChI InChI=1S/C19H29FN2O3/c1-4-22-10-6-8-15(22)13-21-19(23)16-11-14(7-5-9-20)12-17(24-2)18(16)25-3/h11-12,15H,4-10,13H2,1-3H3,(H,21,23)/t15-/m0/s1
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0.0200n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant against dopamine receptor D2 in rat


J Med Chem 36: 221-8 (1993)


Article DOI: 10.1021/jm00054a005
BindingDB Entry DOI: 10.7270/Q2TT4Q10
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50008782
PNG
(CHEMBL44237 | EPIDEPRIDE | Epidepride;N-(1-Ethyl-p...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(I)cc(OC)c1OC
Show InChI InChI=1S/C16H23IN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)/t12-/m0/s1
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0.0250n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant against dopamine receptor D2 in rat


J Med Chem 36: 221-8 (1993)


Article DOI: 10.1021/jm00054a005
BindingDB Entry DOI: 10.7270/Q2TT4Q10
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007518
PNG
((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC
Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1
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0.0900n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition constant against dopamine receptor D2 in rat


J Med Chem 36: 221-8 (1993)


Article DOI: 10.1021/jm00054a005
BindingDB Entry DOI: 10.7270/Q2TT4Q10
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50040077
PNG
(5-Iodo-2,3-dihydro-benzofuran-7-carboxylic acid [1...)
Show SMILES Fc1ccc(CN2CCC[C@H]2CNC(=O)c2cc(I)cc3CCOc23)cc1
Show InChI InChI=1S/C21H22FIN2O2/c22-16-5-3-14(4-6-16)13-25-8-1-2-18(25)12-24-21(26)19-11-17(23)10-15-7-9-27-20(15)19/h3-6,10-11,18H,1-2,7-9,12-13H2,(H,24,26)/t18-/m0/s1
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0.106n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant against dopamine receptor D2 in rat


J Med Chem 36: 221-8 (1993)


Article DOI: 10.1021/jm00054a005
BindingDB Entry DOI: 10.7270/Q2TT4Q10
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007521
PNG
(5-Bromo-N-[1-(4-fluoro-benzyl)-pyrrolidin-2-ylmeth...)
Show SMILES COc1cc(Br)cc(C(=O)NC[C@@H]2CCCN2Cc2ccc(F)cc2)c1OC
Show InChI InChI=1S/C21H24BrFN2O3/c1-27-19-11-15(22)10-18(20(19)28-2)21(26)24-12-17-4-3-9-25(17)13-14-5-7-16(23)8-6-14/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3,(H,24,26)/t17-/m0/s1
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0.147n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant against dopamine receptor D2 in rat


J Med Chem 36: 221-8 (1993)


Article DOI: 10.1021/jm00054a005
BindingDB Entry DOI: 10.7270/Q2TT4Q10
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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0.390n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards Dopamine receptor D1 by displacing [125I]-FISCH radioligand in rat striatal homogenate


J Med Chem 32: 1431-5 (1989)


Article DOI: 10.1021/jm00127a005
BindingDB Entry DOI: 10.7270/Q2KD1WWT
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50012961
PNG
((-)-(S)-N-((1-ethylpyrrolidin-2-yl)methyl)-2-hydro...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(I)ccc1OC
Show InChI InChI=1S/C15H21IN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
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0.430n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant against dopamine receptor D2 in rat


J Med Chem 36: 221-8 (1993)


Article DOI: 10.1021/jm00054a005
BindingDB Entry DOI: 10.7270/Q2TT4Q10
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



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity to 5-hydroxytryptamine 1A receptor using [125I](R)-(+)-trans-8-OH-PIPAT as radioligand in rat hippocampal homogenate


J Med Chem 37: 4572-5 (1995)


Article DOI: 10.1021/jm00052a018
BindingDB Entry DOI: 10.7270/Q24X58F6
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50038278
PNG
(6-[((E)-3-Iodo-allyl)-propyl-amino]-5,6,7,8-tetrah...)
Show SMILES CCCN(C\C=C\I)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C16H22INO/c1-2-10-18(11-4-9-17)14-7-8-15-13(12-14)5-3-6-16(15)19/h3-6,9,14,19H,2,7-8,10-12H2,1H3/b9-4+
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0.990n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against Dopamine D3 receptor in infected Sf9 cells


J Med Chem 37: 4245-50 (1995)


Article DOI: 10.1021/jm00050a021
BindingDB Entry DOI: 10.7270/Q2S46R0H
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50005118
PNG
((S)-3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant against dopamine receptor D2 in rat


J Med Chem 36: 221-8 (1993)


Article DOI: 10.1021/jm00054a005
BindingDB Entry DOI: 10.7270/Q2TT4Q10
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50020580
PNG
(1-[2-(3-Azido-phenyl)-ethyl]-4-(3-trifluoromethyl-...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCc2cccc(c2)N=[N+]=[N-])CC1
Show InChI InChI=1S/C19H20F3N5/c20-19(21,22)16-4-2-6-18(14-16)27-11-9-26(10-12-27)8-7-15-3-1-5-17(13-15)24-25-23/h1-6,13-14H,7-12H2
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1.5n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the inhibition of [3H]-DPAT (1 nM) binding to 5-HT1A receptor from bovine hippocampus


J Med Chem 32: 543-7 (1989)


Article DOI: 10.1021/jm00123a006
BindingDB Entry DOI: 10.7270/Q2H41QD3
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50040082
PNG
(CHEMBL307023 | N-(1-Ethyl-pyrrolidin-2-ylmethyl)-2...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(I)c(ccc1OC)S(N)(=O)=O
Show InChI InChI=1S/C15H22IN3O4S/c1-3-19-8-4-5-10(19)9-18-15(20)13-11(23-2)6-7-12(14(13)16)24(17,21)22/h6-7,10H,3-5,8-9H2,1-2H3,(H,18,20)(H2,17,21,22)/t10-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant against dopamine receptor D2 in rat


J Med Chem 36: 221-8 (1993)


Article DOI: 10.1021/jm00054a005
BindingDB Entry DOI: 10.7270/Q2TT4Q10
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50038281
PNG
(7-((E)-3-Iodo-allylamino)-5,6,7,8-tetrahydro-napht...)
Show SMILES Oc1ccc2CCC(Cc2c1)NC\C=C\I
Show InChI InChI=1S/C13H16INO/c14-6-1-7-15-12-4-2-10-3-5-13(16)9-11(10)8-12/h1,3,5-6,9,12,15-16H,2,4,7-8H2/b6-1+
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1.68n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
tested for the inhibitory activity against sigma receptor rat cerebellar


J Med Chem 37: 4245-50 (1995)


Article DOI: 10.1021/jm00050a021
BindingDB Entry DOI: 10.7270/Q2S46R0H
More data for this
Ligand-Target Pair
Dopamine receptors; D1 & D2


(RAT)
BDBM50016794
PNG
(8-Chloro-5-(4-iodo-phenyl)-3-methyl-2,3,4,5-tetrah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccc(I)cc1
Show InChI InChI=1S/C17H17ClINO/c1-20-7-6-12-8-16(18)17(21)9-14(12)15(10-20)11-2-4-13(19)5-3-11/h2-5,8-9,15,21H,6-7,10H2,1H3
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1.70n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards Dopamine receptor D1 by displacing [125I]-FISCH radioligand in rat striatal homogenate


J Med Chem 32: 1431-5 (1989)


Article DOI: 10.1021/jm00127a005
BindingDB Entry DOI: 10.7270/Q2KD1WWT
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
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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1.85n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against Dopamine D3 receptor in infected Sf9 cells


J Med Chem 37: 4245-50 (1995)


Article DOI: 10.1021/jm00050a021
BindingDB Entry DOI: 10.7270/Q2S46R0H
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50035512
PNG
(CHEMBL140697 | N-{2-[4-(2-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)c2ccc(C)cc2)c2ccccn2)CC1
Show InChI InChI=1S/C26H30N4O2/c1-21-10-12-22(13-11-21)26(31)30(25-9-5-6-14-27-25)20-17-28-15-18-29(19-16-28)23-7-3-4-8-24(23)32-2/h3-14H,15-20H2,1-2H3
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2.20n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity to 5-hydroxytryptamine 1A receptor in rat hippocampal homogenate by [125I](R)-(+)-trans-8-OH-PIPAT displacement.


J Med Chem 37: 4572-5 (1995)


Article DOI: 10.1021/jm00052a018
BindingDB Entry DOI: 10.7270/Q24X58F6
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50038280
PNG
(6-[((E)-3-Iodo-allyl)-propyl-amino]-5,6,7,8-tetrah...)
Show SMILES CCCN(C\C=C\I)C1CCc2cc(O)ccc2C1
Show InChI InChI=1S/C16H22INO/c1-2-9-18(10-3-8-17)15-6-4-14-12-16(19)7-5-13(14)11-15/h3,5,7-8,12,15,19H,2,4,6,9-11H2,1H3/b8-3+
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2.20n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against Dopamine D3 receptor in infected Sf9 cells


J Med Chem 37: 4245-50 (1995)


Article DOI: 10.1021/jm00050a021
BindingDB Entry DOI: 10.7270/Q2S46R0H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50020580
PNG
(1-[2-(3-Azido-phenyl)-ethyl]-4-(3-trifluoromethyl-...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCc2cccc(c2)N=[N+]=[N-])CC1
Show InChI InChI=1S/C19H20F3N5/c20-19(21,22)16-4-2-6-18(14-16)27-11-9-26(10-12-27)8-7-15-3-1-5-17(13-15)24-25-23/h1-6,13-14H,7-12H2
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2.5n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the inhibition of [3H]-5-HT (2 nM) binding to 5-hydroxytryptamine 1A receptor from bovine hippocampus


J Med Chem 32: 543-7 (1989)


Article DOI: 10.1021/jm00123a006
BindingDB Entry DOI: 10.7270/Q2H41QD3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50035515
PNG
(CHEMBL410521 | N-{2-[4-(2-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)c2ccccc2)c2ccccn2)CC1
Show InChI InChI=1S/C25H28N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h2-14H,15-20H2,1H3
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2.5n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity to 5-hydroxytryptamine 1A receptor in rat hippocampal homogenate by [125I](R)-(+)-trans-8-OH-PIPAT displacement.


J Med Chem 37: 4572-5 (1995)


Article DOI: 10.1021/jm00052a018
BindingDB Entry DOI: 10.7270/Q24X58F6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50035508
PNG
(4-Iodo-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)c2ccc(I)cc2)c2ccccn2)CC1
Show InChI InChI=1S/C25H27IN4O2/c1-32-23-7-3-2-6-22(23)29-17-14-28(15-18-29)16-19-30(24-8-4-5-13-27-24)25(31)20-9-11-21(26)12-10-20/h2-13H,14-19H2,1H3
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2.60n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity to 5-hydroxytryptamine 1A receptor in rat hippocampal homogenate by [125I](R)-(+)-trans-8-OH-PIPAT displacement.


J Med Chem 37: 4572-5 (1995)


Article DOI: 10.1021/jm00052a018
BindingDB Entry DOI: 10.7270/Q24X58F6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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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2.80n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the inhibition of [3H]-5-HT (2 nM) binding to 5-hydroxytryptamine 1A receptor from bovine hippocampus


J Med Chem 32: 543-7 (1989)


Article DOI: 10.1021/jm00123a006
BindingDB Entry DOI: 10.7270/Q2H41QD3
More data for this
Ligand-Target Pair
D(3) 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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2.90n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against Dopamine D3 receptor in infected Sf9 cells


J Med Chem 37: 4245-50 (1995)


Article DOI: 10.1021/jm00050a021
BindingDB Entry DOI: 10.7270/Q2S46R0H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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



University of Pennsylvania

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the inhibition of [3H]-DPAT (1 nM) binding to 5-hydroxytryptamine 1A receptor from bovine hippocampus


J Med Chem 32: 543-7 (1989)


Article DOI: 10.1021/jm00123a006
BindingDB Entry DOI: 10.7270/Q2H41QD3
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50012967
PNG
(CHEMBL49897 | N-(1-Ethyl-pyrrolidin-2-ylmethyl)-5-...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(I)ccc1OC
Show InChI InChI=1S/C15H21IN2O2/c1-3-18-8-4-5-12(18)10-17-15(19)13-9-11(16)6-7-14(13)20-2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,17,19)/t12-/m0/s1
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3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant against dopamine receptor D2 in rat


J Med Chem 36: 221-8 (1993)


Article DOI: 10.1021/jm00054a005
BindingDB Entry DOI: 10.7270/Q2TT4Q10
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50035513
PNG
(4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)cc2)c2ccccn2)CC1
Show InChI InChI=1S/C25H27FN4O2/c1-32-23-7-3-2-6-22(23)29-17-14-28(15-18-29)16-19-30(24-8-4-5-13-27-24)25(31)20-9-11-21(26)12-10-20/h2-13H,14-19H2,1H3
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3.20n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity to 5-hydroxytryptamine 1A receptor in rat hippocampal homogenate by [125I](R)-(+)-trans-8-OH-PIPAT displacement.


J Med Chem 37: 4572-5 (1995)


Article DOI: 10.1021/jm00052a018
BindingDB Entry DOI: 10.7270/Q24X58F6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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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3.20n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against sigma receptor rat cerebellar


J Med Chem 37: 4245-50 (1995)


Article DOI: 10.1021/jm00050a021
BindingDB Entry DOI: 10.7270/Q2S46R0H
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50035510
PNG
(4-Chloromethyl-N-{2-[4-(2-methoxy-phenyl)-piperazi...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)c2ccc(CCl)cc2)c2ccccn2)CC1
Show InChI InChI=1S/C26H29ClN4O2/c1-33-24-7-3-2-6-23(24)30-17-14-29(15-18-30)16-19-31(25-8-4-5-13-28-25)26(32)22-11-9-21(20-27)10-12-22/h2-13H,14-20H2,1H3
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3.5n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity to 5-hydroxytryptamine 1A receptor in rat hippocampal homogenate by [125I](R)-(+)-trans-8-OH-PIPAT displacement.


J Med Chem 37: 4572-5 (1995)


Article DOI: 10.1021/jm00052a018
BindingDB Entry DOI: 10.7270/Q24X58F6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50038278
PNG
(6-[((E)-3-Iodo-allyl)-propyl-amino]-5,6,7,8-tetrah...)
Show SMILES CCCN(C\C=C\I)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C16H22INO/c1-2-10-18(11-4-9-17)14-7-8-15-13(12-14)5-3-6-16(15)19/h3-6,9,14,19H,2,7-8,10-12H2,1H3/b9-4+
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3.60n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against D2H (high-affinity states) receptor in infected HEK 293 cells.


J Med Chem 37: 4245-50 (1995)


Article DOI: 10.1021/jm00050a021
BindingDB Entry DOI: 10.7270/Q2S46R0H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50020579
PNG
(3-{2-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...)
Show SMILES Nc1cccc(CCN2CCN(CC2)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C19H22F3N3/c20-19(21,22)16-4-2-6-18(14-16)25-11-9-24(10-12-25)8-7-15-3-1-5-17(23)13-15/h1-6,13-14H,7-12,23H2
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4n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the inhibition of [3H]-5-HT (2 nM) binding to 5-HT1A receptor from bovine hippocampus


J Med Chem 32: 543-7 (1989)


Article DOI: 10.1021/jm00123a006
BindingDB Entry DOI: 10.7270/Q2H41QD3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50020579
PNG
(3-{2-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...)
Show SMILES Nc1cccc(CCN2CCN(CC2)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C19H22F3N3/c20-19(21,22)16-4-2-6-18(14-16)25-11-9-24(10-12-25)8-7-15-3-1-5-17(23)13-15/h1-6,13-14H,7-12,23H2
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5n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the inhibition of [3H]-DPAT (1 nM) binding to 5-HT1A receptor from bovine hippocampus


J Med Chem 32: 543-7 (1989)


Article DOI: 10.1021/jm00123a006
BindingDB Entry DOI: 10.7270/Q2H41QD3
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
Tested for the inhibitory activity against 5-hydroxytryptamine 1A receptor in rat hippocampal


J Med Chem 37: 4245-50 (1995)


Article DOI: 10.1021/jm00050a021
BindingDB Entry DOI: 10.7270/Q2S46R0H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
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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6.60n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against D2H (high-affinity states) receptor in infected HEK 293 cells.


J Med Chem 37: 4245-50 (1995)


Article DOI: 10.1021/jm00050a021
BindingDB Entry DOI: 10.7270/Q2S46R0H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50038279
PNG
(3-[((E)-3-Iodo-allyl)-propyl-amino]-chroman-8-ol |...)
Show SMILES CCCN(C\C=C\I)C1COc2c(O)cccc2C1
Show InChI InChI=1S/C15H20INO2/c1-2-8-17(9-4-7-16)13-10-12-5-3-6-14(18)15(12)19-11-13/h3-7,13,18H,2,8-11H2,1H3/b7-4+
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6.69n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against Dopamine D3 receptor in infected Sf9 cells


J Med Chem 37: 4245-50 (1995)


Article DOI: 10.1021/jm00050a021
BindingDB Entry DOI: 10.7270/Q2S46R0H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50055824
PNG
(2-{[(2R,3S)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bic...)
Show SMILES CN1C2CCC1[C@@H](CN(CCS)CCNCCS)[C@H](C2)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H34ClN3S2/c1-24-18-6-7-21(24)20(15-25(11-13-27)10-8-23-9-12-26)19(14-18)16-2-4-17(22)5-3-16/h2-5,18-21,23,26-27H,6-15H2,1H3/t18?,19-,20+,21?/m1/s1
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7n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity to Dopamine transporter in rat striatal homogenates using [125I]-IPT20 as the ligand


J Med Chem 40: 9-17 (1997)


Article DOI: 10.1021/jm960532j
BindingDB Entry DOI: 10.7270/Q2WM1CHJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50035518
PNG
(4-Ethyl-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES CCc1ccc(cc1)C(=O)N(CCN1CCN(CC1)c1ccccc1OC)c1ccccn1
Show InChI InChI=1S/C27H32N4O2/c1-3-22-11-13-23(14-12-22)27(32)31(26-10-6-7-15-28-26)21-18-29-16-19-30(20-17-29)24-8-4-5-9-25(24)33-2/h4-15H,3,16-21H2,1-2H3
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9.30n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity to 5-hydroxytryptamine 1A receptor in rat hippocampal homogenate by [125I](R)-(+)-trans-8-OH-PIPAT displacement.


J Med Chem 37: 4572-5 (1995)


Article DOI: 10.1021/jm00052a018
BindingDB Entry DOI: 10.7270/Q24X58F6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50038280
PNG
(6-[((E)-3-Iodo-allyl)-propyl-amino]-5,6,7,8-tetrah...)
Show SMILES CCCN(C\C=C\I)C1CCc2cc(O)ccc2C1
Show InChI InChI=1S/C16H22INO/c1-2-9-18(10-3-8-17)15-6-4-14-12-16(19)7-5-13(14)11-15/h3,5,7-8,12,15,19H,2,4,6,9-11H2,1H3/b8-3+
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9.70n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against D2H (high-affinity states) receptor in infected HEK 293 cells.


J Med Chem 37: 4245-50 (1995)


Article DOI: 10.1021/jm00050a021
BindingDB Entry DOI: 10.7270/Q2S46R0H
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50035525
PNG
(4-Amino-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)c2ccc(N)cc2)c2ccccn2)CC1
Show InChI InChI=1S/C25H29N5O2/c1-32-23-7-3-2-6-22(23)29-17-14-28(15-18-29)16-19-30(24-8-4-5-13-27-24)25(31)20-9-11-21(26)12-10-20/h2-13H,14-19,26H2,1H3
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10n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity to 5-hydroxytryptamine 1A receptor in rat hippocampal homogenate by [125I](R)-(+)-trans-8-OH-PIPAT displacement.


J Med Chem 37: 4572-5 (1995)


Article DOI: 10.1021/jm00052a018
BindingDB Entry DOI: 10.7270/Q24X58F6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50035514
PNG
(CHEMBL142082 | N-{2-[4-(2-Methoxy-phenyl)-piperazi...)
Show SMILES CCCc1ccc(cc1)C(=O)N(CCN1CCN(CC1)c1ccccc1OC)c1ccccn1
Show InChI InChI=1S/C28H34N4O2/c1-3-8-23-12-14-24(15-13-23)28(33)32(27-11-6-7-16-29-27)22-19-30-17-20-31(21-18-30)25-9-4-5-10-26(25)34-2/h4-7,9-16H,3,8,17-22H2,1-2H3
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10n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity to 5-hydroxytryptamine 1A receptor in rat hippocampal homogenate by [125I](R)-(+)-trans-8-OH-PIPAT displacement.


J Med Chem 37: 4572-5 (1995)


Article DOI: 10.1021/jm00052a018
BindingDB Entry DOI: 10.7270/Q24X58F6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50038279
PNG
(3-[((E)-3-Iodo-allyl)-propyl-amino]-chroman-8-ol |...)
Show SMILES CCCN(C\C=C\I)C1COc2c(O)cccc2C1
Show InChI InChI=1S/C15H20INO2/c1-2-8-17(9-4-7-16)13-10-12-5-3-6-14(18)15(12)19-11-13/h3-7,13,18H,2,8-11H2,1H3/b7-4+
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11n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against D2H (high-affinity states) receptor in infected HEK 293 cells.


J Med Chem 37: 4245-50 (1995)


Article DOI: 10.1021/jm00050a021
BindingDB Entry DOI: 10.7270/Q2S46R0H
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50035524
PNG
(4-Butyl-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES CCCCc1ccc(cc1)C(=O)N(CCN1CCN(CC1)c1ccccc1OC)c1ccccn1
Show InChI InChI=1S/C29H36N4O2/c1-3-4-9-24-13-15-25(16-14-24)29(34)33(28-12-7-8-17-30-28)23-20-31-18-21-32(22-19-31)26-10-5-6-11-27(26)35-2/h5-8,10-17H,3-4,9,18-23H2,1-2H3
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13n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity to 5-hydroxytryptamine 1A receptor in rat hippocampal homogenate by [125I](R)-(+)-trans-8-OH-PIPAT displacement.


J Med Chem 37: 4572-5 (1995)


Article DOI: 10.1021/jm00052a018
BindingDB Entry DOI: 10.7270/Q24X58F6
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50016793
PNG
(8-Iodo-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES CN1CCc2cc(I)c(O)cc2[C@H](C1)c1ccccc1
Show InChI InChI=1S/C17H18INO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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13n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards Dopamine receptor D1 by displacing [125I]-FISCH radioligand in rat striatal homogenate


J Med Chem 32: 1431-5 (1989)


Article DOI: 10.1021/jm00127a005
BindingDB Entry DOI: 10.7270/Q2KD1WWT
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50040078
PNG
(CHEMBL305844 | N-(1-Ethyl-pyrrolidin-2-ylmethyl)-2...)
Show SMILES CCN1CCC[C@@H]1CNC(=O)c1cccc(OC)c1OCCF
Show InChI InChI=1S/C17H25FN2O3/c1-3-20-10-5-6-13(20)12-19-17(21)14-7-4-8-15(22-2)16(14)23-11-9-18/h4,7-8,13H,3,5-6,9-12H2,1-2H3,(H,19,21)/t13-/m1/s1
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13n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant against dopamine receptor D2 in rat


J Med Chem 36: 221-8 (1993)


Article DOI: 10.1021/jm00054a005
BindingDB Entry DOI: 10.7270/Q2TT4Q10
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50055825
PNG
(CHEMBL295441 | Rhenium Compound)
Show SMILES CN1C2CCC1[C@@H](CN1CCS[Re]3(=O)SCCN3CC1)[C@H](C2)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H33ClN3S2.O.Re/c1-24-18-6-7-21(24)20(15-25(11-13-27)10-8-23-9-12-26)19(14-18)16-2-4-17(22)5-3-16;;/h2-5,18-21,26-27H,6-15H2,1H3;;/q-1;;+4/p-2/t18?,19-,20+,21?;;/m1../s1
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14n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards dopamine transporter using [125I]-IPT20 as radioligand in rat striatal homogenates


J Med Chem 40: 9-17 (1997)


Article DOI: 10.1021/jm960532j
BindingDB Entry DOI: 10.7270/Q2WM1CHJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50035511
PNG
(CHEMBL139869 | N-{2-[4-(2-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)c2cccc(C)c2)c2ccccn2)CC1
Show InChI InChI=1S/C26H30N4O2/c1-21-8-7-9-22(20-21)26(31)30(25-12-5-6-13-27-25)19-16-28-14-17-29(18-15-28)23-10-3-4-11-24(23)32-2/h3-13,20H,14-19H2,1-2H3
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16n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity to 5-hydroxytryptamine 1A receptor in rat hippocampal homogenate by [125I](R)-(+)-trans-8-OH-PIPAT displacement.


J Med Chem 37: 4572-5 (1995)


Article DOI: 10.1021/jm00052a018
BindingDB Entry DOI: 10.7270/Q24X58F6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50020578
PNG
(1-[2-(4-Azido-3-iodo-phenyl)-ethyl]-4-(3-trifluoro...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCc2ccc(N=[N+]=[N-])c(I)c2)CC1
Show InChI InChI=1S/C19H19F3IN5/c20-19(21,22)15-2-1-3-16(13-15)28-10-8-27(9-11-28)7-6-14-4-5-18(25-26-24)17(23)12-14/h1-5,12-13H,6-11H2
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18n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the inhibition of [3H]-5-HT (2 nM) binding to 5-HT1A receptor from bovine hippocampus


J Med Chem 32: 543-7 (1989)


Article DOI: 10.1021/jm00123a006
BindingDB Entry DOI: 10.7270/Q2H41QD3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50035516
PNG
(4-Amino-3-iodo-N-{2-[4-(2-methoxy-phenyl)-piperazi...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)c2ccc(N)c(I)c2)c2ccccn2)CC1
Show InChI InChI=1S/C25H28IN5O2/c1-33-23-7-3-2-6-22(23)30-15-12-29(13-16-30)14-17-31(24-8-4-5-11-28-24)25(32)19-9-10-21(27)20(26)18-19/h2-11,18H,12-17,27H2,1H3
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18n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity to 5-hydroxytryptamine 1A receptor in rat hippocampal homogenate by [125I](R)-(+)-trans-8-OH-PIPAT displacement.


J Med Chem 37: 4572-5 (1995)


Article DOI: 10.1021/jm00052a018
BindingDB Entry DOI: 10.7270/Q24X58F6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50020581
PNG
(2-Iodo-4-{2-[4-(3-trifluoromethyl-phenyl)-piperazi...)
Show SMILES Nc1ccc(CCN2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1I
Show InChI InChI=1S/C19H21F3IN3/c20-19(21,22)15-2-1-3-16(13-15)26-10-8-25(9-11-26)7-6-14-4-5-18(24)17(23)12-14/h1-5,12-13H,6-11,24H2
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19n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the inhibition of [3H]-5-HT (2 nM) binding to 5-hydroxytryptamine 1A receptor from bovine hippocampus


J Med Chem 32: 543-7 (1989)


Article DOI: 10.1021/jm00123a006
BindingDB Entry DOI: 10.7270/Q2H41QD3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50020581
PNG
(2-Iodo-4-{2-[4-(3-trifluoromethyl-phenyl)-piperazi...)
Show SMILES Nc1ccc(CCN2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1I
Show InChI InChI=1S/C19H21F3IN3/c20-19(21,22)15-2-1-3-16(13-15)26-10-8-25(9-11-26)7-6-14-4-5-18(24)17(23)12-14/h1-5,12-13H,6-11,24H2
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20n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the inhibition of [3H]-5-HT (2 nM) binding to 5-HT1A receptor from bovine hippocampus


J Med Chem 32: 543-7 (1989)


Article DOI: 10.1021/jm00123a006
BindingDB Entry DOI: 10.7270/Q2H41QD3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50020578
PNG
(1-[2-(4-Azido-3-iodo-phenyl)-ethyl]-4-(3-trifluoro...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCc2ccc(N=[N+]=[N-])c(I)c2)CC1
Show InChI InChI=1S/C19H19F3IN5/c20-19(21,22)15-2-1-3-16(13-15)28-10-8-27(9-11-28)7-6-14-4-5-18(25-26-24)17(23)12-14/h1-5,12-13H,6-11H2
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20n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the inhibition of [3H]-5-HT (2 nM) binding to 5-HT1A receptor from bovine hippocampus


J Med Chem 32: 543-7 (1989)


Article DOI: 10.1021/jm00123a006
BindingDB Entry DOI: 10.7270/Q2H41QD3
More data for this
Ligand-Target Pair
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