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Compile Data Set for Download or QSAR

Found 68 hits with Last Name = 'vermeulen' and Initial = 'es'   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50123626
PNG
((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...)
Show SMILES CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1
Show InChI InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Dopamine receptor D2 expressed in CHO K1 cells was measured by its ability to displace [3H]- N-0437


J Med Chem 45: 3022-31 (2002)


BindingDB Entry DOI: 10.7270/Q2QC047Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM21392
PNG
(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)
Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
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0.120n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity at rat 5-hydroxytryptamine 7 receptor.


J Med Chem 46: 5365-74 (2003)


Article DOI: 10.1021/jm030826m
BindingDB Entry DOI: 10.7270/Q2K93B8V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50115279
PNG
(4-Propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b...)
Show SMILES CCCN1CCOC2C1CCc1ccc(O)cc21
Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3
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0.210n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Dopamine receptor D3 expressed in CHO K1 cells was measured by its ability to displace [3H]spiperone


J Med Chem 45: 3022-31 (2002)


BindingDB Entry DOI: 10.7270/Q2QC047Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50474418
PNG
(CHEMBL611472)
Show SMILES CN(C)[C@H]1CCc2c(C1)cccc2-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C22H23N/c1-23(2)18-13-14-20-17(15-18)9-6-12-22(20)21-11-5-8-16-7-3-4-10-19(16)21/h3-12,18H,13-15H2,1-2H3/t18-/m0/s1
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0.251n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity at rat 5-hydroxytryptamine 7 receptor.


J Med Chem 46: 5365-74 (2003)


Article DOI: 10.1021/jm030826m
BindingDB Entry DOI: 10.7270/Q2K93B8V
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50054067
PNG
((2R)-7-Dipropylamino-5,6,7,8-tetrahydro-naphthalen...)
Show SMILES CCCN(CCC)[C@@H]1CCc2ccc(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/t15-/m1/s1
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0.570n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Dopamine receptor D3 expressed in CHO K1 cells was measured by its ability to displace [3H]spiperone


J Med Chem 45: 3022-31 (2002)


BindingDB Entry DOI: 10.7270/Q2QC047Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(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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0.603n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity at rat 5-hydroxytryptamine 7 receptor.


J Med Chem 46: 5365-74 (2003)


Article DOI: 10.1021/jm030826m
BindingDB Entry DOI: 10.7270/Q2K93B8V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50474421
PNG
(CHEMBL609675)
Show SMILES CN(C)[C@H]1CCc2c(C1)cccc2-c1c(C)[nH]c(C)c1C |r,wU:3.2,(6.7,1.36,;5.37,.6,;4.61,1.92,;4.04,-.17,;4.04,-1.72,;2.69,-2.49,;1.35,-1.72,;1.37,-.17,;2.7,.62,;.03,.6,;-1.29,-.17,;-1.29,-1.7,;.03,-2.47,;.05,-4.02,;1.29,-4.91,;2.74,-4.44,;.81,-6.37,;-.72,-6.37,;-1.63,-7.62,;-1.2,-4.91,;-2.66,-4.44,)|
Show InChI InChI=1S/C19H26N2/c1-12-13(2)20-14(3)19(12)18-8-6-7-15-11-16(21(4)5)9-10-17(15)18/h6-8,16,20H,9-11H2,1-5H3/t16-/m0/s1
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0.832n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity at rat 5-hydroxytryptamine 7 receptor.


J Med Chem 46: 5365-74 (2003)


Article DOI: 10.1021/jm030826m
BindingDB Entry DOI: 10.7270/Q2K93B8V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(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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0.933n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity at rat 5-hydroxytryptamine 7 receptor.


J Med Chem 46: 5365-74 (2003)


Article DOI: 10.1021/jm030826m
BindingDB Entry DOI: 10.7270/Q2K93B8V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50154716
PNG
((-)-1-Methyl-4-(8-methylsulfanyl-10,11-dihydro-dib...)
Show SMILES CSc1ccc2Sc3ccccc3C[C@H](N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3/t18-/m0/s1
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1n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-HT7 receptor expressed in HEK cells


J Med Chem 47: 5451-66 (2004)


Article DOI: 10.1021/jm049743b
BindingDB Entry DOI: 10.7270/Q2TB16C9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50098551
PNG
((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r|
Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
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1n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-HT7 receptor expressed in HEK cells


J Med Chem 47: 5451-66 (2004)


Article DOI: 10.1021/jm049743b
BindingDB Entry DOI: 10.7270/Q2TB16C9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50130279
PNG
((R)-4-Methyl-1-(2-(1-toluene-3-sulfonyl)-pyrrolidi...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(C)c2)CC1
Show InChI InChI=1S/C19H30N2O2S/c1-16-8-12-20(13-9-16)14-10-18-6-4-11-21(18)24(22,23)19-7-3-5-17(2)15-19/h3,5,7,15-16,18H,4,6,8-14H2,1-2H3/t18-/m1/s1
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3n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-HT7 receptor expressed in HEK cells


J Med Chem 47: 5451-66 (2004)


Article DOI: 10.1021/jm049743b
BindingDB Entry DOI: 10.7270/Q2TB16C9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50154714
PNG
((5R,6R)-5-Methyl-6-((R)-6-methyl-5,6,6a,7-tetrahyd...)
Show SMILES CC1C=CC=C(C#N)C1c1cccc2CC3N(C)CCc4cccc(c34)-c12 |c:2,t:4|
Show InChI InChI=1S/C25H24N2/c1-16-6-3-9-19(15-26)23(16)20-10-5-8-18-14-22-25-17(12-13-27(22)2)7-4-11-21(25)24(18)20/h3-11,16,22-23H,12-14H2,1-2H3
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4n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-HT7 receptor expressed in HEK cells


J Med Chem 47: 5451-66 (2004)


Article DOI: 10.1021/jm049743b
BindingDB Entry DOI: 10.7270/Q2TB16C9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50123626
PNG
((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...)
Show SMILES CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1
Show InChI InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1
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4n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Dopamine receptor D3 expressed in CHO K1 cells was measured by its ability to displace [3H]spiperone


J Med Chem 45: 3022-31 (2002)


BindingDB Entry DOI: 10.7270/Q2QC047Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50115279
PNG
(4-Propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b...)
Show SMILES CCCN1CCOC2C1CCc1ccc(O)cc21
Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3
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6.24n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Dopamine receptor D2 expressed in CHO K1 cells was measured by its ability to displace [3H]- N-0437


J Med Chem 45: 3022-31 (2002)


BindingDB Entry DOI: 10.7270/Q2QC047Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50024206
PNG
(3-[2-(dimethylamino)ethyl]-1H-indol-5-ol | 3-[2-(d...)
Show SMILES CN(C)CCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3
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7.90n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity at rat 5-hydroxytryptamine 7 receptor.


J Med Chem 46: 5365-74 (2003)


Article DOI: 10.1021/jm030826m
BindingDB Entry DOI: 10.7270/Q2K93B8V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(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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9.5n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity at rat 5-hydroxytryptamine 7 receptor.


J Med Chem 46: 5365-74 (2003)


Article DOI: 10.1021/jm030826m
BindingDB Entry DOI: 10.7270/Q2K93B8V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50130278
PNG
((R)-4-Methyl-1-(2-(1-(naphthalene-1-sulfonyl)-pyrr...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
Show InChI InChI=1S/C22H30N2O2S/c1-18-11-15-23(16-12-18)17-13-20-8-5-14-24(20)27(25,26)22-10-4-7-19-6-2-3-9-21(19)22/h2-4,6-7,9-10,18,20H,5,8,11-17H2,1H3/t20-/m1/s1
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10n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-HT7 receptor expressed in HEK cells


J Med Chem 47: 5451-66 (2004)


Article DOI: 10.1021/jm049743b
BindingDB Entry DOI: 10.7270/Q2TB16C9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50154706
PNG
(CHEMBL187764 | N-Ethyl-N-[3-(6-methoxy-3,4-dihydro...)
Show SMILES CCN(CCCN1CCc2cc(OC)ccc2C1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C22H30N2O3S/c1-4-24(28(25,26)22-10-6-18(2)7-11-22)14-5-13-23-15-12-19-16-21(27-3)9-8-20(19)17-23/h6-11,16H,4-5,12-15,17H2,1-3H3
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11n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-HT7 receptor expressed in HEK cells


J Med Chem 47: 5451-66 (2004)


Article DOI: 10.1021/jm049743b
BindingDB Entry DOI: 10.7270/Q2TB16C9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50115283
PNG
(2-Phenyl-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naph...)
Show SMILES CCCN1CC(OC2C1CCc1ccc(O)cc21)c1ccccc1
Show InChI InChI=1S/C21H25NO2/c1-2-12-22-14-20(16-6-4-3-5-7-16)24-21-18-13-17(23)10-8-15(18)9-11-19(21)22/h3-8,10,13,19-21,23H,2,9,11-12,14H2,1H3
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12n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Dopamine receptor D3 expressed in CHO K1 cells was measured by its ability to displace [3H]spiperone


J Med Chem 45: 3022-31 (2002)


BindingDB Entry DOI: 10.7270/Q2QC047Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50130287
PNG
((4,5-Dihydro-1H-imidazol-2-yl)-(2-methyl-biphenyl-...)
Show SMILES [#6]-c1c(cccc1-c1ccccc1)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C16H17N3/c1-12-14(13-6-3-2-4-7-13)8-5-9-15(12)19-16-17-10-11-18-16/h2-9H,10-11H2,1H3,(H2,17,18,19)
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16n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity at rat 5-hydroxytryptamine 7 receptor.


J Med Chem 46: 5365-74 (2003)


Article DOI: 10.1021/jm030826m
BindingDB Entry DOI: 10.7270/Q2K93B8V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50007407
PNG
(1-NP | 1-Naphthalen-1-yl-piperazine | 4-Naphthalen...)
Show SMILES C1CN(CCN1)c1cccc2ccccc12
Show InChI InChI=1S/C14H16N2/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16/h1-7,15H,8-11H2
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18n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity at rat 5-hydroxytryptamine 7 receptor.


J Med Chem 46: 5365-74 (2003)


Article DOI: 10.1021/jm030826m
BindingDB Entry DOI: 10.7270/Q2K93B8V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50154711
PNG
(CHEMBL364124 | N-Ethyl-N-{3-[4-(2-methoxy-phenyl)-...)
Show SMILES CCN(CCCN1CCN(CC1)c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H33N3O3S/c1-4-26(30(27,28)21-12-10-20(2)11-13-21)15-7-14-24-16-18-25(19-17-24)22-8-5-6-9-23(22)29-3/h5-6,8-13H,4,7,14-19H2,1-3H3
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19n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-HT7 receptor expressed in HEK cells


J Med Chem 47: 5451-66 (2004)


Article DOI: 10.1021/jm049743b
BindingDB Entry DOI: 10.7270/Q2TB16C9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50154712
PNG
(CHEMBL184310 | N-Ethyl-4-methoxy-N-[3-(6-methoxy-3...)
Show SMILES CCN(CCCN1CCc2cc(OC)ccc2C1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C22H30N2O4S/c1-4-24(29(25,26)22-10-8-20(27-2)9-11-22)14-5-13-23-15-12-18-16-21(28-3)7-6-19(18)17-23/h6-11,16H,4-5,12-15,17H2,1-3H3
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19n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-HT7 receptor expressed in HEK cells


J Med Chem 47: 5451-66 (2004)


Article DOI: 10.1021/jm049743b
BindingDB Entry DOI: 10.7270/Q2TB16C9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(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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20n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity at rat 5-hydroxytryptamine 7 receptor.


J Med Chem 46: 5365-74 (2003)


Article DOI: 10.1021/jm030826m
BindingDB Entry DOI: 10.7270/Q2K93B8V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50115282
PNG
(CHEMBL103622 | Dipropyl-(4,5,6,7-tetrahydro-benzo[...)
Show SMILES CCCN(CCC)C1CCc2sccc2C1
Show InChI InChI=1S/C14H23NS/c1-3-8-15(9-4-2)13-5-6-14-12(11-13)7-10-16-14/h7,10,13H,3-6,8-9,11H2,1-2H3
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20n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Dopamine receptor D2 expressed in CHO K1 cells was measured by its ability to displace [3H]- N-0437


J Med Chem 45: 3022-31 (2002)


BindingDB Entry DOI: 10.7270/Q2QC047Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50154707
PNG
((1R,6S)-5-Methyl-6-((S)-6-methyl-5,6,6a,7-tetrahyd...)
Show SMILES CN1CCc2cccc-3c2C1Cc1cccc(C2C(C=CC=C2C)C#N)c-31 |c:21,23|
Show InChI InChI=1S/C25H24N2/c1-16-6-3-9-19(15-26)23(16)20-10-5-8-18-14-22-25-17(12-13-27(22)2)7-4-11-21(25)24(18)20/h3-11,19,22-23H,12-14H2,1-2H3
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21n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-HT7 receptor expressed in HEK cells


J Med Chem 47: 5451-66 (2004)


Article DOI: 10.1021/jm049743b
BindingDB Entry DOI: 10.7270/Q2TB16C9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50115275
PNG
(CHEMBL103857 | Dipropyl-(4,5,6,7-tetrahydro-benzo[...)
Show SMILES CCCN(CCC)C1CCc2ccsc2C1
Show InChI InChI=1S/C14H23NS/c1-3-8-15(9-4-2)13-6-5-12-7-10-16-14(12)11-13/h7,10,13H,3-6,8-9,11H2,1-2H3
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27n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Dopamine receptor D2 expressed in CHO K1 cells was measured by its ability to displace [3H]- N-0437


J Med Chem 45: 3022-31 (2002)


BindingDB Entry DOI: 10.7270/Q2QC047Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50115275
PNG
(CHEMBL103857 | Dipropyl-(4,5,6,7-tetrahydro-benzo[...)
Show SMILES CCCN(CCC)C1CCc2ccsc2C1
Show InChI InChI=1S/C14H23NS/c1-3-8-15(9-4-2)13-6-5-12-7-10-16-14(12)11-13/h7,10,13H,3-6,8-9,11H2,1-2H3
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28n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Dopamine receptor D3 expressed in CHO K1 cells was measured by its ability to displace [3H]spiperone


J Med Chem 45: 3022-31 (2002)


BindingDB Entry DOI: 10.7270/Q2QC047Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50054067
PNG
((2R)-7-Dipropylamino-5,6,7,8-tetrahydro-naphthalen...)
Show SMILES CCCN(CCC)[C@@H]1CCc2ccc(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/t15-/m1/s1
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34n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Dopamine receptor D2 expressed in CHO K1 cells was measured by its ability to displace [3H]- N-0437


J Med Chem 45: 3022-31 (2002)


BindingDB Entry DOI: 10.7270/Q2QC047Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50030026
PNG
(((R)-8-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)...)
Show SMILES CCCN(CCC)[C@@H]1CCc2cccc(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/t15-/m1/s1
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34n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity at rat 5-hydroxytryptamine 7 receptor.


J Med Chem 46: 5365-74 (2003)


Article DOI: 10.1021/jm030826m
BindingDB Entry DOI: 10.7270/Q2K93B8V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM30707
PNG
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
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40n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity at rat 5-hydroxytryptamine 7 receptor.


J Med Chem 46: 5365-74 (2003)


Article DOI: 10.1021/jm030826m
BindingDB Entry DOI: 10.7270/Q2K93B8V
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50115282
PNG
(CHEMBL103622 | Dipropyl-(4,5,6,7-tetrahydro-benzo[...)
Show SMILES CCCN(CCC)C1CCc2sccc2C1
Show InChI InChI=1S/C14H23NS/c1-3-8-15(9-4-2)13-5-6-14-12(11-13)7-10-16-14/h7,10,13H,3-6,8-9,11H2,1-2H3
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40n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Dopamine receptor D3 expressed in CHO K1 cells was measured by its ability to displace [3H]spiperone


J Med Chem 45: 3022-31 (2002)


BindingDB Entry DOI: 10.7270/Q2QC047Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50016777
PNG
(((R)-8-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)...)
Show SMILES CCCN(CCC)[C@@H]1CCc2cccc(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/t14-/m1/s1
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46n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity at rat 5-hydroxytryptamine 7 receptor.


J Med Chem 46: 5365-74 (2003)


Article DOI: 10.1021/jm030826m
BindingDB Entry DOI: 10.7270/Q2K93B8V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50154718
PNG
(CHEMBL185762 | N-{3-[4-(2-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc(C)cc2)CC1
Show InChI InChI=1S/C21H29N3O3S/c1-18-8-10-19(11-9-18)28(25,26)22-12-5-13-23-14-16-24(17-15-23)20-6-3-4-7-21(20)27-2/h3-4,6-11,22H,5,12-17H2,1-2H3
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52n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-HT7 receptor expressed in HEK cells


J Med Chem 47: 5451-66 (2004)


Article DOI: 10.1021/jm049743b
BindingDB Entry DOI: 10.7270/Q2TB16C9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50154710
PNG
(CHEMBL188876 | N-Ethyl-N-[3-(6-methoxy-3,4-dihydro...)
Show SMILES CCN(CCCN1CCc2cc(OC)ccc2C1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H28N2O3S/c1-3-23(27(24,25)21-8-5-4-6-9-21)14-7-13-22-15-12-18-16-20(26-2)11-10-19(18)17-22/h4-6,8-11,16H,3,7,12-15,17H2,1-2H3
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54n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-HT7 receptor expressed in HEK cells


J Med Chem 47: 5451-66 (2004)


Article DOI: 10.1021/jm049743b
BindingDB Entry DOI: 10.7270/Q2TB16C9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50115280
PNG
(CHEMBL103912 | Dipropyl-(4,5,6,7-tetrahydro-benzo[...)
Show SMILES CCCN(CCC)CC1CCc2ccsc2C1
Show InChI InChI=1S/C15H25NS/c1-3-8-16(9-4-2)12-13-5-6-14-7-10-17-15(14)11-13/h7,10,13H,3-6,8-9,11-12H2,1-2H3
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60n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Dopamine receptor D3 expressed in CHO K1 cells was measured by its ability to displace [3H]spiperone


J Med Chem 45: 3022-31 (2002)


BindingDB Entry DOI: 10.7270/Q2QC047Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50154703
PNG
(CHEMBL187088 | N-{2-[4-(2-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccccc1N1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1
Show InChI InChI=1S/C20H27N3O3S/c1-17-7-9-18(10-8-17)27(24,25)21-11-12-22-13-15-23(16-14-22)19-5-3-4-6-20(19)26-2/h3-10,21H,11-16H2,1-2H3
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75n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-HT7 receptor expressed in HEK cells


J Med Chem 47: 5451-66 (2004)


Article DOI: 10.1021/jm049743b
BindingDB Entry DOI: 10.7270/Q2TB16C9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50154708
PNG
(CHEMBL364795 | N-[3-(6-Methoxy-3,4-dihydro-1H-isoq...)
Show SMILES COc1ccc2CN(CCCNS(=O)(=O)c3ccccc3)CCc2c1
Show InChI InChI=1S/C19H24N2O3S/c1-24-18-9-8-17-15-21(13-10-16(17)14-18)12-5-11-20-25(22,23)19-6-3-2-4-7-19/h2-4,6-9,14,20H,5,10-13,15H2,1H3
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75n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-HT7 receptor expressed in HEK cells


J Med Chem 47: 5451-66 (2004)


Article DOI: 10.1021/jm049743b
BindingDB Entry DOI: 10.7270/Q2TB16C9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50115272
PNG
(4-(2-Thiophen-2-yl-ethyl)-3,4,4a,5,6,10b-hexahydro...)
Show SMILES Oc1ccc2CCC3C(OCCN3CCc3cccs3)c2c1
Show InChI InChI=1S/C18H21NO2S/c20-14-5-3-13-4-6-17-18(16(13)12-14)21-10-9-19(17)8-7-15-2-1-11-22-15/h1-3,5,11-12,17-18,20H,4,6-10H2
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83n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Dopamine receptor D3 expressed in CHO K1 cells was measured by its ability to displace [3H]spiperone


J Med Chem 45: 3022-31 (2002)


BindingDB Entry DOI: 10.7270/Q2QC047Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50474420
PNG
(CHEMBL608536)
Show SMILES CCN(CC)[C@@H]1CCc2cccc(OC)c2C1 |r|
Show InChI InChI=1S/C15H23NO/c1-4-16(5-2)13-10-9-12-7-6-8-15(17-3)14(12)11-13/h6-8,13H,4-5,9-11H2,1-3H3/t13-/m1/s1
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87n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity at rat 5-hydroxytryptamine 7 receptor.


J Med Chem 46: 5365-74 (2003)


Article DOI: 10.1021/jm030826m
BindingDB Entry DOI: 10.7270/Q2K93B8V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50154705
PNG
(4-Methoxy-N-{3-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C21H29N3O4S/c1-27-18-8-10-19(11-9-18)29(25,26)22-12-5-13-23-14-16-24(17-15-23)20-6-3-4-7-21(20)28-2/h3-4,6-11,22H,5,12-17H2,1-2H3
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100n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-HT7 receptor expressed in HEK cells


J Med Chem 47: 5451-66 (2004)


Article DOI: 10.1021/jm049743b
BindingDB Entry DOI: 10.7270/Q2TB16C9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50115274
PNG
(CHEMBL105623 | Propyl-bis-(2-thiophen-3-yl-ethyl)-...)
Show SMILES CCCN(CCc1ccsc1)CCc1ccsc1
Show InChI InChI=1S/C15H21NS2/c1-2-7-16(8-3-14-5-10-17-12-14)9-4-15-6-11-18-13-15/h5-6,10-13H,2-4,7-9H2,1H3
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108n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Dopamine receptor D3 expressed in CHO K1 cells was measured by its ability to displace [3H]spiperone


J Med Chem 45: 3022-31 (2002)


BindingDB Entry DOI: 10.7270/Q2QC047Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50115276
PNG
(CHEMBL103441 | Propyl-(2-thiophen-3-yl-ethyl)-(2-t...)
Show SMILES CCCN(CCc1ccsc1)CCc1cccs1
Show InChI InChI=1S/C15H21NS2/c1-2-8-16(9-5-14-7-12-17-13-14)10-6-15-4-3-11-18-15/h3-4,7,11-13H,2,5-6,8-10H2,1H3
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117n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Dopamine receptor D3 expressed in CHO K1 cells was measured by its ability to displace [3H]spiperone


J Med Chem 45: 3022-31 (2002)


BindingDB Entry DOI: 10.7270/Q2QC047Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50474419
PNG
(CHEMBL1161324)
Show SMILES COc1cccc2CC[C@@H](N)Cc12 |r|
Show InChI InChI=1S/C11H15NO/c1-13-11-4-2-3-8-5-6-9(12)7-10(8)11/h2-4,9H,5-7,12H2,1H3/t9-/m1/s1
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123n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity at rat 5-hydroxytryptamine 7 receptor.


J Med Chem 46: 5365-74 (2003)


Article DOI: 10.1021/jm030826m
BindingDB Entry DOI: 10.7270/Q2K93B8V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50001862
PNG
((N-(o-methoxyphenyl)piperazine)1-(2-Methoxy-phenyl...)
Show SMILES COc1ccccc1N1CCNCC1
Show InChI InChI=1S/C11H16N2O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
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126n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity at rat 5-hydroxytryptamine 7 receptor.


J Med Chem 46: 5365-74 (2003)


Article DOI: 10.1021/jm030826m
BindingDB Entry DOI: 10.7270/Q2K93B8V
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50115281
PNG
(6-Propyl-4,5a,6,7,8,9a-hexahydro-5H-9-oxa-3-thia-6...)
Show SMILES CCCN1CCOC2C1CCc1sccc21
Show InChI InChI=1S/C13H19NOS/c1-2-6-14-7-8-15-13-10-5-9-16-12(10)4-3-11(13)14/h5,9,11,13H,2-4,6-8H2,1H3
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240n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Dopamine receptor D3 expressed in CHO K1 cells was measured by its ability to displace [3H]spiperone


J Med Chem 45: 3022-31 (2002)


BindingDB Entry DOI: 10.7270/Q2QC047Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50115278
PNG
(CHEMBL104135 | Dipropyl-(4,5,6,7-tetrahydro-benzo[...)
Show SMILES CCCN(CCC)CC1CCc2sccc2C1
Show InChI InChI=1S/C15H25NS/c1-3-8-16(9-4-2)12-13-5-6-15-14(11-13)7-10-17-15/h7,10,13H,3-6,8-9,11-12H2,1-2H3
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247n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Dopamine receptor D3 expressed in CHO K1 cells was measured by its ability to displace [3H]spiperone


J Med Chem 45: 3022-31 (2002)


BindingDB Entry DOI: 10.7270/Q2QC047Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50030010
PNG
(((S)-8-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)...)
Show SMILES CCCN(CCC)[C@H]1CCc2cccc(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/t15-/m0/s1
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339n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity at rat 5-hydroxytryptamine 7 receptor.


J Med Chem 46: 5365-74 (2003)


Article DOI: 10.1021/jm030826m
BindingDB Entry DOI: 10.7270/Q2K93B8V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50154704
PNG
(4-Methoxy-N-[3-(6-methoxy-3,4-dihydro-1H-isoquinol...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCCCN1CCc2cc(OC)ccc2C1
Show InChI InChI=1S/C20H26N2O4S/c1-25-18-6-8-20(9-7-18)27(23,24)21-11-3-12-22-13-10-16-14-19(26-2)5-4-17(16)15-22/h4-9,14,21H,3,10-13,15H2,1-2H3
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360n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-HT7 receptor expressed in HEK cells


J Med Chem 47: 5451-66 (2004)


Article DOI: 10.1021/jm049743b
BindingDB Entry DOI: 10.7270/Q2TB16C9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50115283
PNG
(2-Phenyl-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naph...)
Show SMILES CCCN1CC(OC2C1CCc1ccc(O)cc21)c1ccccc1
Show InChI InChI=1S/C21H25NO2/c1-2-12-22-14-20(16-6-4-3-5-7-16)24-21-18-13-17(23)10-8-15(18)9-11-19(21)22/h3-8,10,13,19-21,23H,2,9,11-12,14H2,1H3
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375n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Dopamine receptor D2 expressed in CHO K1 cells was measured by its ability to displace [3H]- N-0437


J Med Chem 45: 3022-31 (2002)


BindingDB Entry DOI: 10.7270/Q2QC047Q
More data for this
Ligand-Target Pair
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