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Compile Data Set for Download or QSAR

Found 196 hits with Last Name = 'rodenhuis' and Initial = 'n'   
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
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50020217
PNG
((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(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/t14-,15-/m1/s1
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0.210n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D3 expressed in CHO K-1 cells


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50090828
PNG
((-)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4-oxa-9-...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CSc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO2S/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for agonist binding affinity by measuring displacement of [3H]NPA from Human Dopamine receptor D2L expressed in CHO K-1 cells


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50092173
PNG
(CHEMBL325710 | N*6*,N*6*-Dipropyl-6,7-dihydro-5H-1...)
Show SMILES CCCN(CCC)C1Cc2cc3nc(N)sc3cc2C1
Show InChI InChI=1S/C16H23N3S/c1-3-5-19(6-4-2)13-7-11-9-14-15(10-12(11)8-13)20-16(17)18-14/h9-10,13H,3-8H2,1-2H3,(H2,17,18)
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1.40n/an/an/an/an/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
in vitro binding affinity was determined on human Dopamine receptor D3 expressed in chinese hamster ovary(CHO) K-1 cells using [3H]spiperone as radio...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50090829
PNG
((trans)1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4-oxa...)
Show SMILES CCCN1CCOC2C1CSc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO2S/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3
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1.60n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D3 expressed in CHO K-1 cells


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50090828
PNG
((-)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4-oxa-9-...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CSc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO2S/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1
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2.90n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D3 expressed in CHO K-1 cells


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50090832
PNG
((cis)1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4-oxa-9...)
Show SMILES CCCN1CCO[C@H]2[C@@H]1CSc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO2S/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14+/m0/s1
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3.60n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D3 expressed in CHO K-1 cells


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020217
PNG
((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(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/t14-,15-/m1/s1
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6.20n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Human Dopamine receptor D2L affinities to determine agonist activity, using [3H]spip as radioligand


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50092169
PNG
(CHEMBL118636 | N*7*,N*7*-Dipropyl-7,8-dihydro-6H-1...)
Show SMILES CCCN(CCC)C1Cc2ccc3nc(N)sc3c2C1
Show InChI InChI=1S/C16H23N3S/c1-3-7-19(8-4-2)12-9-11-5-6-14-15(13(11)10-12)20-16(17)18-14/h5-6,12H,3-4,7-10H2,1-2H3,(H2,17,18)
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11n/an/an/an/an/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
in vitro binding affinity was determined on human Dopamine receptor D3 expressed in chinese hamster ovary(CHO) K-1 cells using [3H]spiperone as radio...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50090828
PNG
((-)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4-oxa-9-...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CSc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO2S/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1
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18n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D4 expressed in CHO K-1 cells


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092173
PNG
(CHEMBL325710 | N*6*,N*6*-Dipropyl-6,7-dihydro-5H-1...)
Show SMILES CCCN(CCC)C1Cc2cc3nc(N)sc3cc2C1
Show InChI InChI=1S/C16H23N3S/c1-3-5-19(6-4-2)13-7-11-9-14-15(10-12(11)8-13)20-16(17)18-14/h9-10,13H,3-8H2,1-2H3,(H2,17,18)
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27n/an/an/an/an/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
in vitro binding affinity was determined on human Dopamine receptor D2L expressed in chinese hamster ovary(CHO) K-1 cells using [3H]NPA as radioligan...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50090834
PNG
(9-Oxo-1-propyl-2,3,4a,9,10,10a-hexahydro-1H-4-oxa-...)
Show SMILES CCCN1CCOC2C1CS(=O)c1ccc(O)cc21
Show InChI InChI=1S/C14H19NO3S/c1-2-5-15-6-7-18-14-11-8-10(16)3-4-13(11)19(17)9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3
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29n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D3 expressed in CHO K-1 cells


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090828
PNG
((-)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4-oxa-9-...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CSc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO2S/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1
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30n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for binding affinity by measuring displacement of [3H]8-OH-DPAT from rat serotonin 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
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
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50010586
PNG
((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...)
Show SMILES CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1
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42n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Human Dopamine receptor D2L affinities to determine agonist activity, using [3H]N-0437 as radioligand


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50090829
PNG
((trans)1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4-oxa...)
Show SMILES CCCN1CCOC2C1CSc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO2S/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3
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44n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D4 expressed in CHO K-1 cells


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092170
PNG
(CHEMBL116372 | N*8*,N*8*-Dipropyl-8,9-dihydro-7H-c...)
Show SMILES CCCN(CCC)C1COc2ccc3nc(N)sc3c2C1
Show InChI InChI=1S/C16H23N3OS/c1-3-7-19(8-4-2)11-9-12-14(20-10-11)6-5-13-15(12)21-16(17)18-13/h5-6,11H,3-4,7-10H2,1-2H3,(H2,17,18)
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47n/an/an/an/an/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
in vitro binding affinity was determined on human Dopamine receptor D2L expressed in chinese hamster ovary(CHO) K-1 cells using [3H]-0437 as radiolig...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50090832
PNG
((cis)1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4-oxa-9...)
Show SMILES CCCN1CCO[C@H]2[C@@H]1CSc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO2S/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14+/m0/s1
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74n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for agonist binding affinity by measuring displacement of [3H]NPA from Human Dopamine receptor D2L expressed in CHO K-1 cells


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50010586
PNG
((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...)
Show SMILES CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1
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78n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D3 expressed in CHO K-1 cells


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50010586
PNG
((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...)
Show SMILES CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1
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78n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D3 expressed in CHO K-1 cells


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
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
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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50010586
PNG
((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...)
Show SMILES CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1
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169n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D4 expressed in CHO K-1 cells


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50090832
PNG
((cis)1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4-oxa-9...)
Show SMILES CCCN1CCO[C@H]2[C@@H]1CSc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO2S/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14+/m0/s1
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193n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D4 expressed in CHO K-1 cells


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50090834
PNG
(9-Oxo-1-propyl-2,3,4a,9,10,10a-hexahydro-1H-4-oxa-...)
Show SMILES CCCN1CCOC2C1CS(=O)c1ccc(O)cc21
Show InChI InChI=1S/C14H19NO3S/c1-2-5-15-6-7-18-14-11-8-10(16)3-4-13(11)19(17)9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3
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197n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for agonist binding affinity by measuring displacement of [3H]NPA from Human Dopamine receptor D2L expressed in CHO K-1 cells


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50092173
PNG
(CHEMBL325710 | N*6*,N*6*-Dipropyl-6,7-dihydro-5H-1...)
Show SMILES CCCN(CCC)C1Cc2cc3nc(N)sc3cc2C1
Show InChI InChI=1S/C16H23N3S/c1-3-5-19(6-4-2)13-7-11-9-14-15(10-12(11)8-13)20-16(17)18-14/h9-10,13H,3-8H2,1-2H3,(H2,17,18)
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272n/an/an/an/an/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
in vitro binding affinity was determined on human Dopamine receptor D4 expressed in chinese hamster ovary(CHO) K-1 cells using [3H]spiperone as radio...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
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
D(2) 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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439n/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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092169
PNG
(CHEMBL118636 | N*7*,N*7*-Dipropyl-7,8-dihydro-6H-1...)
Show SMILES CCCN(CCC)C1Cc2ccc3nc(N)sc3c2C1
Show InChI InChI=1S/C16H23N3S/c1-3-7-19(8-4-2)12-9-11-5-6-14-15(13(11)10-12)20-16(17)18-14/h5-6,12H,3-4,7-10H2,1-2H3,(H2,17,18)
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500n/an/an/an/an/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
in vitro binding affinity was determined on human Dopamine receptor D2L expressed in chinese hamster ovary(CHO) K-1 cells using [3H]NPA as radioligan...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50092170
PNG
(CHEMBL116372 | N*8*,N*8*-Dipropyl-8,9-dihydro-7H-c...)
Show SMILES CCCN(CCC)C1COc2ccc3nc(N)sc3c2C1
Show InChI InChI=1S/C16H23N3OS/c1-3-7-19(8-4-2)11-9-12-14(20-10-11)6-5-13-15(12)21-16(17)18-13/h5-6,11H,3-4,7-10H2,1-2H3,(H2,17,18)
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510n/an/an/an/an/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
in vitro binding affinity was determined on human Dopamine receptor D3 expressed in chinese hamster ovary(CHO) K-1 cells using [3H]spiperone as radio...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50090829
PNG
((trans)1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4-oxa...)
Show SMILES CCCN1CCOC2C1CSc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO2S/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3
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533n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D2L expressed in CHO K-1 cells


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092172
PNG
(CHEMBL332677 | N*7*,N*7*-Dipropyl-7,8-dihydro-6H-c...)
Show SMILES CCCN(CCC)C1COc2c(C1)ccc1sc(N)nc21
Show InChI InChI=1S/C16H23N3OS/c1-3-7-19(8-4-2)12-9-11-5-6-13-14(15(11)20-10-12)18-16(17)21-13/h5-6,12H,3-4,7-10H2,1-2H3,(H2,17,18)
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536n/an/an/an/an/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
in vitro binding affinity was determined on human Dopamine receptor D2L expressed in chinese hamster ovary(CHO) K-1 cells using [3H]-0437 as radiolig...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
More data for this
Ligand-Target Pair
D(2) 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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630n/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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50090830
PNG
((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4-oxa-9-...)
Show SMILES CCCN1CCO[C@@H]2[C@@H]1CSc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO2S/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m0/s1
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854n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for agonist binding affinity by measuring displacement of [3H]NPA from Human Dopamine receptor D2L expressed in CHO K-1 cells


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090830
PNG
((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4-oxa-9-...)
Show SMILES CCCN1CCO[C@@H]2[C@@H]1CSc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO2S/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for binding affinity by measuring displacement of [3H]8-OH-DPAT from rat serotonin 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
D(2) 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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1.08E+3n/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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50010586
PNG
((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...)
Show SMILES CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1
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1.18E+3n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D2L expressed in CHO K-1 cells


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
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