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Compile Data Set for Download or QSAR

Found 112 hits Enz. Inhib. hit(s) with all data for entry = 50036906   
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(4) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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1.20n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on the high affinity site of Dopamine receptor D4.4


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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1.80n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity on high Affinity Site of Bovine dopamine receptor D2. Tested for ability to displace the radioligand [3H]pramipexole was tested


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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5.20n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on the high affinity site of Dopamine receptor D3


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


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



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on High Affinity Site of Bovine Dopamine receptor D1. Tested for ability to displace the radioligand [3H]-SCH- 23390


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(2) dopamine receptor


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



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on high Affinity Site of Bovine Dopamine D2 Receptor. Tested for ability to displace the radioligand [3H]spiperone was te...


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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15n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on high Affinity Site of Bovine dopamine receptor D2. Tested for ability to displace the radioligand [3H]pramipexole


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50085333
PNG
(CHEMBL163087 | Dipropyl-(4-trimethylsilanylethynyl...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C[Si](C)(C)C |c:10|
Show InChI InChI=1S/C17H31NSi/c1-6-13-18(14-7-2)17-10-8-16(9-11-17)12-15-19(3,4)5/h8,17H,6-7,9-11,13-14H2,1-5H3
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16n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on relative proportion of High Affinity Site of Dopamine receptor D2L


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50085333
PNG
(CHEMBL163087 | Dipropyl-(4-trimethylsilanylethynyl...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C[Si](C)(C)C |c:10|
Show InChI InChI=1S/C17H31NSi/c1-6-13-18(14-7-2)17-10-8-16(9-11-17)12-15-19(3,4)5/h8,17H,6-7,9-11,13-14H2,1-5H3
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17n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on relative proportion of High Affinity Site of Dopamine receptor D2S


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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17n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity on High Affinity Site of Dopamine receptor D2S


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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20n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity on High Affinity Site of Dopamine receptor D2L


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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22n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on the high affinity site of Dopamine receptor D4.4


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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23n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on relative proportion of High Affinity Site of Dopamine receptor D3


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50085333
PNG
(CHEMBL163087 | Dipropyl-(4-trimethylsilanylethynyl...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C[Si](C)(C)C |c:10|
Show InChI InChI=1S/C17H31NSi/c1-6-13-18(14-7-2)17-10-8-16(9-11-17)12-15-19(3,4)5/h8,17H,6-7,9-11,13-14H2,1-5H3
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23n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on relative proportion of High Affinity Site of Dopamine receptor D3


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50085333
PNG
(CHEMBL163087 | Dipropyl-(4-trimethylsilanylethynyl...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C[Si](C)(C)C |c:10|
Show InChI InChI=1S/C17H31NSi/c1-6-13-18(14-7-2)17-10-8-16(9-11-17)12-15-19(3,4)5/h8,17H,6-7,9-11,13-14H2,1-5H3
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29n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on relative proportion of high Affinity Site of Bovine dopamine receptor D2 .Tested for ability to displace the radioliga...


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50085333
PNG
(CHEMBL163087 | Dipropyl-(4-trimethylsilanylethynyl...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C[Si](C)(C)C |c:10|
Show InChI InChI=1S/C17H31NSi/c1-6-13-18(14-7-2)17-10-8-16(9-11-17)12-15-19(3,4)5/h8,17H,6-7,9-11,13-14H2,1-5H3
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30n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on high Affinity Site of Bovine dopamine receptor D2. Tested for ability to displace the radioligand [3H]pramipexole at t...


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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34n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on relative proportion of High Affinity Site of Dopamine receptor D2S


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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34n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on relative proportion of High Affinity Site of Dopamine receptor D2S


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(BOVINE)
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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36n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on relative proportion of High Affinity Site of Bovine dopamine receptor D1. Tested for ability to displace the radioliga...


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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38n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on relative proportion of High Affinity Site of Dopamine receptor D4.4


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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38n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on relative proportion of High Affinity Site of Dopamine receptor D2L


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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40n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on relative proportion of high Affinity Site of Bovine dopamine receptor D2. Tested for ability to displace the radioliga...


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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42n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on relative proportion of High Affinity Site of Dopamine receptor D2L


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50085333
PNG
(CHEMBL163087 | Dipropyl-(4-trimethylsilanylethynyl...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C[Si](C)(C)C |c:10|
Show InChI InChI=1S/C17H31NSi/c1-6-13-18(14-7-2)17-10-8-16(9-11-17)12-15-19(3,4)5/h8,17H,6-7,9-11,13-14H2,1-5H3
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47n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on the high affinity site of Dopamine receptor D3


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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50n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on the high affinity site of Dopamine receptor D3


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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51n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on relative proportion of high Affinity Site of Bovine dopamine receptor D2. Tested for ability to displace the radioliga...


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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52n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on relative proportion of High Affinity Site of Dopamine receptor D3


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50085333
PNG
(CHEMBL163087 | Dipropyl-(4-trimethylsilanylethynyl...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C[Si](C)(C)C |c:10|
Show InChI InChI=1S/C17H31NSi/c1-6-13-18(14-7-2)17-10-8-16(9-11-17)12-15-19(3,4)5/h8,17H,6-7,9-11,13-14H2,1-5H3
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54n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on relative proportion of High Affinity Site of Dopamine receptor D4.4


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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57n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on high Affinity Site of Bovine Dopamine D2 Receptor. Tested for ability to displace the radioligand [3H]-Spiperone


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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57n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on relative proportion of High Affinity Site of Dopamine receptor D4.4


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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62n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on low Affinity Site of Dopamine receptor D4.4


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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97n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was determined in the presence of 100 micro M Gpp(NH)p for decoupling of the ternary complex of Compound to Dopamine receptor D4.4


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50085333
PNG
(CHEMBL163087 | Dipropyl-(4-trimethylsilanylethynyl...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C[Si](C)(C)C |c:10|
Show InChI InChI=1S/C17H31NSi/c1-6-13-18(14-7-2)17-10-8-16(9-11-17)12-15-19(3,4)5/h8,17H,6-7,9-11,13-14H2,1-5H3
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150n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on high Affinity Site of Bovine Dopamine D2 Receptor. Tested for ability to displace the radioligand [3H]-Spiperone


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50085333
PNG
(CHEMBL163087 | Dipropyl-(4-trimethylsilanylethynyl...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C[Si](C)(C)C |c:10|
Show InChI InChI=1S/C17H31NSi/c1-6-13-18(14-7-2)17-10-8-16(9-11-17)12-15-19(3,4)5/h8,17H,6-7,9-11,13-14H2,1-5H3
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160n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity on High Affinity Site of Dopamine receptor D2L


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50085333
PNG
(CHEMBL163087 | Dipropyl-(4-trimethylsilanylethynyl...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C[Si](C)(C)C |c:10|
Show InChI InChI=1S/C17H31NSi/c1-6-13-18(14-7-2)17-10-8-16(9-11-17)12-15-19(3,4)5/h8,17H,6-7,9-11,13-14H2,1-5H3
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160n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on the high affinity site of Dopamine receptor D4.4


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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170n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Dissociation constant of compound on one-site model Dopamine receptor D4.4


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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250n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity on High Affinity Site of Dopamine receptor D2S


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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270n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity on High Affinity Site of Dopamine receptor D2L


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
PDB

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290n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was determined in the presence of 100 micro M Gpp(NH)p for decoupling of the ternary complex of Compound to Dopamine receptor D3


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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350n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Dissociation constant of compound on one-site model Human Dopamine receptor D3


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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380n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on low Affinity Site of Dopamine receptor D4.4


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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590n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on low Affinity Site of Dopamine receptor D3


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50085333
PNG
(CHEMBL163087 | Dipropyl-(4-trimethylsilanylethynyl...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C[Si](C)(C)C |c:10|
Show InChI InChI=1S/C17H31NSi/c1-6-13-18(14-7-2)17-10-8-16(9-11-17)12-15-19(3,4)5/h8,17H,6-7,9-11,13-14H2,1-5H3
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640n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Dissociation constant of compound on one-site model Dopamine receptor D4.4


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(BOVINE)
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
PDB

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650n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on low Affinity Site of Bovine Dopamine D1 Receptor. Tested for ability to displace the radioligand [3H]-SCH- 23390 at th...


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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720n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was determined in the presence of 100 micro M Gpp(NH)p for decoupling of the ternary complex of Compound to Dopamine receptor D3


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(BOVINE)
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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750n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Dissociation constant of compound on one-site model Bovine dopamine receptor D2. Tested for ability to displace the radioligand [3H]spiperone at the ...


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50085333
PNG
(CHEMBL163087 | Dipropyl-(4-trimethylsilanylethynyl...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C[Si](C)(C)C |c:10|
Show InChI InChI=1S/C17H31NSi/c1-6-13-18(14-7-2)17-10-8-16(9-11-17)12-15-19(3,4)5/h8,17H,6-7,9-11,13-14H2,1-5H3
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820n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Dissociation constant of compound on one-site model Dopamine receptor D3


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50085333
PNG
(CHEMBL163087 | Dipropyl-(4-trimethylsilanylethynyl...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C[Si](C)(C)C |c:10|
Show InChI InChI=1S/C17H31NSi/c1-6-13-18(14-7-2)17-10-8-16(9-11-17)12-15-19(3,4)5/h8,17H,6-7,9-11,13-14H2,1-5H3
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970n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity on High Affinity Site of Dopamine receptor D2S


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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1.10E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity of Compound of Dopamine receptor D2S


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50085334
PNG
(CHEMBL165171 | [4-(3-Phenyl-1-phenylethynyl-prop-2...)
Show SMILES [#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6])-[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\C#Cc1ccccc1)C#Cc1ccccc1
Show InChI InChI=1S/C29H33N/c1-3-23-30(24-4-2)29-21-19-28(20-22-29)27(17-15-25-11-7-5-8-12-25)18-16-26-13-9-6-10-14-26/h5-14,29H,3-4,19-24H2,1-2H3
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PubMed
1.40E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on the high affinity site of Dopamine receptor D4.4


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50085332
PNG
(2-(4-Dipropylamino-cyclohexylidene)-malononitrile ...)
Show SMILES [#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6])-[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/C#N)C#N
Show InChI InChI=1S/C15H23N3/c1-3-9-18(10-4-2)15-7-5-13(6-8-15)14(11-16)12-17/h15H,3-10H2,1-2H3
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PubMed
1.60E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on the high affinity site of Dopamine receptor D3


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
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