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PubMed code 23623679

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50434696
PNG
(CHEMBL2387709)
Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)[C@@H]1CCc2ccc(N)cc2C1 |r|
Show InChI InChI=1S/C25H36N4/c1-2-12-28(25-11-9-21-8-10-23(26)19-22(21)20-25)16-13-27-14-17-29(18-15-27)24-6-4-3-5-7-24/h3-8,10,19,25H,2,9,11-18,20,26H2,1H3/t25-/m1/s1
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Article
PubMed
n/an/an/an/a 179n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2L receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillati...


Bioorg Med Chem 21: 3164-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.059
BindingDB Entry DOI: 10.7270/Q2930VKD
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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Article
PubMed
n/an/an/an/a 227n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2L receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillati...


Bioorg Med Chem 21: 3164-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.059
BindingDB Entry DOI: 10.7270/Q2930VKD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50392125
PNG
(CHEMBL2152746)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C25H34N6OS/c1-2-9-30(19-7-8-21-23(17-19)33-25(26)28-21)13-10-29-11-14-31(15-12-29)24(32)22-16-18-5-3-4-6-20(18)27-22/h3-6,16,19,27H,2,7-15,17H2,1H3,(H2,26,28)
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PubMed
n/an/an/an/a 114n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2L receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillati...


Bioorg Med Chem 21: 3164-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.059
BindingDB Entry DOI: 10.7270/Q2930VKD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50303791
PNG
((-)-(S)-N6-(2-(4-(Isoquinolin-1-yl)piperazin-1-yl)...)
Show SMILES CCCN(CCN1CCN(CC1)c1nccc2ccccc12)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C25H34N6S/c1-2-11-30(20-7-8-22-23(18-20)32-25(26)28-22)15-12-29-13-16-31(17-14-29)24-21-6-4-3-5-19(21)9-10-27-24/h3-6,9-10,20H,2,7-8,11-18H2,1H3,(H2,26,28)/t20-/m0/s1
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PubMed
n/an/an/an/a 116n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2L receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillati...


Bioorg Med Chem 21: 3164-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.059
BindingDB Entry DOI: 10.7270/Q2930VKD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%