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PubMed code 25221658

Compile data set for download or QSAR
Found 6 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
Dopamine receptor


(Homo sapiens (Human))
BDBM50026746
PNG
(CHEMBL3335471)
Show SMILES NCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(cc(c2)C(F)(F)F)C#N)CC1
Show InChI InChI=1S/C22H30F3N5O/c23-22(24,25)18-11-17(14-26)12-20(13-18)30-9-7-29(8-10-30)6-5-16-1-3-19(4-2-16)28-21(31)15-27/h11-13,16,19H,1-10,15,27H2,(H,28,31)/t16-,19-
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Article
PubMed
0.620n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D3 receptor expressed in CHO-K1 cells after 120 mins by scintillation counting analysis


ACS Med Chem Lett 5: 1010-4 (2014)


Article DOI: 10.1021/ml500201u
BindingDB Entry DOI: 10.7270/Q2CC128M
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50026747
PNG
(CHEMBL3335472)
Show SMILES NS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(cc(c2)C(F)(F)F)C#N)CC1
Show InChI InChI=1S/C20H28F3N5O2S/c21-20(22,23)17-11-16(14-24)12-19(13-17)28-9-7-27(8-10-28)6-5-15-1-3-18(4-2-15)26-31(25,29)30/h11-13,15,18,26H,1-10H2,(H2,25,29,30)/t15-,18-
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PubMed
0.670n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D3 receptor expressed in CHO-K1 cells after 120 mins by scintillation counting analysis


ACS Med Chem Lett 5: 1010-4 (2014)


Article DOI: 10.1021/ml500201u
BindingDB Entry DOI: 10.7270/Q2CC128M
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50026745
PNG
(CHEMBL3335470)
Show SMILES NC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(cc(c2)C(F)(F)F)C#N)CC1
Show InChI InChI=1S/C21H28F3N5O/c22-21(23,24)17-11-16(14-25)12-19(13-17)29-9-7-28(8-10-29)6-5-15-1-3-18(4-2-15)27-20(26)30/h11-13,15,18H,1-10H2,(H3,26,27,30)/t15-,18-
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PubMed
0.75n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D3 receptor expressed in CHO-K1 cells after 120 mins by scintillation counting analysis


ACS Med Chem Lett 5: 1010-4 (2014)


Article DOI: 10.1021/ml500201u
BindingDB Entry DOI: 10.7270/Q2CC128M
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50026746
PNG
(CHEMBL3335471)
Show SMILES NCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(cc(c2)C(F)(F)F)C#N)CC1
Show InChI InChI=1S/C22H30F3N5O/c23-22(24,25)18-11-17(14-26)12-20(13-18)30-9-7-29(8-10-30)6-5-16-1-3-19(4-2-16)28-21(31)15-27/h11-13,16,19H,1-10,15,27H2,(H,28,31)/t16-,19-
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PubMed
5.40n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2long receptor expressed in HEK293Galpha15 cells after 120 mins by scintillation counting analysis


ACS Med Chem Lett 5: 1010-4 (2014)


Article DOI: 10.1021/ml500201u
BindingDB Entry DOI: 10.7270/Q2CC128M
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50026745
PNG
(CHEMBL3335470)
Show SMILES NC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(cc(c2)C(F)(F)F)C#N)CC1
Show InChI InChI=1S/C21H28F3N5O/c22-21(23,24)17-11-16(14-25)12-19(13-17)29-9-7-28(8-10-29)6-5-15-1-3-18(4-2-15)27-20(26)30/h11-13,15,18H,1-10H2,(H3,26,27,30)/t15-,18-
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PubMed
30n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2long receptor expressed in HEK293Galpha15 cells after 120 mins by scintillation counting analysis


ACS Med Chem Lett 5: 1010-4 (2014)


Article DOI: 10.1021/ml500201u
BindingDB Entry DOI: 10.7270/Q2CC128M
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50026747
PNG
(CHEMBL3335472)
Show SMILES NS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(cc(c2)C(F)(F)F)C#N)CC1
Show InChI InChI=1S/C20H28F3N5O2S/c21-20(22,23)17-11-16(14-24)12-19(13-17)28-9-7-27(8-10-28)6-5-15-1-3-18(4-2-15)26-31(25,29)30/h11-13,15,18,26H,1-10H2,(H2,25,29,30)/t15-,18-
Reactome pathway
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Article
PubMed
37n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2long receptor expressed in HEK293Galpha15 cells after 120 mins by scintillation counting analysis


ACS Med Chem Lett 5: 1010-4 (2014)


Article DOI: 10.1021/ml500201u
BindingDB Entry DOI: 10.7270/Q2CC128M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%