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PubMed code 16290142

Compile data set for download or QSAR
Found 10 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


(Rattus norvegicus (Rat))
BDBM50177362
PNG
(CHEMBL201339 | N-(trans-4-(2-(8-methoxy-1,2,4,4a,5...)
Show SMILES COc1ccc2N3CCN(CC[C@H]4CC[C@@H](CC4)NC(=O)c4ccc5ccccc5c4)CC3CCc2c1
Show InChI InChI=1S/C32H39N3O2/c1-37-30-14-15-31-26(21-30)10-13-29-22-34(18-19-35(29)31)17-16-23-6-11-28(12-7-23)33-32(36)27-9-8-24-4-2-3-5-25(24)20-27/h2-5,8-9,14-15,20-21,23,28-29H,6-7,10-13,16-19,22H2,1H3,(H,33,36)/t23-,28-,29?
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5.10n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]PD 128907 from rat ventral striatal membrane dopamine D3-like receptor


Bioorg Med Chem Lett 16: 443-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.053
BindingDB Entry DOI: 10.7270/Q2PR7VJK
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50177366
PNG
(CHEMBL201110 | N-(trans-4-(2-(8-methoxy-1,2,4,4a,5...)
Show SMILES COc1ccc2N3CCN(CC[C@H]4CC[C@@H](CC4)NC(=O)c4ccc5ncccc5c4)CC3CCc2c1
Show InChI InChI=1S/C31H38N4O2/c1-37-28-11-13-30-24(20-28)6-10-27-21-34(17-18-35(27)30)16-14-22-4-8-26(9-5-22)33-31(36)25-7-12-29-23(19-25)3-2-15-32-29/h2-3,7,11-13,15,19-20,22,26-27H,4-6,8-10,14,16-18,21H2,1H3,(H,33,36)/t22-,26-,27?
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9.70n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]PD 128907 from rat ventral striatal membrane dopamine D3-like receptor


Bioorg Med Chem Lett 16: 443-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.053
BindingDB Entry DOI: 10.7270/Q2PR7VJK
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50177363
PNG
(CHEMBL199770 | N-(trans-4-(2-(8-methoxy-1,2,4,4a,5...)
Show SMILES COc1ccc2N3CCN(CC[C@H]4CC[C@@H](CC4)NC(=O)c4ccnc5ccccc45)CC3CCc2c1
Show InChI InChI=1S/C31H38N4O2/c1-37-26-12-13-30-23(20-26)8-11-25-21-34(18-19-35(25)30)17-15-22-6-9-24(10-7-22)33-31(36)28-14-16-32-29-5-3-2-4-27(28)29/h2-5,12-14,16,20,22,24-25H,6-11,15,17-19,21H2,1H3,(H,33,36)/t22-,24-,25?
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16n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]PD 128907 from rat ventral striatal membrane dopamine D3-like receptor


Bioorg Med Chem Lett 16: 443-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.053
BindingDB Entry DOI: 10.7270/Q2PR7VJK
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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24n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]PD 128907 from rat ventral striatal membrane dopamine D3-like receptor


Bioorg Med Chem Lett 16: 443-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.053
BindingDB Entry DOI: 10.7270/Q2PR7VJK
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50177367
PNG
(CHEMBL201702 | N-(trans-4-(2-(8-methoxy-1,2,4,4a,5...)
Show SMILES COc1ccc2N3CCN(CC[C@H]4CC[C@@H](CC4)NC(=O)c4cc5ccccc5cn4)CC3CCc2c1
Show InChI InChI=1S/C31H38N4O2/c1-37-28-12-13-30-24(18-28)8-11-27-21-34(16-17-35(27)30)15-14-22-6-9-26(10-7-22)33-31(36)29-19-23-4-2-3-5-25(23)20-32-29/h2-5,12-13,18-20,22,26-27H,6-11,14-17,21H2,1H3,(H,33,36)/t22-,26-,27?
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48n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]PD 128907 from rat ventral striatal membrane dopamine D3-like receptor


Bioorg Med Chem Lett 16: 443-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.053
BindingDB Entry DOI: 10.7270/Q2PR7VJK
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50177368
PNG
(CHEMBL373052 | N-(trans-4-(2-(8-methoxy-1,2,4,4a,5...)
Show SMILES COc1ccc2N3CCN(CC[C@H]4CC[C@@H](CC4)NC(=O)c4cnc5ccccc5c4)CC3CCc2c1
Show InChI InChI=1S/C31H38N4O2/c1-37-28-12-13-30-24(19-28)8-11-27-21-34(16-17-35(27)30)15-14-22-6-9-26(10-7-22)33-31(36)25-18-23-4-2-3-5-29(23)32-20-25/h2-5,12-13,18-20,22,26-27H,6-11,14-17,21H2,1H3,(H,33,36)/t22-,26-,27?
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51n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]PD 128907 from rat ventral striatal membrane dopamine D3-like receptor


Bioorg Med Chem Lett 16: 443-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.053
BindingDB Entry DOI: 10.7270/Q2PR7VJK
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50177365
PNG
(CHEMBL264520 | N-(trans-4-(2-(8-methoxy-1,2,4,4a,5...)
Show SMILES COc1ccc2N3CCN(CC[C@H]4CC[C@@H](CC4)NC(=O)c4cccc5cccnc45)CC3CCc2c1
Show InChI InChI=1S/C31H38N4O2/c1-37-27-13-14-29-24(20-27)9-12-26-21-34(18-19-35(26)29)17-15-22-7-10-25(11-8-22)33-31(36)28-6-2-4-23-5-3-16-32-30(23)28/h2-6,13-14,16,20,22,25-26H,7-12,15,17-19,21H2,1H3,(H,33,36)/t22-,25-,26?
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87n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]PD 128907 from rat ventral striatal membrane dopamine D3-like receptor


Bioorg Med Chem Lett 16: 443-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.053
BindingDB Entry DOI: 10.7270/Q2PR7VJK
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50177369
PNG
(CHEMBL199415 | N-(trans-4-(2-(8-methoxy-1,2,4,4a,5...)
Show SMILES COc1ccc2N3CCN(CC[C@H]4CC[C@@H](CC4)NC(=O)c4cnc5ccccc5n4)CC3CCc2c1
Show InChI InChI=1S/C30H37N5O2/c1-37-25-12-13-29-22(18-25)8-11-24-20-34(16-17-35(24)29)15-14-21-6-9-23(10-7-21)32-30(36)28-19-31-26-4-2-3-5-27(26)33-28/h2-5,12-13,18-19,21,23-24H,6-11,14-17,20H2,1H3,(H,32,36)/t21-,23-,24?
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152n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]PD 128907 from rat ventral striatal membrane dopamine D3-like receptor


Bioorg Med Chem Lett 16: 443-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.053
BindingDB Entry DOI: 10.7270/Q2PR7VJK
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50177364
PNG
(CHEMBL200183 | N-(trans-4-(2-(8-methoxy-1,2,4,4a,5...)
Show SMILES COc1ccc2N3CCN(CC[C@H]4CC[C@@H](CC4)NC(=O)c4ccc5ccccc5n4)CC3CCc2c1
Show InChI InChI=1S/C31H38N4O2/c1-37-27-13-15-30-24(20-27)8-12-26-21-34(18-19-35(26)30)17-16-22-6-10-25(11-7-22)32-31(36)29-14-9-23-4-2-3-5-28(23)33-29/h2-5,9,13-15,20,22,25-26H,6-8,10-12,16-19,21H2,1H3,(H,32,36)/t22-,25-,26?
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183n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]PD 128907 from rat ventral striatal membrane dopamine D3-like receptor


Bioorg Med Chem Lett 16: 443-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.053
BindingDB Entry DOI: 10.7270/Q2PR7VJK
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50162869
PNG
(CHEMBL179757 | N-(4-(1,2,4,4a,5,6-hexahydropyrazin...)
Show SMILES O=C(NCCCCN1CCN2C(CCc3ccccc23)C1)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H31N3O/c31-27(24-12-11-21-7-1-2-9-23(21)19-24)28-15-5-6-16-29-17-18-30-25(20-29)14-13-22-8-3-4-10-26(22)30/h1-4,7-12,19,25H,5-6,13-18,20H2,(H,28,31)
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244n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]PD 128907 from rat ventral striatal membrane dopamine D3-like receptor


Bioorg Med Chem Lett 16: 443-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.053
BindingDB Entry DOI: 10.7270/Q2PR7VJK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%