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Compile Data Set for Download or QSAR

Found 20 hits with Last Name = 'garcia' and Initial = 'eg'   
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50342720
PNG
((R)-N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)-3-...)
Show SMILES O[C@H](CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C23H26Cl2N4O2/c24-18-5-3-7-21(22(18)25)29-12-10-28(11-13-29)15-17(30)8-9-26-23(31)20-14-16-4-1-2-6-19(16)27-20/h1-7,14,17,27,30H,8-13,15H2,(H,26,31)/t17-/m1/s1
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0.530n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in human HEK293 cell membrane for 1 hr by liquid scintillation counti...


ACS Med Chem Lett 5: 647-51 (2014)


Article DOI: 10.1021/ml500006v
BindingDB Entry DOI: 10.7270/Q2QC053B
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM123850
PNG
(US8748608, 34 | US8748608, 34 Enantiomer A | US874...)
Show SMILES OC(CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H26Cl2N4O2/c24-18-5-3-7-21(22(18)25)29-12-10-28(11-13-29)15-17(30)8-9-26-23(31)20-14-16-4-1-2-6-19(16)27-20/h1-7,14,17,27,30H,8-13,15H2,(H,26,31)
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1.90n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in human HEK293 cell membrane for 1 hr by liquid scintillation counti...


ACS Med Chem Lett 5: 647-51 (2014)


Article DOI: 10.1021/ml500006v
BindingDB Entry DOI: 10.7270/Q2QC053B
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50378015
PNG
(CHEMBL1627307)
Show SMILES O[C@@H](CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C23H26Cl2N4O2/c24-18-5-3-7-21(22(18)25)29-12-10-28(11-13-29)15-17(30)8-9-26-23(31)20-14-16-4-1-2-6-19(16)27-20/h1-7,14,17,27,30H,8-13,15H2,(H,26,31)/t17-/m0/s1
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3.90n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in human HEK293 cell membrane for 1 hr by liquid scintillation counti...


ACS Med Chem Lett 5: 647-51 (2014)


Article DOI: 10.1021/ml500006v
BindingDB Entry DOI: 10.7270/Q2QC053B
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50020916
PNG
(CHEMBL3287279)
Show SMILES F[C@H](CCNC(=O)c1cc2ccccc2o1)CN1CCN(CC1)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C23H24Cl2FN3O2/c24-18-5-3-6-19(22(18)25)29-12-10-28(11-13-29)15-17(26)8-9-27-23(30)21-14-16-4-1-2-7-20(16)31-21/h1-7,14,17H,8-13,15H2,(H,27,30)/t17-/m1/s1
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6.90n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in human HEK293 cell membrane for 1 hr by liquid scintillation counti...


ACS Med Chem Lett 5: 647-51 (2014)


Article DOI: 10.1021/ml500006v
BindingDB Entry DOI: 10.7270/Q2QC053B
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50343785
PNG
(CHEMBL1774386 | N-(4-(4-(2,3-Dichlorophenyl)pipera...)
Show SMILES FC(CCNC(=O)c1cc2ccccc2o1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H24Cl2FN3O2/c24-18-5-3-6-19(22(18)25)29-12-10-28(11-13-29)15-17(26)8-9-27-23(30)21-14-16-4-1-2-7-20(16)31-21/h1-7,14,17H,8-13,15H2,(H,27,30)
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10n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in human HEK293 cell membrane for 1 hr by liquid scintillation counti...


ACS Med Chem Lett 5: 647-51 (2014)


Article DOI: 10.1021/ml500006v
BindingDB Entry DOI: 10.7270/Q2QC053B
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50020917
PNG
(CHEMBL3287280)
Show SMILES F[C@@H](CCNC(=O)c1cc2ccccc2o1)CN1CCN(CC1)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C23H24Cl2FN3O2/c24-18-5-3-6-19(22(18)25)29-12-10-28(11-13-29)15-17(26)8-9-27-23(30)21-14-16-4-1-2-7-20(16)31-21/h1-7,14,17H,8-13,15H2,(H,27,30)/t17-/m0/s1
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29n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in human HEK293 cell membrane for 1 hr by liquid scintillation counti...


ACS Med Chem Lett 5: 647-51 (2014)


Article DOI: 10.1021/ml500006v
BindingDB Entry DOI: 10.7270/Q2QC053B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50342720
PNG
((R)-N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)-3-...)
Show SMILES O[C@H](CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C23H26Cl2N4O2/c24-18-5-3-7-21(22(18)25)29-12-10-28(11-13-29)15-17(30)8-9-26-23(31)20-14-16-4-1-2-6-19(16)27-20/h1-7,14,17,27,30H,8-13,15H2,(H,26,31)/t17-/m1/s1
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300n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in human HEK293 cell membrane for 1 hr by liquid scintillation counti...


ACS Med Chem Lett 5: 647-51 (2014)


Article DOI: 10.1021/ml500006v
BindingDB Entry DOI: 10.7270/Q2QC053B
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50020918
PNG
(CHEMBL3287281)
Show SMILES FCC(CCNC(=O)c1cc2ccccc2o1)N1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H24Cl2FN3O2/c24-18-5-3-6-19(22(18)25)29-12-10-28(11-13-29)17(15-26)8-9-27-23(30)21-14-16-4-1-2-7-20(16)31-21/h1-7,14,17H,8-13,15H2,(H,27,30)
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560n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in human HEK293 cell membrane for 1 hr by liquid scintillation counti...


ACS Med Chem Lett 5: 647-51 (2014)


Article DOI: 10.1021/ml500006v
BindingDB Entry DOI: 10.7270/Q2QC053B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM123850
PNG
(US8748608, 34 | US8748608, 34 Enantiomer A | US874...)
Show SMILES OC(CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H26Cl2N4O2/c24-18-5-3-7-21(22(18)25)29-12-10-28(11-13-29)15-17(30)8-9-26-23(31)20-14-16-4-1-2-6-19(16)27-20/h1-7,14,17,27,30H,8-13,15H2,(H,26,31)
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750n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in human HEK293 cell membrane for 1 hr by liquid scintillation counti...


ACS Med Chem Lett 5: 647-51 (2014)


Article DOI: 10.1021/ml500006v
BindingDB Entry DOI: 10.7270/Q2QC053B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50378015
PNG
(CHEMBL1627307)
Show SMILES O[C@@H](CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C23H26Cl2N4O2/c24-18-5-3-7-21(22(18)25)29-12-10-28(11-13-29)15-17(30)8-9-26-23(31)20-14-16-4-1-2-6-19(16)27-20/h1-7,14,17,27,30H,8-13,15H2,(H,26,31)/t17-/m0/s1
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790n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in human HEK293 cell membrane for 1 hr by liquid scintillation counti...


ACS Med Chem Lett 5: 647-51 (2014)


Article DOI: 10.1021/ml500006v
BindingDB Entry DOI: 10.7270/Q2QC053B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020916
PNG
(CHEMBL3287279)
Show SMILES F[C@H](CCNC(=O)c1cc2ccccc2o1)CN1CCN(CC1)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C23H24Cl2FN3O2/c24-18-5-3-6-19(22(18)25)29-12-10-28(11-13-29)15-17(26)8-9-27-23(30)21-14-16-4-1-2-7-20(16)31-21/h1-7,14,17H,8-13,15H2,(H,27,30)/t17-/m1/s1
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800n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in human HEK293 cell membrane for 1 hr by liquid scintillation counti...


ACS Med Chem Lett 5: 647-51 (2014)


Article DOI: 10.1021/ml500006v
BindingDB Entry DOI: 10.7270/Q2QC053B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50343785
PNG
(CHEMBL1774386 | N-(4-(4-(2,3-Dichlorophenyl)pipera...)
Show SMILES FC(CCNC(=O)c1cc2ccccc2o1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H24Cl2FN3O2/c24-18-5-3-6-19(22(18)25)29-12-10-28(11-13-29)15-17(26)8-9-27-23(30)21-14-16-4-1-2-7-20(16)31-21/h1-7,14,17H,8-13,15H2,(H,27,30)
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960n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in human HEK293 cell membrane for 1 hr by liquid scintillation counti...


ACS Med Chem Lett 5: 647-51 (2014)


Article DOI: 10.1021/ml500006v
BindingDB Entry DOI: 10.7270/Q2QC053B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50378015
PNG
(CHEMBL1627307)
Show SMILES O[C@@H](CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C23H26Cl2N4O2/c24-18-5-3-7-21(22(18)25)29-12-10-28(11-13-29)15-17(30)8-9-26-23(31)20-14-16-4-1-2-6-19(16)27-20/h1-7,14,17,27,30H,8-13,15H2,(H,26,31)/t17-/m0/s1
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1.90E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in human HEK293 cell membrane for 1 hr by liquid scintillation counti...


ACS Med Chem Lett 5: 647-51 (2014)


Article DOI: 10.1021/ml500006v
BindingDB Entry DOI: 10.7270/Q2QC053B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020917
PNG
(CHEMBL3287280)
Show SMILES F[C@@H](CCNC(=O)c1cc2ccccc2o1)CN1CCN(CC1)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C23H24Cl2FN3O2/c24-18-5-3-6-19(22(18)25)29-12-10-28(11-13-29)15-17(26)8-9-27-23(30)21-14-16-4-1-2-7-20(16)31-21/h1-7,14,17H,8-13,15H2,(H,27,30)/t17-/m0/s1
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2.50E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in human HEK293 cell membrane for 1 hr by liquid scintillation counti...


ACS Med Chem Lett 5: 647-51 (2014)


Article DOI: 10.1021/ml500006v
BindingDB Entry DOI: 10.7270/Q2QC053B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM123850
PNG
(US8748608, 34 | US8748608, 34 Enantiomer A | US874...)
Show SMILES OC(CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H26Cl2N4O2/c24-18-5-3-7-21(22(18)25)29-12-10-28(11-13-29)15-17(30)8-9-26-23(31)20-14-16-4-1-2-6-19(16)27-20/h1-7,14,17,27,30H,8-13,15H2,(H,26,31)
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2.60E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in human HEK293 cell membrane for 1 hr by liquid scintillation counti...


ACS Med Chem Lett 5: 647-51 (2014)


Article DOI: 10.1021/ml500006v
BindingDB Entry DOI: 10.7270/Q2QC053B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50020918
PNG
(CHEMBL3287281)
Show SMILES FCC(CCNC(=O)c1cc2ccccc2o1)N1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H24Cl2FN3O2/c24-18-5-3-6-19(22(18)25)29-12-10-28(11-13-29)17(15-26)8-9-27-23(30)21-14-16-4-1-2-7-20(16)31-21/h1-7,14,17H,8-13,15H2,(H,27,30)
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>3.00E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in human HEK293 cell membrane for 1 hr by liquid scintillation counti...


ACS Med Chem Lett 5: 647-51 (2014)


Article DOI: 10.1021/ml500006v
BindingDB Entry DOI: 10.7270/Q2QC053B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50342720
PNG
((R)-N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)-3-...)
Show SMILES O[C@H](CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C23H26Cl2N4O2/c24-18-5-3-7-21(22(18)25)29-12-10-28(11-13-29)15-17(30)8-9-26-23(31)20-14-16-4-1-2-6-19(16)27-20/h1-7,14,17,27,30H,8-13,15H2,(H,26,31)/t17-/m1/s1
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4.00E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in human HEK293 cell membrane for 1 hr by liquid scintillation counti...


ACS Med Chem Lett 5: 647-51 (2014)


Article DOI: 10.1021/ml500006v
BindingDB Entry DOI: 10.7270/Q2QC053B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020918
PNG
(CHEMBL3287281)
Show SMILES FCC(CCNC(=O)c1cc2ccccc2o1)N1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H24Cl2FN3O2/c24-18-5-3-6-19(22(18)25)29-12-10-28(11-13-29)17(15-26)8-9-27-23(30)21-14-16-4-1-2-7-20(16)31-21/h1-7,14,17H,8-13,15H2,(H,27,30)
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7.40E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in human HEK293 cell membrane for 1 hr by liquid scintillation counti...


ACS Med Chem Lett 5: 647-51 (2014)


Article DOI: 10.1021/ml500006v
BindingDB Entry DOI: 10.7270/Q2QC053B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50020916
PNG
(CHEMBL3287279)
Show SMILES F[C@H](CCNC(=O)c1cc2ccccc2o1)CN1CCN(CC1)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C23H24Cl2FN3O2/c24-18-5-3-6-19(22(18)25)29-12-10-28(11-13-29)15-17(26)8-9-27-23(30)21-14-16-4-1-2-7-20(16)31-21/h1-7,14,17H,8-13,15H2,(H,27,30)/t17-/m1/s1
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Article
PubMed
>9.00E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in human HEK293 cell membrane for 1 hr by liquid scintillation counti...


ACS Med Chem Lett 5: 647-51 (2014)


Article DOI: 10.1021/ml500006v
BindingDB Entry DOI: 10.7270/Q2QC053B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50020917
PNG
(CHEMBL3287280)
Show SMILES F[C@@H](CCNC(=O)c1cc2ccccc2o1)CN1CCN(CC1)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C23H24Cl2FN3O2/c24-18-5-3-6-19(22(18)25)29-12-10-28(11-13-29)15-17(26)8-9-27-23(30)21-14-16-4-1-2-7-20(16)31-21/h1-7,14,17H,8-13,15H2,(H,27,30)/t17-/m0/s1
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UniChem

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Article
PubMed
>1.40E+4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in human HEK293 cell membrane for 1 hr by liquid scintillation counti...


ACS Med Chem Lett 5: 647-51 (2014)


Article DOI: 10.1021/ml500006v
BindingDB Entry DOI: 10.7270/Q2QC053B
More data for this
Ligand-Target Pair