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PubMed code 7902870

Compile data set for download or QSAR
Found 24 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
Sigma non-opioid intracellular receptor 1


(HUMAN)
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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0.330n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for [3H]-(+)-pentazocine binding to sigma-1 receptor in guinea pig brain membrane


J Med Chem 36: 3929-36 (1994)


Article DOI: 10.1021/jm00076a022
BindingDB Entry DOI: 10.7270/Q2C828CS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
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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0.440n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from CHO-K1 cell membranes expressing human dopamine receptor D2


J Med Chem 36: 3929-36 (1994)


Article DOI: 10.1021/jm00076a022
BindingDB Entry DOI: 10.7270/Q2C828CS
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
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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0.960n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacemnt of [3H]-spiperone from CHO-K1 cell membranes expressing human dopamine 3 receptors


J Med Chem 36: 3929-36 (1994)


Article DOI: 10.1021/jm00076a022
BindingDB Entry DOI: 10.7270/Q2C828CS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50036738
PNG
((R)-4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-h...)
Show SMILES O[C@H](CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H25ClFNO2/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/h3-10,20,25-26H,1-2,11-15H2/t20-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for [3H]-(+)-pentazocine binding to sigma-1 receptor in guinea pig brain membrane


J Med Chem 36: 3929-36 (1994)


Article DOI: 10.1021/jm00076a022
BindingDB Entry DOI: 10.7270/Q2C828CS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50036734
PNG
((S)-4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-h...)
Show SMILES O[C@@H](CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H25ClFNO2/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/h3-10,20,25-26H,1-2,11-15H2/t20-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for [3H]-(+)-pentazocine binding to sigma-1 receptor in guinea pig brain membrane


J Med Chem 36: 3929-36 (1994)


Article DOI: 10.1021/jm00076a022
BindingDB Entry DOI: 10.7270/Q2C828CS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50036735
PNG
((R)-1-(4-Fluoro-phenyl)-4-(4-pyridin-2-yl-piperazi...)
Show SMILES O[C@H](CCCN1CCN(CC1)c1ccccn1)c1ccc(F)cc1
Show InChI InChI=1S/C19H24FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10,18,24H,3-4,11-15H2/t18-/m1/s1
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32.5n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for [3H]-(+)-pentazocine binding to sigma-1 receptor in guinea pig brain membrane


J Med Chem 36: 3929-36 (1994)


Article DOI: 10.1021/jm00076a022
BindingDB Entry DOI: 10.7270/Q2C828CS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50036733
PNG
(1-(4-Fluoro-phenyl)-4-(4-pyridin-2-yl-piperazin-1-...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C19H22FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10H,3-4,11-15H2
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52n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from CHO-K1 cell membranes expressing human dopamine receptor D2


J Med Chem 36: 3929-36 (1994)


Article DOI: 10.1021/jm00076a022
BindingDB Entry DOI: 10.7270/Q2C828CS
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50036733
PNG
(1-(4-Fluoro-phenyl)-4-(4-pyridin-2-yl-piperazin-1-...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C19H22FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10H,3-4,11-15H2
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53n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacemnt of [3H]-spiperone from CHO-K1 cell membranes expressing human dopamine 3 receptors


J Med Chem 36: 3929-36 (1994)


Article DOI: 10.1021/jm00076a022
BindingDB Entry DOI: 10.7270/Q2C828CS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50036737
PNG
((R)-1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2...)
Show SMILES O[C@H](CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2/t17-/m1/s1
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64n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for [3H]-(+)-pentazocine binding to sigma-1 receptor in guinea pig brain membrane


J Med Chem 36: 3929-36 (1994)


Article DOI: 10.1021/jm00076a022
BindingDB Entry DOI: 10.7270/Q2C828CS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50036734
PNG
((S)-4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-h...)
Show SMILES O[C@@H](CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H25ClFNO2/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/h3-10,20,25-26H,1-2,11-15H2/t20-/m0/s1
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73n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from CHO-K1 cell membranes expressing human dopamine receptor D2


J Med Chem 36: 3929-36 (1994)


Article DOI: 10.1021/jm00076a022
BindingDB Entry DOI: 10.7270/Q2C828CS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50036732
PNG
((S)-1-(4-Fluoro-phenyl)-4-(4-pyridin-2-yl-piperazi...)
Show SMILES O[C@@H](CCCN1CCN(CC1)c1ccccn1)c1ccc(F)cc1
Show InChI InChI=1S/C19H24FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10,18,24H,3-4,11-15H2/t18-/m0/s1
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101n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from CHO-K1 cell membranes expressing human dopamine receptor D2


J Med Chem 36: 3929-36 (1994)


Article DOI: 10.1021/jm00076a022
BindingDB Entry DOI: 10.7270/Q2C828CS
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50036732
PNG
((S)-1-(4-Fluoro-phenyl)-4-(4-pyridin-2-yl-piperazi...)
Show SMILES O[C@@H](CCCN1CCN(CC1)c1ccccn1)c1ccc(F)cc1
Show InChI InChI=1S/C19H24FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10,18,24H,3-4,11-15H2/t18-/m0/s1
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125n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacemnt of [3H]-spiperone from CHO-K1 cell membranes expressing human dopamine 3 receptors


J Med Chem 36: 3929-36 (1994)


Article DOI: 10.1021/jm00076a022
BindingDB Entry DOI: 10.7270/Q2C828CS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50036732
PNG
((S)-1-(4-Fluoro-phenyl)-4-(4-pyridin-2-yl-piperazi...)
Show SMILES O[C@@H](CCCN1CCN(CC1)c1ccccn1)c1ccc(F)cc1
Show InChI InChI=1S/C19H24FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10,18,24H,3-4,11-15H2/t18-/m0/s1
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183n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for [3H]-(+)-pentazocine binding to sigma-1 receptor in guinea pig brain membrane


J Med Chem 36: 3929-36 (1994)


Article DOI: 10.1021/jm00076a022
BindingDB Entry DOI: 10.7270/Q2C828CS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50036738
PNG
((R)-4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-h...)
Show SMILES O[C@H](CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H25ClFNO2/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/h3-10,20,25-26H,1-2,11-15H2/t20-/m1/s1
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279n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from CHO-K1 cell membranes expressing human dopamine receptor D2


J Med Chem 36: 3929-36 (1994)


Article DOI: 10.1021/jm00076a022
BindingDB Entry DOI: 10.7270/Q2C828CS
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50036734
PNG
((S)-4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-h...)
Show SMILES O[C@@H](CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H25ClFNO2/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/h3-10,20,25-26H,1-2,11-15H2/t20-/m0/s1
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330n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacemnt of [3H]-spiperone from CHO-K1 cell membranes expressing human dopamine 3 receptors


J Med Chem 36: 3929-36 (1994)


Article DOI: 10.1021/jm00076a022
BindingDB Entry DOI: 10.7270/Q2C828CS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50036733
PNG
(1-(4-Fluoro-phenyl)-4-(4-pyridin-2-yl-piperazin-1-...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C19H22FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10H,3-4,11-15H2
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342n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for [3H]-(+)-pentazocine binding to sigma-1 receptor in guinea pig brain membrane


J Med Chem 36: 3929-36 (1994)


Article DOI: 10.1021/jm00076a022
BindingDB Entry DOI: 10.7270/Q2C828CS
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50036735
PNG
((R)-1-(4-Fluoro-phenyl)-4-(4-pyridin-2-yl-piperazi...)
Show SMILES O[C@H](CCCN1CCN(CC1)c1ccccn1)c1ccc(F)cc1
Show InChI InChI=1S/C19H24FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10,18,24H,3-4,11-15H2/t18-/m1/s1
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374n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacemnt of [3H]-spiperone from CHO-K1 cell membranes expressing human dopamine 3 receptors


J Med Chem 36: 3929-36 (1994)


Article DOI: 10.1021/jm00076a022
BindingDB Entry DOI: 10.7270/Q2C828CS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50036735
PNG
((R)-1-(4-Fluoro-phenyl)-4-(4-pyridin-2-yl-piperazi...)
Show SMILES O[C@H](CCCN1CCN(CC1)c1ccccn1)c1ccc(F)cc1
Show InChI InChI=1S/C19H24FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10,18,24H,3-4,11-15H2/t18-/m1/s1
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403n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from CHO-K1 cell membranes expressing human dopamine receptor D2


J Med Chem 36: 3929-36 (1994)


Article DOI: 10.1021/jm00076a022
BindingDB Entry DOI: 10.7270/Q2C828CS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50036736
PNG
((S)-1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2...)
Show SMILES O[C@@H](CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2/t17-/m0/s1
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490n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for [3H]-(+)-pentazocine binding to sigma-1 receptor in guinea pig brain membrane


J Med Chem 36: 3929-36 (1994)


Article DOI: 10.1021/jm00076a022
BindingDB Entry DOI: 10.7270/Q2C828CS
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50036738
PNG
((R)-4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-h...)
Show SMILES O[C@H](CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H25ClFNO2/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/h3-10,20,25-26H,1-2,11-15H2/t20-/m1/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacemnt of [3H]-spiperone from CHO-K1 cell membranes expressing human dopamine 3 receptors


J Med Chem 36: 3929-36 (1994)


Article DOI: 10.1021/jm00076a022
BindingDB Entry DOI: 10.7270/Q2C828CS
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50036736
PNG
((S)-1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2...)
Show SMILES O[C@@H](CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2/t17-/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacemnt of [3H]-spiperone from CHO-K1 cell membranes expressing human dopamine 3 receptors


J Med Chem 36: 3929-36 (1994)


Article DOI: 10.1021/jm00076a022
BindingDB Entry DOI: 10.7270/Q2C828CS
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50036737
PNG
((R)-1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2...)
Show SMILES O[C@H](CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2/t17-/m1/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacemnt of [3H]-spiperone from CHO-K1 cell membranes expressing human dopamine 3 receptors


J Med Chem 36: 3929-36 (1994)


Article DOI: 10.1021/jm00076a022
BindingDB Entry DOI: 10.7270/Q2C828CS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50036736
PNG
((S)-1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2...)
Show SMILES O[C@@H](CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2/t17-/m0/s1
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3.35E+3n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from CHO-K1 cell membranes expressing human dopamine receptor D2


J Med Chem 36: 3929-36 (1994)


Article DOI: 10.1021/jm00076a022
BindingDB Entry DOI: 10.7270/Q2C828CS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50036737
PNG
((R)-1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2...)
Show SMILES O[C@H](CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2/t17-/m1/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from CHO-K1 cell membranes expressing human dopamine receptor D2


J Med Chem 36: 3929-36 (1994)


Article DOI: 10.1021/jm00076a022
BindingDB Entry DOI: 10.7270/Q2C828CS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%