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Compile Data Set for Download or QSAR

Found 84 hits Enz. Inhib. hit(s) with all data for entry = 50043832   
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))
BDBM50007422
PNG
((+)-6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1
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PubMed
0.0741n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from high-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation counti...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50007422
PNG
((+)-6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1
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PubMed
0.0750n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from high-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation counti...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50007422
PNG
((+)-6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1
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0.110n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity to high-affinity state of D2L receptor (unknown origin) expressed in CHO cell membranes


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50007422
PNG
((+)-6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1
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PubMed
0.380n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from high-affinity state of recombinant human dopamine D2L receptor expressed in CHO cells after 45 mins by scintillat...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020217
PNG
((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1
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0.450n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from high-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation counti...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020217
PNG
((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1
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0.450n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from high-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation counti...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446923
PNG
(CHEMBL3115576)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccccc3I)Oc2c1 |r|
Show InChI InChI=1S/C17H18INO2/c18-16-4-2-1-3-13(16)10-19-11-15-8-6-12-5-7-14(20)9-17(12)21-15/h1-5,7,9,15,19-20H,6,8,10-11H2/t15-/m1/s1
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0.680n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from high-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation counti...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446923
PNG
(CHEMBL3115576)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccccc3I)Oc2c1 |r|
Show InChI InChI=1S/C17H18INO2/c18-16-4-2-1-3-13(16)10-19-11-15-8-6-12-5-7-14(20)9-17(12)21-15/h1-5,7,9,15,19-20H,6,8,10-11H2/t15-/m1/s1
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0.680n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from high-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation counti...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020217
PNG
((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1
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PubMed
1.5n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity to high-affinity state of D2L receptor (unknown origin)


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50007422
PNG
((+)-6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1
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PubMed
1.60n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50007422
PNG
((+)-6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
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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2n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from high-affinity state of human dopamine D2L receptor (443 amino acids) expressed in LTK deficient mouse fibroblast...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446924
PNG
(CHEMBL3115575)
Show SMILES Oc1ccc2CC[C@H](CNCc3cccc(I)c3)Oc2c1 |r|
Show InChI InChI=1S/C17H18INO2/c18-14-3-1-2-12(8-14)10-19-11-16-7-5-13-4-6-15(20)9-17(13)21-16/h1-4,6,8-9,16,19-20H,5,7,10-11H2/t16-/m1/s1
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2.06n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from high-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation counti...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446924
PNG
(CHEMBL3115575)
Show SMILES Oc1ccc2CC[C@H](CNCc3cccc(I)c3)Oc2c1 |r|
Show InChI InChI=1S/C17H18INO2/c18-14-3-1-2-12(8-14)10-19-11-16-7-5-13-4-6-15(20)9-17(13)21-16/h1-4,6,8-9,16,19-20H,5,7,10-11H2/t16-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from high-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation counti...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50061669
PNG
((R)-2-(Benzylamino-methyl)-chroman-7-ol; oxalic ac...)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccccc3)Oc2c1
Show InChI InChI=1S/C17H19NO2/c19-15-8-6-14-7-9-16(20-17(14)10-15)12-18-11-13-4-2-1-3-5-13/h1-6,8,10,16,18-19H,7,9,11-12H2/t16-/m1/s1
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2.98n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from high-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation counti...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50061669
PNG
((R)-2-(Benzylamino-methyl)-chroman-7-ol; oxalic ac...)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccccc3)Oc2c1
Show InChI InChI=1S/C17H19NO2/c19-15-8-6-14-7-9-16(20-17(14)10-15)12-18-11-13-4-2-1-3-5-13/h1-6,8,10,16,18-19H,7,9,11-12H2/t16-/m1/s1
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3n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from high-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation counti...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446925
PNG
(CHEMBL3115574)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccc(I)cc3)Oc2c1 |r|
Show InChI InChI=1S/C17H18INO2/c18-14-5-1-12(2-6-14)10-19-11-16-8-4-13-3-7-15(20)9-17(13)21-16/h1-3,5-7,9,16,19-20H,4,8,10-11H2/t16-/m1/s1
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3.79n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from high-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation counti...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446925
PNG
(CHEMBL3115574)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccc(I)cc3)Oc2c1 |r|
Show InChI InChI=1S/C17H18INO2/c18-14-5-1-12(2-6-14)10-19-11-16-8-4-13-3-7-15(20)9-17(13)21-16/h1-3,5-7,9,16,19-20H,4,8,10-11H2/t16-/m1/s1
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3.80n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from high-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation counti...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446927
PNG
(CHEMBL3115579)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccc(OCCCCF)cc3)Oc2c1 |r|
Show InChI InChI=1S/C21H26FNO3/c22-11-1-2-12-25-19-8-3-16(4-9-19)14-23-15-20-10-6-17-5-7-18(24)13-21(17)26-20/h3-5,7-9,13,20,23-24H,1-2,6,10-12,14-15H2/t20-/m1/s1
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5.5n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from high-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation counti...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446927
PNG
(CHEMBL3115579)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccc(OCCCCF)cc3)Oc2c1 |r|
Show InChI InChI=1S/C21H26FNO3/c22-11-1-2-12-25-19-8-3-16(4-9-19)14-23-15-20-10-6-17-5-7-18(24)13-21(17)26-20/h3-5,7-9,13,20,23-24H,1-2,6,10-12,14-15H2/t20-/m1/s1
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5.60n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from high-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation counti...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446926
PNG
(CHEMBL3115582)
Show SMILES Oc1ccc2CC[C@H](CNCCN3CCN(CC3)c3ccc(OCCF)cc3)Oc2c1 |r|
Show InChI InChI=1S/C24H32FN3O3/c25-9-16-30-22-7-3-20(4-8-22)28-14-12-27(13-15-28)11-10-26-18-23-6-2-19-1-5-21(29)17-24(19)31-23/h1,3-5,7-8,17,23,26,29H,2,6,9-16,18H2/t23-/m1/s1
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6.67n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from high-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation counti...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446926
PNG
(CHEMBL3115582)
Show SMILES Oc1ccc2CC[C@H](CNCCN3CCN(CC3)c3ccc(OCCF)cc3)Oc2c1 |r|
Show InChI InChI=1S/C24H32FN3O3/c25-9-16-30-22-7-3-20(4-8-22)28-14-12-27(13-15-28)11-10-26-18-23-6-2-19-1-5-21(29)17-24(19)31-23/h1,3-5,7-8,17,23,26,29H,2,6,9-16,18H2/t23-/m1/s1
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6.70n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from high-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation counti...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446928
PNG
(CHEMBL3115585)
Show SMILES CCCCCCNC[C@H]1CCc2ccc(O)cc2O1 |r|
Show InChI InChI=1S/C16H25NO2/c1-2-3-4-5-10-17-12-15-9-7-13-6-8-14(18)11-16(13)19-15/h6,8,11,15,17-18H,2-5,7,9-10,12H2,1H3/t15-/m1/s1
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8.19n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from high-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation counti...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446928
PNG
(CHEMBL3115585)
Show SMILES CCCCCCNC[C@H]1CCc2ccc(O)cc2O1 |r|
Show InChI InChI=1S/C16H25NO2/c1-2-3-4-5-10-17-12-15-9-7-13-6-8-14(18)11-16(13)19-15/h6,8,11,15,17-18H,2-5,7,9-10,12H2,1H3/t15-/m1/s1
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8.20n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from high-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation counti...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50007422
PNG
((+)-6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1
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10.6n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2S receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50007422
PNG
((+)-6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1
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11n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2S receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020217
PNG
((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1
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17n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2S receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020217
PNG
((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1
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19n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2S receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020217
PNG
((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1
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21n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020217
PNG
((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1
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21n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
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
PDB

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22n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-iodosulpiride from cloned human dopamine D2S receptor expressed in CHO cells


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446924
PNG
(CHEMBL3115575)
Show SMILES Oc1ccc2CC[C@H](CNCc3cccc(I)c3)Oc2c1 |r|
Show InChI InChI=1S/C17H18INO2/c18-14-3-1-2-12(8-14)10-19-11-16-7-5-13-4-6-15(20)9-17(13)21-16/h1-4,6,8-9,16,19-20H,5,7,10-11H2/t16-/m1/s1
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29n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2S receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446924
PNG
(CHEMBL3115575)
Show SMILES Oc1ccc2CC[C@H](CNCc3cccc(I)c3)Oc2c1 |r|
Show InChI InChI=1S/C17H18INO2/c18-14-3-1-2-12(8-14)10-19-11-16-7-5-13-4-6-15(20)9-17(13)21-16/h1-4,6,8-9,16,19-20H,5,7,10-11H2/t16-/m1/s1
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31n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2S receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446923
PNG
(CHEMBL3115576)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccccc3I)Oc2c1 |r|
Show InChI InChI=1S/C17H18INO2/c18-16-4-2-1-3-13(16)10-19-11-15-8-6-12-5-7-14(20)9-17(12)21-15/h1-5,7,9,15,19-20H,6,8,10-11H2/t15-/m1/s1
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51n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446923
PNG
(CHEMBL3115576)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccccc3I)Oc2c1 |r|
Show InChI InChI=1S/C17H18INO2/c18-16-4-2-1-3-13(16)10-19-11-15-8-6-12-5-7-14(20)9-17(12)21-15/h1-5,7,9,15,19-20H,6,8,10-11H2/t15-/m1/s1
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51.2n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446925
PNG
(CHEMBL3115574)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccc(I)cc3)Oc2c1 |r|
Show InChI InChI=1S/C17H18INO2/c18-14-5-1-12(2-6-14)10-19-11-16-8-4-13-3-7-15(20)9-17(13)21-16/h1-3,5-7,9,16,19-20H,4,8,10-11H2/t16-/m1/s1
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51.8n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446925
PNG
(CHEMBL3115574)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccc(I)cc3)Oc2c1 |r|
Show InChI InChI=1S/C17H18INO2/c18-14-5-1-12(2-6-14)10-19-11-16-8-4-13-3-7-15(20)9-17(13)21-16/h1-3,5-7,9,16,19-20H,4,8,10-11H2/t16-/m1/s1
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52n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
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
PDB

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56n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-iodosulpiride from recombinant high-affinity state of human dopamine D2L receptor


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50061669
PNG
((R)-2-(Benzylamino-methyl)-chroman-7-ol; oxalic ac...)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccccc3)Oc2c1
Show InChI InChI=1S/C17H19NO2/c19-15-8-6-14-7-9-16(20-17(14)10-15)12-18-11-13-4-2-1-3-5-13/h1-6,8,10,16,18-19H,7,9,11-12H2/t16-/m1/s1
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70n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50061669
PNG
((R)-2-(Benzylamino-methyl)-chroman-7-ol; oxalic ac...)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccccc3)Oc2c1
Show InChI InChI=1S/C17H19NO2/c19-15-8-6-14-7-9-16(20-17(14)10-15)12-18-11-13-4-2-1-3-5-13/h1-6,8,10,16,18-19H,7,9,11-12H2/t16-/m1/s1
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70.2n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446924
PNG
(CHEMBL3115575)
Show SMILES Oc1ccc2CC[C@H](CNCc3cccc(I)c3)Oc2c1 |r|
Show InChI InChI=1S/C17H18INO2/c18-14-3-1-2-12(8-14)10-19-11-16-7-5-13-4-6-15(20)9-17(13)21-16/h1-4,6,8-9,16,19-20H,5,7,10-11H2/t16-/m1/s1
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72.9n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446924
PNG
(CHEMBL3115575)
Show SMILES Oc1ccc2CC[C@H](CNCc3cccc(I)c3)Oc2c1 |r|
Show InChI InChI=1S/C17H18INO2/c18-14-3-1-2-12(8-14)10-19-11-16-7-5-13-4-6-15(20)9-17(13)21-16/h1-4,6,8-9,16,19-20H,5,7,10-11H2/t16-/m1/s1
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73n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446922
PNG
(CHEMBL3115578)
Show SMILES Oc1ccc2CC[C@H](CNCCN3CCN(CC3)c3ccc(I)cc3)Oc2c1 |r|
Show InChI InChI=1S/C22H28IN3O2/c23-18-3-5-19(6-4-18)26-13-11-25(12-14-26)10-9-24-16-21-8-2-17-1-7-20(27)15-22(17)28-21/h1,3-7,15,21,24,27H,2,8-14,16H2/t21-/m1/s1
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80.5n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446927
PNG
(CHEMBL3115579)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccc(OCCCCF)cc3)Oc2c1 |r|
Show InChI InChI=1S/C21H26FNO3/c22-11-1-2-12-25-19-8-3-16(4-9-19)14-23-15-20-10-6-17-5-7-18(24)13-21(17)26-20/h3-5,7-9,13,20,23-24H,1-2,6,10-12,14-15H2/t20-/m1/s1
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80.5n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446922
PNG
(CHEMBL3115578)
Show SMILES Oc1ccc2CC[C@H](CNCCN3CCN(CC3)c3ccc(I)cc3)Oc2c1 |r|
Show InChI InChI=1S/C22H28IN3O2/c23-18-3-5-19(6-4-18)26-13-11-25(12-14-26)10-9-24-16-21-8-2-17-1-7-20(27)15-22(17)28-21/h1,3-7,15,21,24,27H,2,8-14,16H2/t21-/m1/s1
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81n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446927
PNG
(CHEMBL3115579)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccc(OCCCCF)cc3)Oc2c1 |r|
Show InChI InChI=1S/C21H26FNO3/c22-11-1-2-12-25-19-8-3-16(4-9-19)14-23-15-20-10-6-17-5-7-18(24)13-21(17)26-20/h3-5,7-9,13,20,23-24H,1-2,6,10-12,14-15H2/t20-/m1/s1
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81n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446927
PNG
(CHEMBL3115579)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccc(OCCCCF)cc3)Oc2c1 |r|
Show InChI InChI=1S/C21H26FNO3/c22-11-1-2-12-25-19-8-3-16(4-9-19)14-23-15-20-10-6-17-5-7-18(24)13-21(17)26-20/h3-5,7-9,13,20,23-24H,1-2,6,10-12,14-15H2/t20-/m1/s1
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91n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2S receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446927
PNG
(CHEMBL3115579)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccc(OCCCCF)cc3)Oc2c1 |r|
Show InChI InChI=1S/C21H26FNO3/c22-11-1-2-12-25-19-8-3-16(4-9-19)14-23-15-20-10-6-17-5-7-18(24)13-21(17)26-20/h3-5,7-9,13,20,23-24H,1-2,6,10-12,14-15H2/t20-/m1/s1
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93n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2S receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446922
PNG
(CHEMBL3115578)
Show SMILES Oc1ccc2CC[C@H](CNCCN3CCN(CC3)c3ccc(I)cc3)Oc2c1 |r|
Show InChI InChI=1S/C22H28IN3O2/c23-18-3-5-19(6-4-18)26-13-11-25(12-14-26)10-9-24-16-21-8-2-17-1-7-20(27)15-22(17)28-21/h1,3-7,15,21,24,27H,2,8-14,16H2/t21-/m1/s1
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131n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2S receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446922
PNG
(CHEMBL3115578)
Show SMILES Oc1ccc2CC[C@H](CNCCN3CCN(CC3)c3ccc(I)cc3)Oc2c1 |r|
Show InChI InChI=1S/C22H28IN3O2/c23-18-3-5-19(6-4-18)26-13-11-25(12-14-26)10-9-24-16-21-8-2-17-1-7-20(27)15-22(17)28-21/h1,3-7,15,21,24,27H,2,8-14,16H2/t21-/m1/s1
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131n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from low-affinity state of human dopamine D2S receptor transfected in HEK293 cells after 2 hrs by scintillation countin...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
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