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Compile Data Set for Download or QSAR

Found 178 hits with Last Name = 'booij' and Initial = 'j'   
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
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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0.0741n/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
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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0.0750n/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
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))
BDBM50446923
PNG
(CHEMBL3115576)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccccc3I)Oc2c1
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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0.162n/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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50356605
PNG
(CHEMBL1910139)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1
Show InChI InChI=1S/C28H31FN4O2/c1-35-18-7-3-2-6-17(18)32-13-10-31(11-14-32)12-15-33(19-8-4-5-9-30-19)26(34)28-23-20-24(28)22-25(28)21(23)27(20,22)16-29/h2-9,20-25H,10-16H2,1H3
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0.200n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50084855
PNG
(CHEMBL423361 | Cyclohexanecarboxylic acid {2-[4-(2...)
Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C24H32N4O2/c29-22-11-5-4-10-21(22)27-17-14-26(15-18-27)16-19-28(23-12-6-7-13-25-23)24(30)20-8-2-1-3-9-20/h4-7,10-13,20,29H,1-3,8-9,14-19H2
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0.330n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting


J Med Chem 54: 3480-91 (2011)


Article DOI: 10.1021/jm1009956
BindingDB Entry DOI: 10.7270/Q2HX1D1C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50084855
PNG
(CHEMBL423361 | Cyclohexanecarboxylic acid {2-[4-(2...)
Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C24H32N4O2/c29-22-11-5-4-10-21(22)27-17-14-26(15-18-27)16-19-28(23-12-6-7-13-25-23)24(30)20-8-2-1-3-9-20/h4-7,10-13,20,29H,1-3,8-9,14-19H2
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0.330n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 EBNA cells after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
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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0.339n/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
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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0.380n/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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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0.390n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting


J Med Chem 54: 3480-91 (2011)


Article DOI: 10.1021/jm1009956
BindingDB Entry DOI: 10.7270/Q2HX1D1C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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0.390n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 EBNA cells after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50343896
PNG
(CHEMBL1774997 | N-(2-(4-(2-Hydroxyphenyl)piperazin...)
Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23CCC(I)(CC2)C3)c2ccccn2)CC1
Show InChI InChI=1S/C25H31IN4O2/c26-25-10-8-24(19-25,9-11-25)23(32)30(22-7-3-4-12-27-22)18-15-28-13-16-29(17-14-28)20-5-1-2-6-21(20)31/h1-7,12,31H,8-11,13-19H2
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0.470n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting


J Med Chem 54: 3480-91 (2011)


Article DOI: 10.1021/jm1009956
BindingDB Entry DOI: 10.7270/Q2HX1D1C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50356605
PNG
(CHEMBL1910139)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1
Show InChI InChI=1S/C28H31FN4O2/c1-35-18-7-3-2-6-17(18)32-13-10-31(11-14-32)12-15-33(19-8-4-5-9-30-19)26(34)28-23-20-24(28)22-25(28)21(23)27(20,22)16-29/h2-9,20-25H,10-16H2,1H3
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0.540n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 EBNA cells after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50356611
PNG
(CHEMBL1910143)
Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1
Show InChI InChI=1S/C27H29FN4O2/c28-15-26-19-22-20(26)24-21(26)23(19)27(22,24)25(34)32(18-7-3-4-8-29-18)14-11-30-9-12-31(13-10-30)16-5-1-2-6-17(16)33/h1-8,19-24,33H,9-15H2
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0.580n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 EBNA cells after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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0.600n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50343894
PNG
(CHEMBL1774995 | N-(2-(4-(2-Hydroxyphenyl)piperazin...)
Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1
Show InChI InChI=1S/C26H27IN4O2/c27-26-21-18-22(26)20-23(26)19(21)25(18,20)24(33)31(17-7-3-4-8-28-17)14-11-29-9-12-30(13-10-29)15-5-1-2-6-16(15)32/h1-8,18-23,32H,9-14H2
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0.640n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting


J Med Chem 54: 3480-91 (2011)


Article DOI: 10.1021/jm1009956
BindingDB Entry DOI: 10.7270/Q2HX1D1C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50356606
PNG
(CHEMBL1910140)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1
Show InChI InChI=1S/C28H37FN4O2/c1-35-24-7-3-2-6-23(24)32-19-16-31(17-20-32)18-21-33(25-8-4-5-15-30-25)26(34)28-12-9-27(22-29,10-13-28)11-14-28/h2-8,15H,9-14,16-22H2,1H3
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0.650n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 EBNA cells after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50446923
PNG
(CHEMBL3115576)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccccc3I)Oc2c1
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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50356613
PNG
(CHEMBL1910145)
Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1
Show InChI InChI=1S/C26H33FN4O2/c27-20-25-8-10-26(19-25,11-9-25)24(33)31(23-7-3-4-12-28-23)18-15-29-13-16-30(17-14-29)21-5-1-2-6-22(21)32/h1-7,12,32H,8-11,13-20H2
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0.740n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 EBNA cells after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50356612
PNG
(CHEMBL1910144)
Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1
Show InChI InChI=1S/C27H35FN4O2/c28-21-26-8-11-27(12-9-26,13-10-26)25(34)32(24-7-3-4-14-29-24)20-17-30-15-18-31(19-16-30)22-5-1-2-6-23(22)33/h1-7,14,33H,8-13,15-21H2
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0.75n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 EBNA cells after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50356604
PNG
(CHEMBL1910141)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1
Show InChI InChI=1S/C27H35FN4O2/c1-34-23-7-3-2-6-22(23)31-17-14-30(15-18-31)16-19-32(24-8-4-5-13-29-24)25(33)27-11-9-26(20-27,21-28)10-12-27/h2-8,13H,9-12,14-21H2,1H3
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0.860n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 EBNA cells after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50343892
PNG
(4-Iodo-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)eth...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CCC(I)(CC2)C3)c2ccccn2)CC1
Show InChI InChI=1S/C26H33IN4O2/c1-33-22-7-3-2-6-21(22)30-17-14-29(15-18-30)16-19-31(23-8-4-5-13-28-23)24(32)25-9-11-26(27,20-25)12-10-25/h2-8,13H,9-12,14-20H2,1H3
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0.870n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting


J Med Chem 54: 3480-91 (2011)


Article DOI: 10.1021/jm1009956
BindingDB Entry DOI: 10.7270/Q2HX1D1C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50356604
PNG
(CHEMBL1910141)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1
Show InChI InChI=1S/C27H35FN4O2/c1-34-23-7-3-2-6-22(23)31-17-14-30(15-18-31)16-19-32(24-8-4-5-13-29-24)25(33)27-11-9-26(20-27,21-28)10-12-27/h2-8,13H,9-12,14-21H2,1H3
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0.900n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
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
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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1n/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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50356606
PNG
(CHEMBL1910140)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1
Show InChI InChI=1S/C28H37FN4O2/c1-35-24-7-3-2-6-23(24)32-19-16-31(17-20-32)18-21-33(25-8-4-5-15-30-25)26(34)28-12-9-27(22-29,10-13-28)11-14-28/h2-8,15H,9-14,16-22H2,1H3
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1.10n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50356610
PNG
(CHEMBL1910142)
Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23CC4CC(CC(CF)(C4)C2)C3)c2ccccn2)CC1
Show InChI InChI=1S/C29H37FN4O2/c30-21-28-16-22-15-23(17-28)19-29(18-22,20-28)27(36)34(26-7-3-4-8-31-26)14-11-32-9-12-33(13-10-32)24-5-1-2-6-25(24)35/h1-8,22-23,35H,9-21H2
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1.10n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 EBNA cells after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50343890
PNG
(4-Iodo-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)eth...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1
Show InChI InChI=1S/C27H29IN4O2/c1-34-17-7-3-2-6-16(17)31-13-10-30(11-14-31)12-15-32(18-8-4-5-9-29-18)25(33)26-19-22-20(26)24-21(26)23(19)27(22,24)28/h2-9,19-24H,10-15H2,1H3
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1.11n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting


J Med Chem 54: 3480-91 (2011)


Article DOI: 10.1021/jm1009956
BindingDB Entry DOI: 10.7270/Q2HX1D1C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50343891
PNG
(4-Iodo-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)eth...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CCC(I)(CC2)CC3)c2ccccn2)CC1
Show InChI InChI=1S/C27H35IN4O2/c1-34-23-7-3-2-6-22(23)31-19-16-30(17-20-31)18-21-32(24-8-4-5-15-29-24)25(33)26-9-12-27(28,13-10-26)14-11-26/h2-8,15H,9-14,16-21H2,1H3
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1.11n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting


J Med Chem 54: 3480-91 (2011)


Article DOI: 10.1021/jm1009956
BindingDB Entry DOI: 10.7270/Q2HX1D1C
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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1.20n/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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50343894
PNG
(CHEMBL1774995 | N-(2-(4-(2-Hydroxyphenyl)piperazin...)
Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1
Show InChI InChI=1S/C26H27IN4O2/c27-26-21-18-22(26)20-23(26)19(21)25(18,20)24(33)31(17-7-3-4-8-28-17)14-11-29-9-12-30(13-10-29)15-5-1-2-6-16(15)32/h1-8,18-23,32H,9-14H2
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1.40n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of 5HT1A receptor


J Med Chem 54: 3480-91 (2011)


Article DOI: 10.1021/jm1009956
BindingDB Entry DOI: 10.7270/Q2HX1D1C
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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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
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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1.60n/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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50343893
PNG
(CHEMBL1774994 | N-(2-(4-(2-Hydroxyphenyl)piperazin...)
Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23CC4CC(C2)C(I)C(C4)C3)c2ccccn2)CC1
Show InChI InChI=1S/C28H35IN4O2/c29-26-21-15-20-16-22(26)19-28(17-20,18-21)27(35)33(25-7-3-4-8-30-25)14-11-31-9-12-32(13-10-31)23-5-1-2-6-24(23)34/h1-8,20-22,26,34H,9-19H2
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1.68n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting


J Med Chem 54: 3480-91 (2011)


Article DOI: 10.1021/jm1009956
BindingDB Entry DOI: 10.7270/Q2HX1D1C
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
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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50356609
PNG
(CHEMBL1910138)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CC4CC(CC(CF)(C4)C2)C3)c2ccccn2)CC1
Show InChI InChI=1S/C30H39FN4O2/c1-37-26-7-3-2-6-25(26)34-13-10-33(11-14-34)12-15-35(27-8-4-5-9-32-27)28(36)30-19-23-16-24(20-30)18-29(17-23,21-30)22-31/h2-9,23-24H,10-22H2,1H3
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1.82n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 EBNA cells after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50343895
PNG
(CHEMBL1774996 | N-(2-(4-(2-Hydroxyphenyl)piperazin...)
Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23CCC(I)(CC2)CC3)c2ccccn2)CC1
Show InChI InChI=1S/C26H33IN4O2/c27-26-11-8-25(9-12-26,10-13-26)24(33)31(23-7-3-4-14-28-23)20-17-29-15-18-30(19-16-29)21-5-1-2-6-22(21)32/h1-7,14,32H,8-13,15-20H2
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1.95n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting


J Med Chem 54: 3480-91 (2011)


Article DOI: 10.1021/jm1009956
BindingDB Entry DOI: 10.7270/Q2HX1D1C
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
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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2n/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))
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
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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50343889
PNG
(3-Iodo-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)eth...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CC4CC(CC(I)(C4)C2)C3)c2ccccn2)CC1
Show InChI InChI=1S/C29H37IN4O2/c1-36-25-7-3-2-6-24(25)33-13-10-32(11-14-33)12-15-34(26-8-4-5-9-31-26)27(35)28-17-22-16-23(18-28)20-29(30,19-22)21-28/h2-9,22-23H,10-21H2,1H3
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2.15n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting


J Med Chem 54: 3480-91 (2011)


Article DOI: 10.1021/jm1009956
BindingDB Entry DOI: 10.7270/Q2HX1D1C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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2.20n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of 5HT1A receptor


J Med Chem 54: 3480-91 (2011)


Article DOI: 10.1021/jm1009956
BindingDB Entry DOI: 10.7270/Q2HX1D1C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50343890
PNG
(4-Iodo-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)eth...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1
Show InChI InChI=1S/C27H29IN4O2/c1-34-17-7-3-2-6-16(17)31-13-10-30(11-14-31)12-15-32(18-8-4-5-9-29-18)25(33)26-19-22-20(26)24-21(26)23(19)27(22,24)28/h2-9,19-24H,10-15H2,1H3
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2.20n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of 5HT1A receptor


J Med Chem 54: 3480-91 (2011)


Article DOI: 10.1021/jm1009956
BindingDB Entry DOI: 10.7270/Q2HX1D1C
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
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))
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
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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4.90n/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))
BDBM50446926
PNG
(CHEMBL3115582)
Show SMILES Oc1ccc2CC[C@H](CNCCN3CCN(CC3)c3ccc(OCCF)cc3)Oc2c1
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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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
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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5n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1D receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
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
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
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
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