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Compile Data Set for Download or QSAR

Found 86 hits with Last Name = 'omran' and Initial = 'a'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50461413
PNG
(CHEMBL1201343)
Show SMILES CCCN[C@H]1CCC2N=C(N)SC2C1 |r,t:8|
Show InChI InChI=1S/C10H19N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7-9,12H,2-6H2,1H3,(H2,11,13)/t7-,8?,9?/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D3 receptor


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50461414
PNG
(CHEMBL4225278)
Show SMILES CCCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-13-20-14-12-18(16-20)17-10-9-11-19(21)15-17/h9-11,15,18,21H,2-8,12-14,16H2,1H3
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2.34n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50461414
PNG
(CHEMBL4225278)
Show SMILES CCCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-13-20-14-12-18(16-20)17-10-9-11-19(21)15-17/h9-11,15,18,21H,2-8,12-14,16H2,1H3
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2.34n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50461413
PNG
(CHEMBL1201343)
Show SMILES CCCN[C@H]1CCC2N=C(N)SC2C1 |r,t:8|
Show InChI InChI=1S/C10H19N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7-9,12H,2-6H2,1H3,(H2,11,13)/t7-,8?,9?/m0/s1
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3.90n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D2 receptor


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50461409
PNG
(CHEMBL4224763)
Show SMILES CCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C18H29NO/c1-2-3-4-5-6-7-12-19-13-11-17(15-19)16-9-8-10-18(20)14-16/h8-10,14,17,20H,2-7,11-13,15H2,1H3
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5.10n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in stable HEK cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50461414
PNG
(CHEMBL4225278)
Show SMILES CCCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-13-20-14-12-18(16-20)17-10-9-11-19(21)15-17/h9-11,15,18,21H,2-8,12-14,16H2,1H3
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5.5n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in stable HEK cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50461414
PNG
(CHEMBL4225278)
Show SMILES CCCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-13-20-14-12-18(16-20)17-10-9-11-19(21)15-17/h9-11,15,18,21H,2-8,12-14,16H2,1H3
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5.5n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in stable HEK cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50461414
PNG
(CHEMBL4225278)
Show SMILES CCCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-13-20-14-12-18(16-20)17-10-9-11-19(21)15-17/h9-11,15,18,21H,2-8,12-14,16H2,1H3
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5.80n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in stable HEK cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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7.60n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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7.60n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50461414
PNG
(CHEMBL4225278)
Show SMILES CCCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-13-20-14-12-18(16-20)17-10-9-11-19(21)15-17/h9-11,15,18,21H,2-8,12-14,16H2,1H3
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8.90n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50461414
PNG
(CHEMBL4225278)
Show SMILES CCCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-13-20-14-12-18(16-20)17-10-9-11-19(21)15-17/h9-11,15,18,21H,2-8,12-14,16H2,1H3
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8.91n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50461414
PNG
(CHEMBL4225278)
Show SMILES CCCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-13-20-14-12-18(16-20)17-10-9-11-19(21)15-17/h9-11,15,18,21H,2-8,12-14,16H2,1H3
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8.91n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50461414
PNG
(CHEMBL4225278)
Show SMILES CCCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-13-20-14-12-18(16-20)17-10-9-11-19(21)15-17/h9-11,15,18,21H,2-8,12-14,16H2,1H3
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9n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50461409
PNG
(CHEMBL4224763)
Show SMILES CCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C18H29NO/c1-2-3-4-5-6-7-12-19-13-11-17(15-19)16-9-8-10-18(20)14-16/h8-10,14,17,20H,2-7,11-13,15H2,1H3
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9.40n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]-Way100635 from 5HT1A receptor (unknown origin) expressed in stable CHO cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50461410
PNG
(CHEMBL4226336)
Show SMILES CCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C17H27NO/c1-2-3-4-5-6-11-18-12-10-16(14-18)15-8-7-9-17(19)13-15/h7-9,13,16,19H,2-6,10-12,14H2,1H3
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11n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in stable HEK cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50461411
PNG
(CHEMBL4229178)
Show SMILES CCCCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C20H33NO/c1-2-3-4-5-6-7-8-9-14-21-15-13-19(17-21)18-11-10-12-20(22)16-18/h10-12,16,19,22H,2-9,13-15,17H2,1H3
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12n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]-Way100635 from 5HT1A receptor (unknown origin) expressed in stable CHO cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50461406
PNG
(CHEMBL4226226)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C23H31N3O2/c1-25(2)21-10-8-18(9-11-21)23(28)24-13-3-4-14-26-15-12-20(17-26)19-6-5-7-22(27)16-19/h5-11,16,20,27H,3-4,12-15,17H2,1-2H3,(H,24,28)
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13n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50461406
PNG
(CHEMBL4226226)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C23H31N3O2/c1-25(2)21-10-8-18(9-11-21)23(28)24-13-3-4-14-26-15-12-20(17-26)19-6-5-7-22(27)16-19/h5-11,16,20,27H,3-4,12-15,17H2,1-2H3,(H,24,28)
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13.8n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50461406
PNG
(CHEMBL4226226)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C23H31N3O2/c1-25(2)21-10-8-18(9-11-21)23(28)24-13-3-4-14-26-15-12-20(17-26)19-6-5-7-22(27)16-19/h5-11,16,20,27H,3-4,12-15,17H2,1-2H3,(H,24,28)
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13.8n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50461406
PNG
(CHEMBL4226226)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C23H31N3O2/c1-25(2)21-10-8-18(9-11-21)23(28)24-13-3-4-14-26-15-12-20(17-26)19-6-5-7-22(27)16-19/h5-11,16,20,27H,3-4,12-15,17H2,1-2H3,(H,24,28)
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14n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50461406
PNG
(CHEMBL4226226)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C23H31N3O2/c1-25(2)21-10-8-18(9-11-21)23(28)24-13-3-4-14-26-15-12-20(17-26)19-6-5-7-22(27)16-19/h5-11,16,20,27H,3-4,12-15,17H2,1-2H3,(H,24,28)
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14n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50461411
PNG
(CHEMBL4229178)
Show SMILES CCCCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C20H33NO/c1-2-3-4-5-6-7-8-9-14-21-15-13-19(17-21)18-11-10-12-20(22)16-18/h10-12,16,19,22H,2-9,13-15,17H2,1H3
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14n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in stable HEK cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50461406
PNG
(CHEMBL4226226)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C23H31N3O2/c1-25(2)21-10-8-18(9-11-21)23(28)24-13-3-4-14-26-15-12-20(17-26)19-6-5-7-22(27)16-19/h5-11,16,20,27H,3-4,12-15,17H2,1-2H3,(H,24,28)
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14n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50461414
PNG
(CHEMBL4225278)
Show SMILES CCCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-13-20-14-12-18(16-20)17-10-9-11-19(21)15-17/h9-11,15,18,21H,2-8,12-14,16H2,1H3
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15n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]-Way100635 from 5HT1A receptor (unknown origin) expressed in stable CHO cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50461414
PNG
(CHEMBL4225278)
Show SMILES CCCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-13-20-14-12-18(16-20)17-10-9-11-19(21)15-17/h9-11,15,18,21H,2-8,12-14,16H2,1H3
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15n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]-Way100635 from 5HT1A receptor (unknown origin) expressed in stable CHO cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50461409
PNG
(CHEMBL4224763)
Show SMILES CCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C18H29NO/c1-2-3-4-5-6-7-12-19-13-11-17(15-19)16-9-8-10-18(20)14-16/h8-10,14,17,20H,2-7,11-13,15H2,1H3
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19n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50461410
PNG
(CHEMBL4226336)
Show SMILES CCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C17H27NO/c1-2-3-4-5-6-11-18-12-10-16(14-18)15-8-7-9-17(19)13-15/h7-9,13,16,19H,2-6,10-12,14H2,1H3
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19n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]-Way100635 from 5HT1A receptor (unknown origin) expressed in stable CHO cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50461411
PNG
(CHEMBL4229178)
Show SMILES CCCCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C20H33NO/c1-2-3-4-5-6-7-8-9-14-21-15-13-19(17-21)18-11-10-12-20(22)16-18/h10-12,16,19,22H,2-9,13-15,17H2,1H3
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41n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50461414
PNG
(CHEMBL4225278)
Show SMILES CCCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-13-20-14-12-18(16-20)17-10-9-11-19(21)15-17/h9-11,15,18,21H,2-8,12-14,16H2,1H3
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42n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in stable fibroblasts membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50461414
PNG
(CHEMBL4225278)
Show SMILES CCCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-13-20-14-12-18(16-20)17-10-9-11-19(21)15-17/h9-11,15,18,21H,2-8,12-14,16H2,1H3
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48n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]-Way100635 from 5HT1A receptor (unknown origin) expressed in stable CHO cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50461410
PNG
(CHEMBL4226336)
Show SMILES CCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C17H27NO/c1-2-3-4-5-6-11-18-12-10-16(14-18)15-8-7-9-17(19)13-15/h7-9,13,16,19H,2-6,10-12,14H2,1H3
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49n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50290931
PNG
(3-(1-Propyl-pyrrolidin-3-yl)-phenol | CHEMBL81675)
Show SMILES CCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO/c1-2-7-14-8-6-12(10-14)11-4-3-5-13(15)9-11/h3-5,9,12,15H,2,6-8,10H2,1H3
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52n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D3 receptor


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50461406
PNG
(CHEMBL4226226)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C23H31N3O2/c1-25(2)21-10-8-18(9-11-21)23(28)24-13-3-4-14-26-15-12-20(17-26)19-6-5-7-22(27)16-19/h5-11,16,20,27H,3-4,12-15,17H2,1-2H3,(H,24,28)
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54n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in stable HEK cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50461406
PNG
(CHEMBL4226226)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C23H31N3O2/c1-25(2)21-10-8-18(9-11-21)23(28)24-13-3-4-14-26-15-12-20(17-26)19-6-5-7-22(27)16-19/h5-11,16,20,27H,3-4,12-15,17H2,1-2H3,(H,24,28)
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54n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in stable HEK cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50290931
PNG
(3-(1-Propyl-pyrrolidin-3-yl)-phenol | CHEMBL81675)
Show SMILES CCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO/c1-2-7-14-8-6-12(10-14)11-4-3-5-13(15)9-11/h3-5,9,12,15H,2,6-8,10H2,1H3
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68n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D2 receptor


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50461414
PNG
(CHEMBL4225278)
Show SMILES CCCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-13-20-14-12-18(16-20)17-10-9-11-19(21)15-17/h9-11,15,18,21H,2-8,12-14,16H2,1H3
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98n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in stable fibroblasts membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50461414
PNG
(CHEMBL4225278)
Show SMILES CCCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-13-20-14-12-18(16-20)17-10-9-11-19(21)15-17/h9-11,15,18,21H,2-8,12-14,16H2,1H3
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98n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in stable fibroblasts membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50461414
PNG
(CHEMBL4225278)
Show SMILES CCCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-13-20-14-12-18(16-20)17-10-9-11-19(21)15-17/h9-11,15,18,21H,2-8,12-14,16H2,1H3
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101n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50461414
PNG
(CHEMBL4225278)
Show SMILES CCCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-13-20-14-12-18(16-20)17-10-9-11-19(21)15-17/h9-11,15,18,21H,2-8,12-14,16H2,1H3
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101n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50461406
PNG
(CHEMBL4226226)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C23H31N3O2/c1-25(2)21-10-8-18(9-11-21)23(28)24-13-3-4-14-26-15-12-20(17-26)19-6-5-7-22(27)16-19/h5-11,16,20,27H,3-4,12-15,17H2,1-2H3,(H,24,28)
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110n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]-Way100635 from 5HT1A receptor (unknown origin) expressed in stable CHO cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50461406
PNG
(CHEMBL4226226)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C23H31N3O2/c1-25(2)21-10-8-18(9-11-21)23(28)24-13-3-4-14-26-15-12-20(17-26)19-6-5-7-22(27)16-19/h5-11,16,20,27H,3-4,12-15,17H2,1-2H3,(H,24,28)
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110n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]-Way100635 from 5HT1A receptor (unknown origin) expressed in stable CHO cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50461408
PNG
(CHEMBL4227192)
Show SMILES CCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C16H25NO/c1-2-3-4-5-10-17-11-9-15(13-17)14-7-6-8-16(18)12-14/h6-8,12,15,18H,2-5,9-11,13H2,1H3
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114n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in stable HEK cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50461411
PNG
(CHEMBL4229178)
Show SMILES CCCCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C20H33NO/c1-2-3-4-5-6-7-8-9-14-21-15-13-19(17-21)18-11-10-12-20(22)16-18/h10-12,16,19,22H,2-9,13-15,17H2,1H3
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128n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50461412
PNG
(CHEMBL4228054)
Show SMILES CCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO/c1-2-3-4-9-16-10-8-14(12-16)13-6-5-7-15(17)11-13/h5-7,11,14,17H,2-4,8-10,12H2,1H3
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131n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50010617
PNG
((-)-3-(1-Propyl-piperidin-3-yl)-phenol | (S)-3-(1-...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m1/s1
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132n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D3 receptor


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50010617
PNG
((-)-3-(1-Propyl-piperidin-3-yl)-phenol | (S)-3-(1-...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m1/s1
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137n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D2 receptor


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50461411
PNG
(CHEMBL4229178)
Show SMILES CCCCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C20H33NO/c1-2-3-4-5-6-7-8-9-14-21-15-13-19(17-21)18-11-10-12-20(22)16-18/h10-12,16,19,22H,2-9,13-15,17H2,1H3
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143n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50461406
PNG
(CHEMBL4226226)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C23H31N3O2/c1-25(2)21-10-8-18(9-11-21)23(28)24-13-3-4-14-26-15-12-20(17-26)19-6-5-7-22(27)16-19/h5-11,16,20,27H,3-4,12-15,17H2,1-2H3,(H,24,28)
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160n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]-Way100635 from 5HT1A receptor (unknown origin) expressed in stable CHO cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50461408
PNG
(CHEMBL4227192)
Show SMILES CCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C16H25NO/c1-2-3-4-5-10-17-11-9-15(13-17)14-7-6-8-16(18)12-14/h6-8,12,15,18H,2-5,9-11,13H2,1H3
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162n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
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