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Compile Data Set for Download or QSAR

Found 102 hits with Last Name = 'figur' and Initial = 'lm'   
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))
BDBM50017519
PNG
(1,1-Diethyl-3-(7-methyl-4,6,6a,7,8,9,10,10a-octahy...)
Show SMILES CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C20H28N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25)/t14-,16+,18+/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Maryland Psychiatric Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 236: 483-6 (1993)


Article DOI: 10.1016/j.bioorg.2015.02.005
BindingDB Entry DOI: 10.7270/Q25Q4TKG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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0.900n/an/an/an/an/an/an/an/a



Maryland Psychiatric Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 236: 483-6 (1993)


Article DOI: 10.1016/j.bioorg.2015.02.005
BindingDB Entry DOI: 10.7270/Q25Q4TKG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50047138
PNG
(CHEMBL25074 | N-(5-Chloro-7-methyl-4,6,6a,7,8,9,10...)
Show SMILES CN1C[C@H](CC2[C@H]1Cc1c(Cl)[nH]c3cccc2c13)NC(=O)C(C)(C)C
Show InChI InChI=1S/C20H26ClN3O/c1-20(2,3)19(25)22-11-8-13-12-6-5-7-15-17(12)14(18(21)23-15)9-16(13)24(4)10-11/h5-7,11,13,16,23H,8-10H2,1-4H3,(H,22,25)/t11-,13?,16+/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Maryland Psychiatric Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 236: 483-6 (1993)


Article DOI: 10.1016/j.bioorg.2015.02.005
BindingDB Entry DOI: 10.7270/Q25Q4TKG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM79181
PNG
(10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoro...)
Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Maryland Psychiatric Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 236: 483-6 (1993)


Article DOI: 10.1016/j.bioorg.2015.02.005
BindingDB Entry DOI: 10.7270/Q25Q4TKG
More data for this
Ligand-Target Pair
D(2) 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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1.30n/an/an/an/an/an/an/an/a



Maryland Psychiatric Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 236: 483-6 (1993)


Article DOI: 10.1016/j.bioorg.2015.02.005
BindingDB Entry DOI: 10.7270/Q25Q4TKG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50005118
PNG
((S)-3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1
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2n/an/an/an/an/an/an/an/a



Maryland Psychiatric Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 236: 483-6 (1993)


Article DOI: 10.1016/j.bioorg.2015.02.005
BindingDB Entry DOI: 10.7270/Q25Q4TKG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50001974
PNG
(6-Dipropylamino-1,2,6,7-tetrahydro-5H-pyrido[3,2,1...)
Show SMILES CCCN(CCC)C1CN2C(=O)CCc3cccc(C1)c23
Show InChI InChI=1S/C18H26N2O/c1-3-10-19(11-4-2)16-12-15-7-5-6-14-8-9-17(21)20(13-16)18(14)15/h5-7,16H,3-4,8-13H2,1-2H3
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2.40n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-DPAT from 5-hydroxytryptamine 1A receptor in homogenates of bovine hippocampus.


J Med Chem 35: 1076-92 (1992)


Article DOI: 10.1021/jm00084a013
BindingDB Entry DOI: 10.7270/Q2DB82GX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50002338
PNG
((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...)
Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1
Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
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2.80n/an/an/an/an/an/an/an/a



Maryland Psychiatric Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 236: 483-6 (1993)


Article DOI: 10.1016/j.bioorg.2015.02.005
BindingDB Entry DOI: 10.7270/Q25Q4TKG
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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2.90n/an/an/an/an/an/an/an/a



Maryland Psychiatric Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 236: 483-6 (1993)


Article DOI: 10.1016/j.bioorg.2015.02.005
BindingDB Entry DOI: 10.7270/Q25Q4TKG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50001969
PNG
(6-Dipropylamino-1,2,6,7-tetrahydro-5H-pyrido[3,2,1...)
Show SMILES CCCN(CCC)C1CN2C(=O)NCc3cccc(C1)c23
Show InChI InChI=1S/C17H25N3O/c1-3-8-19(9-4-2)15-10-13-6-5-7-14-11-18-17(21)20(12-15)16(13)14/h5-7,15H,3-4,8-12H2,1-2H3,(H,18,21)
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3.20n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-DPAT from 5-hydroxytryptamine 1A receptor in homogenates of bovine hippocampus.


J Med Chem 35: 1076-92 (1992)


Article DOI: 10.1021/jm00084a013
BindingDB Entry DOI: 10.7270/Q2DB82GX
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50047138
PNG
(CHEMBL25074 | N-(5-Chloro-7-methyl-4,6,6a,7,8,9,10...)
Show SMILES CN1C[C@H](CC2[C@H]1Cc1c(Cl)[nH]c3cccc2c13)NC(=O)C(C)(C)C
Show InChI InChI=1S/C20H26ClN3O/c1-20(2,3)19(25)22-11-8-13-12-6-5-7-15-17(12)14(18(21)23-15)9-16(13)24(4)10-11/h5-7,11,13,16,23H,8-10H2,1-4H3,(H,22,25)/t11-,13?,16+/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Maryland Psychiatric Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 236: 483-6 (1993)


Article DOI: 10.1016/j.bioorg.2015.02.005
BindingDB Entry DOI: 10.7270/Q25Q4TKG
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50017519
PNG
(1,1-Diethyl-3-(7-methyl-4,6,6a,7,8,9,10,10a-octahy...)
Show SMILES CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C20H28N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25)/t14-,16+,18+/m0/s1
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5.20n/an/an/an/an/an/an/an/a



Maryland Psychiatric Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 236: 483-6 (1993)


Article DOI: 10.1016/j.bioorg.2015.02.005
BindingDB Entry DOI: 10.7270/Q25Q4TKG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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6.60n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-DPAT from 5-hydroxytryptamine 1A receptor in homogenates of bovine hippocampus.


J Med Chem 35: 1076-92 (1992)


Article DOI: 10.1021/jm00084a013
BindingDB Entry DOI: 10.7270/Q2DB82GX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM22871
PNG
(13-chloro-10-(4-methylpiperazin-1-yl)-2-oxa-9-azat...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12
Show InChI InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
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9.90n/an/an/an/an/an/an/an/a



Maryland Psychiatric Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 236: 483-6 (1993)


Article DOI: 10.1016/j.bioorg.2015.02.005
BindingDB Entry DOI: 10.7270/Q25Q4TKG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50368591
PNG
(CHEMBL1794795)
Show SMILES CCCN(CCC)C1CN2C(=O)COc3cccc(C1)c23
Show InChI InChI=1S/C17H24N2O2/c1-3-8-18(9-4-2)14-10-13-6-5-7-15-17(13)19(11-14)16(20)12-21-15/h5-7,14H,3-4,8-12H2,1-2H3
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12n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-DPAT from 5-hydroxytryptamine 1A receptor in homogenates of bovine hippocampus.


J Med Chem 35: 1076-92 (1992)


Article DOI: 10.1021/jm00084a013
BindingDB Entry DOI: 10.7270/Q2DB82GX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50368582
PNG
(CHEMBL1794997)
Show SMILES CCCN(CCC)C1CN2CCc3cccc(C1)c23
Show InChI InChI=1S/C17H26N2/c1-3-9-18(10-4-2)16-12-15-7-5-6-14-8-11-19(13-16)17(14)15/h5-7,16H,3-4,8-13H2,1-2H3
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13n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-DPAT from 5-hydroxytryptamine 1A receptor in homogenates of bovine hippocampus.


J Med Chem 35: 1076-92 (1992)


Article DOI: 10.1021/jm00084a013
BindingDB Entry DOI: 10.7270/Q2DB82GX
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(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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15.7n/an/an/an/an/an/an/an/a



Maryland Psychiatric Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 236: 483-6 (1993)


Article DOI: 10.1016/j.bioorg.2015.02.005
BindingDB Entry DOI: 10.7270/Q25Q4TKG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50001977
PNG
(6-Dipropylamino-6,7-dihydro-5H-pyrido[3,2,1-ij]qui...)
Show SMILES CCCN(CCC)C1Cc2cccc3ccc(=O)n(C1)c23
Show InChI InChI=1S/C18H24N2O/c1-3-10-19(11-4-2)16-12-15-7-5-6-14-8-9-17(21)20(13-16)18(14)15/h5-9,16H,3-4,10-13H2,1-2H3
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17n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-DPAT from 5-hydroxytryptamine 1A receptor in homogenates of bovine hippocampus.


J Med Chem 35: 1076-92 (1992)


Article DOI: 10.1021/jm00084a013
BindingDB Entry DOI: 10.7270/Q2DB82GX
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50002338
PNG
((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...)
Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1
Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
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22.9n/an/an/an/an/an/an/an/a



Maryland Psychiatric Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 236: 483-6 (1993)


Article DOI: 10.1016/j.bioorg.2015.02.005
BindingDB Entry DOI: 10.7270/Q25Q4TKG
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM22869
PNG
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3
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28.9n/an/an/an/an/an/an/an/a



Maryland Psychiatric Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 236: 483-6 (1993)


Article DOI: 10.1016/j.bioorg.2015.02.005
BindingDB Entry DOI: 10.7270/Q25Q4TKG
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM22871
PNG
(13-chloro-10-(4-methylpiperazin-1-yl)-2-oxa-9-azat...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12
Show InChI InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
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29n/an/an/an/an/an/an/an/a



Maryland Psychiatric Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 236: 483-6 (1993)


Article DOI: 10.1016/j.bioorg.2015.02.005
BindingDB Entry DOI: 10.7270/Q25Q4TKG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM81792
PNG
(CAS_5311190 | NSC_5311190 | UH232 | UH232(+))
Show SMILES CCCN(CCC)C1C=Cc2c(OC)cccc2C1C
Show InChI InChI=1S/C18H27NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-11,14,17H,5-6,12-13H2,1-4H3
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29.4n/an/an/an/an/an/an/an/a



Maryland Psychiatric Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 236: 483-6 (1993)


Article DOI: 10.1016/j.bioorg.2015.02.005
BindingDB Entry DOI: 10.7270/Q25Q4TKG
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50368584
PNG
(CHEMBL1202415)
Show SMILES CCCN(CCC)C1CN2CC(=O)Nc3cccc(C1)c23
Show InChI InChI=1S/C17H25N3O/c1-3-8-19(9-4-2)14-10-13-6-5-7-15-17(13)20(11-14)12-16(21)18-15/h5-7,14H,3-4,8-12H2,1-2H3,(H,18,21)
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30n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]raclopride from dopamine receptor D2 in rat striatal homogenates.


J Med Chem 35: 1076-92 (1992)


Article DOI: 10.1021/jm00084a013
BindingDB Entry DOI: 10.7270/Q2DB82GX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50368593
PNG
(CHEMBL1202416)
Show SMILES CCCN(CCC)C1CN2C(=O)OCc3cccc(C1)c23
Show InChI InChI=1S/C17H24N2O2/c1-3-8-18(9-4-2)15-10-13-6-5-7-14-12-21-17(20)19(11-15)16(13)14/h5-7,15H,3-4,8-12H2,1-2H3
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31n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-DPAT from 5-hydroxytryptamine 1A receptor in homogenates of bovine hippocampus.


J Med Chem 35: 1076-92 (1992)


Article DOI: 10.1021/jm00084a013
BindingDB Entry DOI: 10.7270/Q2DB82GX
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM79181
PNG
(10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoro...)
Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
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32.2n/an/an/an/an/an/an/an/a



Maryland Psychiatric Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 236: 483-6 (1993)


Article DOI: 10.1016/j.bioorg.2015.02.005
BindingDB Entry DOI: 10.7270/Q25Q4TKG
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50368594
PNG
(CHEMBL1794998)
Show SMILES CCCN(CCC)C1CN2CCCc3cccc(C1)c23
Show InChI InChI=1S/C18H28N2/c1-3-10-19(11-4-2)17-13-16-8-5-7-15-9-6-12-20(14-17)18(15)16/h5,7-8,17H,3-4,6,9-14H2,1-2H3
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35n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]raclopride from dopamine receptor D2 in rat striatal homogenates.


J Med Chem 35: 1076-92 (1992)


Article DOI: 10.1021/jm00084a013
BindingDB Entry DOI: 10.7270/Q2DB82GX
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001979
PNG
(5-Dipropylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-ij...)
Show SMILES CCCN(CCC)C1Cc2cccc3[nH]c(=S)n(C1)c23
Show InChI InChI=1S/C16H23N3S/c1-3-8-18(9-4-2)13-10-12-6-5-7-14-15(12)19(11-13)16(20)17-14/h5-7,13H,3-4,8-11H2,1-2H3,(H,17,20)
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40n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]raclopride from dopamine receptor D2 in rat striatal homogenates.


J Med Chem 35: 1076-92 (1992)


Article DOI: 10.1021/jm00084a013
BindingDB Entry DOI: 10.7270/Q2DB82GX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50368590
PNG
(CHEMBL1202409)
Show SMILES NC1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C10H11N3O/c11-7-4-6-2-1-3-8-9(6)13(5-7)10(14)12-8/h1-3,7H,4-5,11H2,(H,12,14)
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44n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-DPAT from 5-hydroxytryptamine 1A receptor in homogenates of bovine hippocampus.


J Med Chem 35: 1076-92 (1992)


Article DOI: 10.1021/jm00084a013
BindingDB Entry DOI: 10.7270/Q2DB82GX
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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45.1n/an/an/an/an/an/an/an/a



Maryland Psychiatric Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 236: 483-6 (1993)


Article DOI: 10.1016/j.bioorg.2015.02.005
BindingDB Entry DOI: 10.7270/Q25Q4TKG
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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46n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]raclopride from dopamine receptor D2 in rat striatal homogenates.


J Med Chem 35: 1076-92 (1992)


Article DOI: 10.1021/jm00084a013
BindingDB Entry DOI: 10.7270/Q2DB82GX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50001971
PNG
(6-Dipropylamino-1,2,6,7-tetrahydro-5H-pyrido[1,2,3...)
Show SMILES CCCN(CCC)C1CN2C(=O)CNc3cccc(C1)c23
Show InChI InChI=1S/C17H25N3O/c1-3-8-19(9-4-2)14-10-13-6-5-7-15-17(13)20(12-14)16(21)11-18-15/h5-7,14,18H,3-4,8-12H2,1-2H3
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49n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-DPAT from 5-hydroxytryptamine 1A receptor in homogenates of bovine hippocampus.


J Med Chem 35: 1076-92 (1992)


Article DOI: 10.1021/jm00084a013
BindingDB Entry DOI: 10.7270/Q2DB82GX
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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54n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]raclopride from dopamine receptor D2 in rat striatal homogenates


J Med Chem 35: 1076-92 (1992)


Article DOI: 10.1021/jm00084a013
BindingDB Entry DOI: 10.7270/Q2DB82GX
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM81792
PNG
(CAS_5311190 | NSC_5311190 | UH232 | UH232(+))
Show SMILES CCCN(CCC)C1C=Cc2c(OC)cccc2C1C
Show InChI InChI=1S/C18H27NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-11,14,17H,5-6,12-13H2,1-4H3
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66.5n/an/an/an/an/an/an/an/a



Maryland Psychiatric Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 236: 483-6 (1993)


Article DOI: 10.1016/j.bioorg.2015.02.005
BindingDB Entry DOI: 10.7270/Q25Q4TKG
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50368595
PNG
(CHEMBL1744080)
Show SMILES CCCN(CCC)[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C16H23N3O/c1-3-8-18(9-4-2)13-10-12-6-5-7-14-15(12)19(11-13)16(20)17-14/h5-7,13H,3-4,8-11H2,1-2H3,(H,17,20)/t13-/m1/s1
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68n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]raclopride from dopamine receptor D2 in rat striatal homogenates


J Med Chem 35: 1076-92 (1992)


Article DOI: 10.1021/jm00084a013
BindingDB Entry DOI: 10.7270/Q2DB82GX
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001971
PNG
(6-Dipropylamino-1,2,6,7-tetrahydro-5H-pyrido[1,2,3...)
Show SMILES CCCN(CCC)C1CN2C(=O)CNc3cccc(C1)c23
Show InChI InChI=1S/C17H25N3O/c1-3-8-19(9-4-2)14-10-13-6-5-7-15-17(13)20(12-14)16(21)11-18-15/h5-7,14,18H,3-4,8-12H2,1-2H3
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80n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]raclopride from dopamine receptor D2 in rat striatal homogenates.


J Med Chem 35: 1076-92 (1992)


Article DOI: 10.1021/jm00084a013
BindingDB Entry DOI: 10.7270/Q2DB82GX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM22869
PNG
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3
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81.9n/an/an/an/an/an/an/an/a



Maryland Psychiatric Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 236: 483-6 (1993)


Article DOI: 10.1016/j.bioorg.2015.02.005
BindingDB Entry DOI: 10.7270/Q25Q4TKG
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001974
PNG
(6-Dipropylamino-1,2,6,7-tetrahydro-5H-pyrido[3,2,1...)
Show SMILES CCCN(CCC)C1CN2C(=O)CCc3cccc(C1)c23
Show InChI InChI=1S/C18H26N2O/c1-3-10-19(11-4-2)16-12-15-7-5-6-14-8-9-17(21)20(13-16)18(14)15/h5-7,16H,3-4,8-13H2,1-2H3
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83n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]raclopride from dopamine receptor D2 in rat striatal homogenates.


J Med Chem 35: 1076-92 (1992)


Article DOI: 10.1021/jm00084a013
BindingDB Entry DOI: 10.7270/Q2DB82GX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50368592
PNG
(CHEMBL1202412)
Show SMILES O=c1[nH]c2cccc3CC(Cn1c23)NCC1CC1
Show InChI InChI=1S/C14H17N3O/c18-14-16-12-3-1-2-10-6-11(8-17(14)13(10)12)15-7-9-4-5-9/h1-3,9,11,15H,4-8H2,(H,16,18)
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84n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-DPAT from 5-hydroxytryptamine 1A receptor in homogenates of bovine hippocampus.


J Med Chem 35: 1076-92 (1992)


Article DOI: 10.1021/jm00084a013
BindingDB Entry DOI: 10.7270/Q2DB82GX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50001979
PNG
(5-Dipropylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-ij...)
Show SMILES CCCN(CCC)C1Cc2cccc3[nH]c(=S)n(C1)c23
Show InChI InChI=1S/C16H23N3S/c1-3-8-18(9-4-2)13-10-12-6-5-7-14-15(12)19(11-13)16(20)17-14/h5-7,13H,3-4,8-11H2,1-2H3,(H,17,20)
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90n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-DPAT from 5-hydroxytryptamine 1A receptor in homogenates of bovine hippocampus.


J Med Chem 35: 1076-92 (1992)


Article DOI: 10.1021/jm00084a013
BindingDB Entry DOI: 10.7270/Q2DB82GX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50368595
PNG
(CHEMBL1744080)
Show SMILES CCCN(CCC)[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C16H23N3O/c1-3-8-18(9-4-2)13-10-12-6-5-7-14-15(12)19(11-13)16(20)17-14/h5-7,13H,3-4,8-11H2,1-2H3,(H,17,20)/t13-/m1/s1
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92n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-DPAT from 5-hydroxytryptamine 1A receptor in homogenates of bovine hippocampus.


J Med Chem 35: 1076-92 (1992)


Article DOI: 10.1021/jm00084a013
BindingDB Entry DOI: 10.7270/Q2DB82GX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50368588
PNG
(CHEMBL1202413)
Show SMILES CCCNC1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C13H17N3O/c1-2-6-14-10-7-9-4-3-5-11-12(9)16(8-10)13(17)15-11/h3-5,10,14H,2,6-8H2,1H3,(H,15,17)
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94n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-DPAT from 5-hydroxytryptamine 1A receptor in homogenates of bovine hippocampus.


J Med Chem 35: 1076-92 (1992)


Article DOI: 10.1021/jm00084a013
BindingDB Entry DOI: 10.7270/Q2DB82GX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50001964
PNG
(5-(Bis-cyclopropylmethyl-amino)-5,6-dihydro-1H,4H-...)
Show SMILES O=c1[nH]c2cccc3CC(Cn1c23)N(CC1CC1)CC1CC1
Show InChI InChI=1S/C18H23N3O/c22-18-19-16-3-1-2-14-8-15(11-21(18)17(14)16)20(9-12-4-5-12)10-13-6-7-13/h1-3,12-13,15H,4-11H2,(H,19,22)
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95n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-DPAT from 5-hydroxytryptamine 1A receptor in homogenates of bovine hippocampus.


J Med Chem 35: 1076-92 (1992)


Article DOI: 10.1021/jm00084a013
BindingDB Entry DOI: 10.7270/Q2DB82GX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50368587
PNG
(CHEMBL1202407)
Show SMILES CCCN(CCC)C1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C16H23N3O/c1-3-8-18(9-4-2)13-10-12-6-5-7-14-15(12)19(11-13)16(20)17-14/h5-7,13H,3-4,8-11H2,1-2H3,(H,17,20)
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102n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-DPAT from 5-hydroxytryptamine 1A receptor in homogenates of bovine hippocampus.


J Med Chem 35: 1076-92 (1992)


Article DOI: 10.1021/jm00084a013
BindingDB Entry DOI: 10.7270/Q2DB82GX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50368594
PNG
(CHEMBL1794998)
Show SMILES CCCN(CCC)C1CN2CCCc3cccc(C1)c23
Show InChI InChI=1S/C18H28N2/c1-3-10-19(11-4-2)17-13-16-8-5-7-15-9-6-12-20(14-17)18(15)16/h5,7-8,17H,3-4,6,9-14H2,1-2H3
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105n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-DPAT from 5-hydroxytryptamine 1A receptor in homogenates of bovine hippocampus.


J Med Chem 35: 1076-92 (1992)


Article DOI: 10.1021/jm00084a013
BindingDB Entry DOI: 10.7270/Q2DB82GX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50001976
PNG
(5-Dipropylamino-5,6-dihydro-1H,4H-pyrrolo[3,2,1-ij...)
Show SMILES CCCN(CCC)C1CN2C(=O)Cc3cccc(C1)c23
Show InChI InChI=1S/C17H24N2O/c1-3-8-18(9-4-2)15-10-13-6-5-7-14-11-16(20)19(12-15)17(13)14/h5-7,15H,3-4,8-12H2,1-2H3
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108n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-DPAT from 5-hydroxytryptamine 1A receptor in homogenates of bovine hippocampus.


J Med Chem 35: 1076-92 (1992)


Article DOI: 10.1021/jm00084a013
BindingDB Entry DOI: 10.7270/Q2DB82GX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50368586
PNG
(CHEMBL1202410)
Show SMILES C=CCNC1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C13H15N3O/c1-2-6-14-10-7-9-4-3-5-11-12(9)16(8-10)13(17)15-11/h2-5,10,14H,1,6-8H2,(H,15,17)
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109n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-DPAT from 5-hydroxytryptamine 1A receptor in homogenates of bovine hippocampus.


J Med Chem 35: 1076-92 (1992)


Article DOI: 10.1021/jm00084a013
BindingDB Entry DOI: 10.7270/Q2DB82GX
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM81777
PNG
(CAS_132-66-1 | NPA | NPA,(+) | NPA,(-) | NSC_8594)
Show SMILES OC(=O)c1ccccc1C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22)
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120n/an/an/an/an/an/an/an/a



Maryland Psychiatric Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 236: 483-6 (1993)


Article DOI: 10.1016/j.bioorg.2015.02.005
BindingDB Entry DOI: 10.7270/Q25Q4TKG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50041959
PNG
(((1S,2R)-5-Methoxy-1-methyl-1,2,3,4-tetrahydro-nap...)
Show SMILES CCCN[C@@H]1CCc2c(OC)cccc2[C@@H]1C
Show InChI InChI=1S/C15H23NO/c1-4-10-16-14-9-8-13-12(11(14)2)6-5-7-15(13)17-3/h5-7,11,14,16H,4,8-10H2,1-3H3/t11-,14+/m0/s1
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120n/an/an/an/an/an/an/an/a



Maryland Psychiatric Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 236: 483-6 (1993)


Article DOI: 10.1016/j.bioorg.2015.02.005
BindingDB Entry DOI: 10.7270/Q25Q4TKG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50001972
PNG
(5-Dipropylamino-1-methyl-5,6-dihydro-1H,4H-imidazo...)
Show SMILES CCCN(CCC)C1Cc2cccc3n(C)c(=O)n(C1)c23
Show InChI InChI=1S/C17H25N3O/c1-4-9-19(10-5-2)14-11-13-7-6-8-15-16(13)20(12-14)17(21)18(15)3/h6-8,14H,4-5,9-12H2,1-3H3
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124n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]DPAT from 5-HT1A receptor in homogenates of bovine hippocampus


J Med Chem 35: 1076-92 (1992)


Article DOI: 10.1021/jm00084a013
BindingDB Entry DOI: 10.7270/Q2DB82GX
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50041959
PNG
(((1S,2R)-5-Methoxy-1-methyl-1,2,3,4-tetrahydro-nap...)
Show SMILES CCCN[C@@H]1CCc2c(OC)cccc2[C@@H]1C
Show InChI InChI=1S/C15H23NO/c1-4-10-16-14-9-8-13-12(11(14)2)6-5-7-15(13)17-3/h5-7,11,14,16H,4,8-10H2,1-3H3/t11-,14+/m0/s1
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132n/an/an/an/an/an/an/an/a



Maryland Psychiatric Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 236: 483-6 (1993)


Article DOI: 10.1016/j.bioorg.2015.02.005
BindingDB Entry DOI: 10.7270/Q25Q4TKG
More data for this
Ligand-Target Pair
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