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PubMed code 15102927

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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Article
PubMed
0.700n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals, Inc.,

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 943-51 (2004)


Article DOI: 10.1124/jpet.104.066688
BindingDB Entry DOI: 10.7270/Q28S4NH4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(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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Article
PubMed
1n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals, Inc.,

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 943-51 (2004)


Article DOI: 10.1124/jpet.104.066688
BindingDB Entry DOI: 10.7270/Q28S4NH4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(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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Article
PubMed
1.80n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals, Inc.,

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 943-51 (2004)


Article DOI: 10.1124/jpet.104.066688
BindingDB Entry DOI: 10.7270/Q28S4NH4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM86496
PNG
(AC-90179 | N-(4-Methylbenzyl)-N-(1-methyl-4-piperi...)
Show SMILES COc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(C)CC2)cc1
Show InChI InChI=1S/C23H30N2O2/c1-18-4-6-20(7-5-18)17-25(21-12-14-24(2)15-13-21)23(26)16-19-8-10-22(27-3)11-9-19/h4-11,21H,12-17H2,1-3H3
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Article
PubMed
2.90n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals, Inc.,

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 943-51 (2004)


Article DOI: 10.1124/jpet.104.066688
BindingDB Entry DOI: 10.7270/Q28S4NH4
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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Article
PubMed
49.9n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals, Inc.,

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 943-51 (2004)


Article DOI: 10.1124/jpet.104.066688
BindingDB Entry DOI: 10.7270/Q28S4NH4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(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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Article
PubMed
70.2n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals, Inc.,

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 943-51 (2004)


Article DOI: 10.1124/jpet.104.066688
BindingDB Entry DOI: 10.7270/Q28S4NH4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%