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PubMed code 12482418

Compile data set for download or QSAR
Found 18 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


(Rattus norvegicus (rat))		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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 3n/an/an/an/an/an/an/an/a



University of Santiago

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 in rat frontal striatum using [3H]spiperone

Bioorg Med Chem Lett 13: 175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2T43V8H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50404053
PNG
(CHEMBL51767)
Show SMILES COc1ccccc1N1CCN(CCCOc2ccc3c(C)cc(=O)oc3c2)CC1
Show InChI InChI=1S/C24H28N2O4/c1-18-16-24(27)30-23-17-19(8-9-20(18)23)29-15-5-10-25-11-13-26(14-12-25)21-6-3-4-7-22(21)28-2/h3-4,6-9,16-17H,5,10-15H2,1-2H3
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 12n/an/an/an/an/an/an/an/a



University of Santiago

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 in rat frontal striatum using [3H]spiperone

Bioorg Med Chem Lett 13: 175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2T43V8H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50404050
PNG
(CHEMBL298108)
Show SMILES COc1ccccc1N1CCN(CCCOc2ccc3c(OC)cc(=O)oc3c2)CC1
Show InChI InChI=1S/C24H28N2O5/c1-28-21-7-4-3-6-20(21)26-13-11-25(12-14-26)10-5-15-30-18-8-9-19-22(29-2)17-24(27)31-23(19)16-18/h3-4,6-9,16-17H,5,10-15H2,1-2H3
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 18n/an/an/an/an/an/an/an/a



University of Santiago

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 in rat frontal striatum using [3H]spiperone

Bioorg Med Chem Lett 13: 175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2T43V8H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50073272
PNG
(4-Methyl-7-[3-(4-phenyl-piperazin-1-yl)-propoxy]-c...)
Show SMILES Cc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ccccc3)ccc12
Show InChI InChI=1S/C23H26N2O3/c1-18-16-23(26)28-22-17-20(8-9-21(18)22)27-15-5-10-24-11-13-25(14-12-24)19-6-3-2-4-7-19/h2-4,6-9,16-17H,5,10-15H2,1H3
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 46n/an/an/an/an/an/an/an/a



University of Santiago

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 in rat frontal striatum using [3H]spiperone

Bioorg Med Chem Lett 13: 175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2T43V8H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50404047
PNG
(CHEMBL52384)
Show SMILES COc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ncccn3)ccc12
Show InChI InChI=1S/C21H24N4O4/c1-27-18-15-20(26)29-19-14-16(4-5-17(18)19)28-13-3-8-24-9-11-25(12-10-24)21-22-6-2-7-23-21/h2,4-7,14-15H,3,8-13H2,1H3
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 48n/an/an/an/an/an/an/an/a



University of Santiago

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 in rat frontal striatum using [3H]spiperone

Bioorg Med Chem Lett 13: 175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2T43V8H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		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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 52n/an/an/an/an/an/an/an/a



University of Santiago

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2A receptor using [3H]ketanserin

Bioorg Med Chem Lett 13: 175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2T43V8H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50404052
PNG
(CHEMBL51681)
Show SMILES Cc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ccccn3)ccc12
Show InChI InChI=1S/C22H25N3O3/c1-17-15-22(26)28-20-16-18(6-7-19(17)20)27-14-4-9-24-10-12-25(13-11-24)21-5-2-3-8-23-21/h2-3,5-8,15-16H,4,9-14H2,1H3
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 81n/an/an/an/an/an/an/an/a



University of Santiago

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 in rat frontal striatum using [3H]spiperone

Bioorg Med Chem Lett 13: 175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2T43V8H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50404049
PNG
(CHEMBL48205)
Show SMILES COc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ccccn3)ccc12
Show InChI InChI=1S/C22H25N3O4/c1-27-19-16-22(26)29-20-15-17(6-7-18(19)20)28-14-4-9-24-10-12-25(13-11-24)21-5-2-3-8-23-21/h2-3,5-8,15-16H,4,9-14H2,1H3
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 129n/an/an/an/an/an/an/an/a



University of Santiago

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 in rat frontal striatum using [3H]spiperone

Bioorg Med Chem Lett 13: 175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2T43V8H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM50404047
PNG
(CHEMBL52384)
Show SMILES COc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ncccn3)ccc12
Show InChI InChI=1S/C21H24N4O4/c1-27-18-15-20(26)29-19-14-16(4-5-17(18)19)28-13-3-8-24-9-11-25(12-10-24)21-22-6-2-7-23-21/h2,4-7,14-15H,3,8-13H2,1H3
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 138n/an/an/an/an/an/an/an/a



University of Santiago

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2A receptor using [3H]ketanserin

Bioorg Med Chem Lett 13: 175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2T43V8H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM50404053
PNG
(CHEMBL51767)
Show SMILES COc1ccccc1N1CCN(CCCOc2ccc3c(C)cc(=O)oc3c2)CC1
Show InChI InChI=1S/C24H28N2O4/c1-18-16-24(27)30-23-17-19(8-9-20(18)23)29-15-5-10-25-11-13-26(14-12-25)21-6-3-4-7-22(21)28-2/h3-4,6-9,16-17H,5,10-15H2,1-2H3
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 174n/an/an/an/an/an/an/an/a



University of Santiago

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2A receptor using [3H]ketanserin

Bioorg Med Chem Lett 13: 175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2T43V8H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50404051
PNG
(CHEMBL265805)
Show SMILES Cc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ncccn3)ccc12
Show InChI InChI=1S/C21H24N4O3/c1-16-14-20(26)28-19-15-17(4-5-18(16)19)27-13-3-8-24-9-11-25(12-10-24)21-22-6-2-7-23-21/h2,4-7,14-15H,3,8-13H2,1H3
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 324n/an/an/an/an/an/an/an/a



University of Santiago

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 in rat frontal striatum using [3H]spiperone

Bioorg Med Chem Lett 13: 175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2T43V8H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM50404049
PNG
(CHEMBL48205)
Show SMILES COc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ccccn3)ccc12
Show InChI InChI=1S/C22H25N3O4/c1-27-19-16-22(26)29-20-15-17(6-7-18(19)20)28-14-4-9-24-10-12-25(13-11-24)21-5-2-3-8-23-21/h2-3,5-8,15-16H,4,9-14H2,1H3
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 537n/an/an/an/an/an/an/an/a



University of Santiago

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2A receptor using [3H]ketanserin

Bioorg Med Chem Lett 13: 175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2T43V8H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50404048
PNG
(CHEMBL48194)
Show SMILES COc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ccccc3)ccc12
Show InChI InChI=1S/C23H26N2O4/c1-27-21-17-23(26)29-22-16-19(8-9-20(21)22)28-15-5-10-24-11-13-25(14-12-24)18-6-3-2-4-7-18/h2-4,6-9,16-17H,5,10-15H2,1H3
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 562n/an/an/an/an/an/an/an/a



University of Santiago

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 in rat frontal striatum using [3H]spiperone

Bioorg Med Chem Lett 13: 175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2T43V8H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM50073272
PNG
(4-Methyl-7-[3-(4-phenyl-piperazin-1-yl)-propoxy]-c...)
Show SMILES Cc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ccccc3)ccc12
Show InChI InChI=1S/C23H26N2O3/c1-18-16-23(26)28-22-17-20(8-9-21(18)22)27-15-5-10-24-11-13-25(14-12-24)19-6-3-2-4-7-19/h2-4,6-9,16-17H,5,10-15H2,1H3
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 933n/an/an/an/an/an/an/an/a



University of Santiago

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2A receptor using [3H]ketanserin

Bioorg Med Chem Lett 13: 175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2T43V8H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM50404052
PNG
(CHEMBL51681)
Show SMILES Cc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ccccn3)ccc12
Show InChI InChI=1S/C22H25N3O3/c1-17-15-22(26)28-20-16-18(6-7-19(17)20)27-14-4-9-24-10-12-25(13-11-24)21-5-2-3-8-23-21/h2-3,5-8,15-16H,4,9-14H2,1H3
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 1.07E+3n/an/an/an/an/an/an/an/a



University of Santiago

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2A receptor using [3H]ketanserin

Bioorg Med Chem Lett 13: 175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2T43V8H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM50404048
PNG
(CHEMBL48194)
Show SMILES COc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ccccc3)ccc12
Show InChI InChI=1S/C23H26N2O4/c1-27-21-17-23(26)29-22-16-19(8-9-20(21)22)28-15-5-10-24-11-13-25(14-12-24)18-6-3-2-4-7-18/h2-4,6-9,16-17H,5,10-15H2,1H3
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 1.95E+3n/an/an/an/an/an/an/an/a



University of Santiago

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2A receptor using [3H]ketanserin

Bioorg Med Chem Lett 13: 175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2T43V8H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM50404051
PNG
(CHEMBL265805)
Show SMILES Cc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ncccn3)ccc12
Show InChI InChI=1S/C21H24N4O3/c1-16-14-20(26)28-19-15-17(4-5-18(16)19)27-13-3-8-24-9-11-25(12-10-24)21-22-6-2-7-23-21/h2,4-7,14-15H,3,8-13H2,1H3
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 2.34E+3n/an/an/an/an/an/an/an/a



University of Santiago

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2A receptor using [3H]ketanserin

Bioorg Med Chem Lett 13: 175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2T43V8H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM50404050
PNG
(CHEMBL298108)
Show SMILES COc1ccccc1N1CCN(CCCOc2ccc3c(OC)cc(=O)oc3c2)CC1
Show InChI InChI=1S/C24H28N2O5/c1-28-21-7-4-3-6-20(21)26-13-11-25(12-14-26)10-5-15-30-18-8-9-19-22(29-2)17-24(27)31-23(19)16-18/h3-4,6-9,16-17H,5,10-15H2,1-2H3
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 3.09E+3n/an/an/an/an/an/an/an/a



University of Santiago

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2A receptor using [3H]ketanserin

Bioorg Med Chem Lett 13: 175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2T43V8H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%