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Compile Data Set for Download or QSAR

Found 794 hits with Last Name = 'jun' and Initial = 'd'   
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))
BDBM50112797
PNG
(1-{4-[3-(3,4-Dimethoxy-phenyl)-isoxazol-5-yl]-buty...)
Show SMILES CCOc1ccccc1N1CCN(CCCCc2cc(no2)-c2ccc(OC)c(OC)c2)CC1
Show InChI InChI=1S/C27H35N3O4/c1-4-33-25-11-6-5-10-24(25)30-17-15-29(16-18-30)14-8-7-9-22-20-23(28-34-22)21-12-13-26(31-2)27(19-21)32-3/h5-6,10-13,19-20H,4,7-9,14-18H2,1-3H3
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2.60n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]YM-09151-2 from cloned human Dopamine receptor D3 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50112787
PNG
(1-(2-Ethoxy-phenyl)-4-[4-(3-thiophen-2-yl-isoxazol...)
Show SMILES CCOc1ccccc1N1CCN(CCCCc2cc(no2)-c2cccs2)CC1
Show InChI InChI=1S/C23H29N3O2S/c1-2-27-22-10-4-3-9-21(22)26-15-13-25(14-16-26)12-6-5-8-19-18-20(24-28-19)23-11-7-17-29-23/h3-4,7,9-11,17-18H,2,5-6,8,12-16H2,1H3
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3.90n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]YM-09151-2 from cloned human Dopamine receptor D3 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50112806
PNG
(1-(2-Methoxy-phenyl)-4-[4-(3-thiophen-2-yl-isoxazo...)
Show SMILES COc1ccccc1N1CCN(CCCCc2cc(no2)-c2cccs2)CC1
Show InChI InChI=1S/C22H27N3O2S/c1-26-21-9-3-2-8-20(21)25-14-12-24(13-15-25)11-5-4-7-18-17-19(23-27-18)22-10-6-16-28-22/h2-3,6,8-10,16-17H,4-5,7,11-15H2,1H3
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4.70n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]YM-09151-2 from cloned human Dopamine receptor D3 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50336116
PNG
(Ambenonium dichloride | CHEMBL1669479)
Show SMILES C[N+](C)(CCNC(=O)C(=O)NCC[N+](C)(C)Cc1ccccc1Cl)Cc1ccccc1Cl
Show InChI InChI=1S/C24H32Cl2N4O2/c1-29(2,17-19-9-5-7-11-21(19)25)15-13-27-23(31)24(32)28-14-16-30(3,4)18-20-10-6-8-12-22(20)26/h5-12H,13-18H2,1-4H3/p+2
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5n/an/an/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50112792
PNG
(1-{4-[3-(3,4-Dimethoxy-phenyl)-isoxazol-5-yl]-buty...)
Show SMILES COc1ccc(cc1OC)-c1cc(CCCCN2CCN(CC2)c2ccccc2OC)on1
Show InChI InChI=1S/C26H33N3O4/c1-30-24-10-5-4-9-23(24)29-16-14-28(15-17-29)13-7-6-8-21-19-22(27-33-21)20-11-12-25(31-2)26(18-20)32-3/h4-5,9-12,18-19H,6-8,13-17H2,1-3H3
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5.20n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]YM-09151-2 from cloned human Dopamine receptor D3 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50336116
PNG
(Ambenonium dichloride | CHEMBL1669479)
Show SMILES C[N+](C)(CCNC(=O)C(=O)NCC[N+](C)(C)Cc1ccccc1Cl)Cc1ccccc1Cl
Show InChI InChI=1S/C24H32Cl2N4O2/c1-29(2,17-19-9-5-7-11-21(19)25)15-13-27-23(31)24(32)28-14-16-30(3,4)18-20-10-6-8-12-22(20)26/h5-12H,13-18H2,1-4H3/p+2
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6n/an/an/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Non competitive inhibition of human recombinant AChE using ATChCl as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50112813
PNG
(1-(2-Methoxy-phenyl)-4-{4-[3-(3-nitro-phenyl)-isox...)
Show SMILES COc1ccccc1N1CCN(CCCCc2cc([n-][o+]2)-c2cccc(c2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C24H28N4O4/c1-31-24-11-3-2-10-23(24)27-15-13-26(14-16-27)12-5-4-9-21-18-22(25-32-21)19-7-6-8-20(17-19)28(29)30/h2-3,6-8,10-11,17-18H,4-5,9,12-16H2,1H3
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6n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]YM-09151-2 from cloned human Dopamine receptor D3 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50112785
PNG
(1-{4-[3-(2,4-Dimethoxy-phenyl)-isoxazol-5-yl]-buty...)
Show SMILES COc1ccc(-c2cc(CCCCN3CCN(CC3)c3ccccc3OC)on2)c(OC)c1
Show InChI InChI=1S/C26H33N3O4/c1-30-20-11-12-22(26(19-20)32-3)23-18-21(33-27-23)8-6-7-13-28-14-16-29(17-15-28)24-9-4-5-10-25(24)31-2/h4-5,9-12,18-19H,6-8,13-17H2,1-3H3
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6.5n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]YM-09151-2 from cloned human Dopamine receptor D3 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50112795
PNG
(1-(2-Ethoxy-phenyl)-4-[4-(3-phenyl-isoxazol-5-yl)-...)
Show SMILES CCOc1ccccc1N1CCN(CCCCc2cc(no2)-c2ccccc2)CC1
Show InChI InChI=1S/C25H31N3O2/c1-2-29-25-14-7-6-13-24(25)28-18-16-27(17-19-28)15-9-8-12-22-20-23(26-30-22)21-10-4-3-5-11-21/h3-7,10-11,13-14,20H,2,8-9,12,15-19H2,1H3
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9n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]YM-09151-2 from cloned human Dopamine receptor D3 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50112808
PNG
(1-(2-Methoxy-phenyl)-4-[4-(3-phenyl-isoxazol-5-yl)...)
Show SMILES COc1ccccc1N1CCN(CCCCc2cc(no2)-c2ccccc2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-28-24-13-6-5-12-23(24)27-17-15-26(16-18-27)14-8-7-11-21-19-22(25-29-21)20-9-3-2-4-10-20/h2-6,9-10,12-13,19H,7-8,11,14-18H2,1H3
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9.5n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]YM-09151-2 from cloned human Dopamine receptor D3 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50112810
PNG
(1-(2-Fluoro-phenyl)-4-[4-(3-styryl-isoxazol-5-yl)-...)
Show SMILES Fc1ccccc1N1CCN(CCCCc2cc(\C=C\c3ccccc3)no2)CC1
Show InChI InChI=1S/C25H28FN3O/c26-24-11-4-5-12-25(24)29-18-16-28(17-19-29)15-7-6-10-23-20-22(27-30-23)14-13-21-8-2-1-3-9-21/h1-5,8-9,11-14,20H,6-7,10,15-19H2/b14-13+
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10n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]YM-09151-2 from cloned human Dopamine receptor D3 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50005114
PNG
(CHEMBL3093804)
Show SMILES [Br-].[Br-].C(CCCCCC[n+]1cccc2ccccc12)CCCCC[n+]1ccccc1
Show InChI InChI=1S/C26H36N2.2BrH/c1(3-5-7-12-20-27-21-13-9-14-22-27)2-4-6-8-15-23-28-24-16-18-25-17-10-11-19-26(25)28;;/h9-11,13-14,16-19,21-22,24H,1-8,12,15,20,23H2;2*1H/q+2;;/p-2
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10n/an/an/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Non competitive inhibition of human recombinant AChE using ATChCl as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50112809
PNG
(1-{4-[3-(4-Fluoro-phenyl)-isoxazol-5-yl]-butyl}-4-...)
Show SMILES Fc1ccc(cc1)-c1cc(CCCCN2CCN(CC2)c2ccccc2)on1
Show InChI InChI=1S/C23H26FN3O/c24-20-11-9-19(10-12-20)23-18-22(28-25-23)8-4-5-13-26-14-16-27(17-15-26)21-6-2-1-3-7-21/h1-3,6-7,9-12,18H,4-5,8,13-17H2
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12n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]YM-09151-2 from cloned human Dopamine receptor D3 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50112787
PNG
(1-(2-Ethoxy-phenyl)-4-[4-(3-thiophen-2-yl-isoxazol...)
Show SMILES CCOc1ccccc1N1CCN(CCCCc2cc(no2)-c2cccs2)CC1
Show InChI InChI=1S/C23H29N3O2S/c1-2-27-22-10-4-3-9-21(22)26-15-13-25(14-16-26)12-6-5-8-19-18-20(24-28-19)23-11-7-17-29-23/h3-4,7,9-11,17-18H,2,5-6,8,12-16H2,1H3
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12n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]spiperone from the cloned human dopamine receptor D4 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50112799
PNG
(1-(2-Methoxy-phenyl)-4-[4-(3-styryl-isoxazol-5-yl)...)
Show SMILES COc1ccccc1N1CCN(CCCCc2cc(\C=C\c3ccccc3)no2)CC1
Show InChI InChI=1S/C26H31N3O2/c1-30-26-13-6-5-12-25(26)29-19-17-28(18-20-29)16-8-7-11-24-21-23(27-31-24)15-14-22-9-3-2-4-10-22/h2-6,9-10,12-15,21H,7-8,11,16-20H2,1H3/b15-14+
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15n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]YM-09151-2 from cloned human Dopamine receptor D3 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50112794
PNG
(1-Phenyl-4-[4-(3-thiophen-2-yl-isoxazol-5-yl)-buty...)
Show SMILES C(CCc1cc(no1)-c1cccs1)CN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H25N3OS/c1-2-7-18(8-3-1)24-14-12-23(13-15-24)11-5-4-9-19-17-20(22-25-19)21-10-6-16-26-21/h1-3,6-8,10,16-17H,4-5,9,11-15H2
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15n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]YM-09151-2 from cloned human Dopamine receptor D3 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50112786
PNG
(1-Benzhydryl-4-[4-(3-phenyl-isoxazol-5-yl)-butyl]-...)
Show SMILES C(CCc1cc(no1)-c1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H33N3O/c1-4-12-25(13-5-1)29-24-28(34-31-29)18-10-11-19-32-20-22-33(23-21-32)30(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,12-17,24,30H,10-11,18-23H2
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15n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]YM-09151-2 from cloned human Dopamine receptor D3 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50112804
PNG
(1-Benzhydryl-4-{4-[3-(2,4-dimethoxy-phenyl)-isoxaz...)
Show SMILES COc1ccc(-c2cc(CCCCN3CCN(CC3)C(c3ccccc3)c3ccccc3)on2)c(OC)c1
Show InChI InChI=1S/C32H37N3O3/c1-36-27-16-17-29(31(24-27)37-2)30-23-28(38-33-30)15-9-10-18-34-19-21-35(22-20-34)32(25-11-5-3-6-12-25)26-13-7-4-8-14-26/h3-8,11-14,16-17,23-24,32H,9-10,15,18-22H2,1-2H3
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16n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]YM-09151-2 from cloned human Dopamine receptor D3 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50112807
PNG
(1-{4-[3-(2,4-Dimethoxy-phenyl)-isoxazol-5-yl]-buty...)
Show SMILES COc1ccc(-c2cc(CCCCN3CCN(CC3)c3ccccc3)on2)c(OC)c1
Show InChI InChI=1S/C25H31N3O3/c1-29-21-11-12-23(25(19-21)30-2)24-18-22(31-26-24)10-6-7-13-27-14-16-28(17-15-27)20-8-4-3-5-9-20/h3-5,8-9,11-12,18-19H,6-7,10,13-17H2,1-2H3
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16n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]YM-09151-2 from cloned human Dopamine receptor D3 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50112812
PNG
(1-Phenyl-4-[4-(3-phenyl-isoxazol-5-yl)-butyl]-pipe...)
Show SMILES C(CCc1cc(no1)-c1ccccc1)CN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C23H27N3O/c1-3-9-20(10-4-1)23-19-22(27-24-23)13-7-8-14-25-15-17-26(18-16-25)21-11-5-2-6-12-21/h1-6,9-12,19H,7-8,13-18H2
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18n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]YM-09151-2 from cloned human Dopamine receptor D3 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
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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18n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]spiperone from the cloned human Dopamine receptor D2 long expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50112788
PNG
(1-Benzhydryl-4-{4-[3-(3-nitro-phenyl)-isoxazol-5-y...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1cc(CCCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)[o+][n-]1
Show InChI InChI=1S/C30H32N4O3/c35-34(36)27-15-9-14-26(22-27)29-23-28(37-31-29)16-7-8-17-32-18-20-33(21-19-32)30(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-6,9-15,22-23,30H,7-8,16-21H2
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19n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]YM-09151-2 from cloned human Dopamine receptor D3 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50112790
PNG
(1-(2-Ethoxy-phenyl)-4-{4-[3-(3-nitro-phenyl)-isoxa...)
Show SMILES CCOc1ccccc1N1CCN(CCCCc2cc([n-][o+]2)-c2cccc(c2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C25H30N4O4/c1-2-32-25-12-4-3-11-24(25)28-16-14-27(15-17-28)13-6-5-10-22-19-23(26-33-22)20-8-7-9-21(18-20)29(30)31/h3-4,7-9,11-12,18-19H,2,5-6,10,13-17H2,1H3
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19n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]YM-09151-2 from cloned human Dopamine receptor D3 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50112805
PNG
(1-{4-[3-(3,4-Dimethoxy-phenyl)-isoxazol-5-yl]-buty...)
Show SMILES COc1ccc(cc1OC)-c1cc(CCCCN2CCN(CC2)c2ccccc2F)on1
Show InChI InChI=1S/C25H30FN3O3/c1-30-24-11-10-19(17-25(24)31-2)22-18-20(32-27-22)7-5-6-12-28-13-15-29(16-14-28)23-9-4-3-8-21(23)26/h3-4,8-11,17-18H,5-7,12-16H2,1-2H3
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20n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]YM-09151-2 from cloned human Dopamine receptor D3 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50005114
PNG
(CHEMBL3093804)
Show SMILES [Br-].[Br-].C(CCCCCC[n+]1cccc2ccccc12)CCCCC[n+]1ccccc1
Show InChI InChI=1S/C26H36N2.2BrH/c1(3-5-7-12-20-27-21-13-9-14-22-27)2-4-6-8-15-23-28-24-16-18-25-17-10-11-19-26(25)28;;/h9-11,13-14,16-19,21-22,24H,1-8,12,15,20,23H2;2*1H/q+2;;/p-2
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20n/an/an/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50112801
PNG
(1-Benzhydryl-4-{4-[3-(3,4-dimethoxy-phenyl)-isoxaz...)
Show SMILES COc1ccc(cc1OC)-c1cc(CCCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)on1
Show InChI InChI=1S/C32H37N3O3/c1-36-30-17-16-27(23-31(30)37-2)29-24-28(38-33-29)15-9-10-18-34-19-21-35(22-20-34)32(25-11-5-3-6-12-25)26-13-7-4-8-14-26/h3-8,11-14,16-17,23-24,32H,9-10,15,18-22H2,1-2H3
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20n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]YM-09151-2 from cloned human Dopamine receptor D3 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50112806
PNG
(1-(2-Methoxy-phenyl)-4-[4-(3-thiophen-2-yl-isoxazo...)
Show SMILES COc1ccccc1N1CCN(CCCCc2cc(no2)-c2cccs2)CC1
Show InChI InChI=1S/C22H27N3O2S/c1-26-21-9-3-2-8-20(21)25-14-12-24(13-15-25)11-5-4-7-18-17-19(23-27-18)22-10-6-16-28-22/h2-3,6,8-10,16-17H,4-5,7,11-15H2,1H3
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21n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]spiperone from the cloned human dopamine receptor D4 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50112814
PNG
(1-{4-[3-(4-Fluoro-phenyl)-isoxazol-5-yl]-butyl}-4-...)
Show SMILES COc1ccccc1N1CCN(CCCCc2cc(no2)-c2ccc(F)cc2)CC1
Show InChI InChI=1S/C24H28FN3O2/c1-29-24-8-3-2-7-23(24)28-16-14-27(15-17-28)13-5-4-6-21-18-22(26-30-21)19-9-11-20(25)12-10-19/h2-3,7-12,18H,4-6,13-17H2,1H3
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23n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]YM-09151-2 from cloned human Dopamine receptor D3 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50112793
PNG
(1-{4-[3-(3,4-Dimethoxy-phenyl)-isoxazol-5-yl]-buty...)
Show SMILES COc1ccc(cc1OC)-c1cc(CCCCN2CCN(CC2)c2ccccc2)on1
Show InChI InChI=1S/C25H31N3O3/c1-29-24-12-11-20(18-25(24)30-2)23-19-22(31-26-23)10-6-7-13-27-14-16-28(17-15-27)21-8-4-3-5-9-21/h3-5,8-9,11-12,18-19H,6-7,10,13-17H2,1-2H3
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24n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]YM-09151-2 from cloned human Dopamine receptor D3 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
D(3) 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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25n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]YM-09151-2 from cloned human Dopamine receptor D3 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50112802
PNG
(1-Phenyl-4-[4-(3-styryl-isoxazol-5-yl)-butyl]-pipe...)
Show SMILES C(CCc1cc(\C=C\c2ccccc2)no1)CN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C25H29N3O/c1-3-9-22(10-4-1)14-15-23-21-25(29-26-23)13-7-8-16-27-17-19-28(20-18-27)24-11-5-2-6-12-24/h1-6,9-12,14-15,21H,7-8,13,16-20H2/b15-14+
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27n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]YM-09151-2 from cloned human Dopamine receptor D3 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50112797
PNG
(1-{4-[3-(3,4-Dimethoxy-phenyl)-isoxazol-5-yl]-buty...)
Show SMILES CCOc1ccccc1N1CCN(CCCCc2cc(no2)-c2ccc(OC)c(OC)c2)CC1
Show InChI InChI=1S/C27H35N3O4/c1-4-33-25-11-6-5-10-24(25)30-17-15-29(16-18-30)14-8-7-9-22-20-23(28-34-22)21-12-13-26(31-2)27(19-21)32-3/h5-6,10-13,19-20H,4,7-9,14-18H2,1-3H3
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28n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]spiperone from the cloned human dopamine receptor D4 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50112800
PNG
(1-Benzhydryl-4-{4-[3-(4-fluoro-phenyl)-isoxazol-5-...)
Show SMILES Fc1ccc(cc1)-c1cc(CCCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)on1
Show InChI InChI=1S/C30H32FN3O/c31-27-16-14-24(15-17-27)29-23-28(35-32-29)13-7-8-18-33-19-21-34(22-20-33)30(25-9-3-1-4-10-25)26-11-5-2-6-12-26/h1-6,9-12,14-17,23,30H,7-8,13,18-22H2
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30n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]YM-09151-2 from cloned human Dopamine receptor D3 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM8443
PNG
(2-[(5Z)-5-({5-[2-chloro-5-(trifluoromethyl)phenyl]...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2cc(ccc2Cl)C(F)(F)F)C1=O
Show InChI InChI=1S/C17H9ClF3NO4S2/c18-11-3-1-8(17(19,20)21)5-10(11)12-4-2-9(26-12)6-13-15(25)22(7-14(23)24)16(27)28-13/h1-6H,7H2,(H,23,24)/b13-6-
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32n/an/an/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...


Proc Natl Acad Sci U S A 102: 9499-504 (2005)


Article DOI: 10.1073/pnas.0502733102
BindingDB Entry DOI: 10.7270/Q2TM78BQ
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50112814
PNG
(1-{4-[3-(4-Fluoro-phenyl)-isoxazol-5-yl]-butyl}-4-...)
Show SMILES COc1ccccc1N1CCN(CCCCc2cc(no2)-c2ccc(F)cc2)CC1
Show InChI InChI=1S/C24H28FN3O2/c1-29-24-8-3-2-7-23(24)28-16-14-27(15-17-28)13-5-4-6-21-18-22(26-30-21)19-9-11-20(25)12-10-19/h2-3,7-12,18H,4-6,13-17H2,1H3
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33n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]spiperone from the cloned human dopamine receptor D4 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50112795
PNG
(1-(2-Ethoxy-phenyl)-4-[4-(3-phenyl-isoxazol-5-yl)-...)
Show SMILES CCOc1ccccc1N1CCN(CCCCc2cc(no2)-c2ccccc2)CC1
Show InChI InChI=1S/C25H31N3O2/c1-2-29-25-14-7-6-13-24(25)28-18-16-27(17-19-28)15-9-8-12-22-20-23(26-30-22)21-10-4-3-5-11-21/h3-7,10-11,13-14,20H,2,8-9,12,15-19H2,1H3
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34n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]spiperone from the cloned human dopamine receptor D4 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50112785
PNG
(1-{4-[3-(2,4-Dimethoxy-phenyl)-isoxazol-5-yl]-buty...)
Show SMILES COc1ccc(-c2cc(CCCCN3CCN(CC3)c3ccccc3OC)on2)c(OC)c1
Show InChI InChI=1S/C26H33N3O4/c1-30-20-11-12-22(26(19-20)32-3)23-18-21(33-27-23)8-6-7-13-28-14-16-29(17-15-28)24-9-4-5-10-25(24)31-2/h4-5,9-12,18-19H,6-8,13-17H2,1-3H3
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34n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]spiperone from the cloned human dopamine receptor D4 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50112789
PNG
(1-{4-[3-(3,4-Dimethoxy-phenyl)-isoxazol-5-yl]-buty...)
Show SMILES COc1ccc(cc1OC)-c1cc(CCCCN2CCN(CC2)c2ccccc2C)on1
Show InChI InChI=1S/C26H33N3O3/c1-20-8-4-5-10-24(20)29-16-14-28(15-17-29)13-7-6-9-22-19-23(27-32-22)21-11-12-25(30-2)26(18-21)31-3/h4-5,8,10-12,18-19H,6-7,9,13-17H2,1-3H3
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38n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]YM-09151-2 from cloned human Dopamine receptor D3 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50112791
PNG
(1-Benzhydryl-4-[4-(3-styryl-isoxazol-5-yl)-butyl]-...)
Show SMILES C(CCc1cc(\C=C\c2ccccc2)no1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H35N3O/c1-4-12-27(13-5-1)19-20-30-26-31(36-33-30)18-10-11-21-34-22-24-35(25-23-34)32(28-14-6-2-7-15-28)29-16-8-3-9-17-29/h1-9,12-17,19-20,26,32H,10-11,18,21-25H2/b20-19+
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40n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]YM-09151-2 from cloned human Dopamine receptor D3 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
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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42n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]spiperone from the cloned human dopamine receptor D4 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50112813
PNG
(1-(2-Methoxy-phenyl)-4-{4-[3-(3-nitro-phenyl)-isox...)
Show SMILES COc1ccccc1N1CCN(CCCCc2cc([n-][o+]2)-c2cccc(c2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C24H28N4O4/c1-31-24-11-3-2-10-23(24)27-15-13-26(14-16-27)12-5-4-9-21-18-22(25-32-21)19-7-6-8-20(17-19)28(29)30/h2-3,6-8,10-11,17-18H,4-5,9,12-16H2,1H3
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50n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]spiperone from the cloned human dopamine receptor D4 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50133473
PNG
(CHEMBL3632994)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1/C35H46ClN3O3/c1-22-23(2)33-26(24(3)32(22)40)17-18-35(4,42-33)34(41)38-20-12-8-6-5-7-11-19-37-31-27-13-9-10-14-29(27)39-30-21-25(36)15-16-28(30)31/h15-16,21,40H,5-14,17-20H2,1-4H3,(H,37,39)(H,38,41)
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50n/an/an/an/an/an/an/an/a



University Hospital Hradec Kralove

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured...


J Med Chem 58: 8985-9003 (2015)


BindingDB Entry DOI: 10.7270/Q29P33GZ
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM10624
PNG
(1,5-bis(4-allyldimethylammoniumphenyl)-pentan-3-on...)
Show SMILES C[N+](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C)cc1
Show InChI InChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2
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50n/an/an/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Non competitive inhibition of human recombinant AChE using ATChCl as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50112790
PNG
(1-(2-Ethoxy-phenyl)-4-{4-[3-(3-nitro-phenyl)-isoxa...)
Show SMILES CCOc1ccccc1N1CCN(CCCCc2cc([n-][o+]2)-c2cccc(c2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C25H30N4O4/c1-2-32-25-12-4-3-11-24(25)28-16-14-27(15-17-28)13-6-5-10-22-19-23(26-33-22)20-8-7-9-21(18-20)29(30)31/h3-4,7-9,11-12,18-19H,2,5-6,10,13-17H2,1H3
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51n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]spiperone from the cloned human dopamine receptor D4 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50112803
PNG
(1-Benzhydryl-4-[4-(3-thiophen-2-yl-isoxazol-5-yl)-...)
Show SMILES C(CCc1cc(no1)-c1cccs1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H31N3OS/c1-3-10-23(11-4-1)28(24-12-5-2-6-13-24)31-19-17-30(18-20-31)16-8-7-14-25-22-26(29-32-25)27-15-9-21-33-27/h1-6,9-13,15,21-22,28H,7-8,14,16-20H2
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52n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]YM-09151-2 from cloned human Dopamine receptor D3 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50112810
PNG
(1-(2-Fluoro-phenyl)-4-[4-(3-styryl-isoxazol-5-yl)-...)
Show SMILES Fc1ccccc1N1CCN(CCCCc2cc(\C=C\c3ccccc3)no2)CC1
Show InChI InChI=1S/C25H28FN3O/c26-24-11-4-5-12-25(24)29-18-16-28(17-19-29)15-7-6-10-23-20-22(27-30-23)14-13-21-8-2-1-3-9-21/h1-5,8-9,11-14,20H,6-7,10,15-19H2/b14-13+
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58n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]spiperone from the cloned human dopamine receptor D4 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50112798
PNG
(1-{4-[3-(3-Nitro-phenyl)-isoxazol-5-yl]-butyl}-4-p...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1cc(CCCCN2CCN(CC2)c2ccccc2)[o+][n-]1
Show InChI InChI=1S/C23H26N4O3/c28-27(29)21-10-6-7-19(17-21)23-18-22(30-24-23)11-4-5-12-25-13-15-26(16-14-25)20-8-2-1-3-9-20/h1-3,6-10,17-18H,4-5,11-16H2
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60n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]YM-09151-2 from cloned human Dopamine receptor D3 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50112807
PNG
(1-{4-[3-(2,4-Dimethoxy-phenyl)-isoxazol-5-yl]-buty...)
Show SMILES COc1ccc(-c2cc(CCCCN3CCN(CC3)c3ccccc3)on2)c(OC)c1
Show InChI InChI=1S/C25H31N3O3/c1-29-21-11-12-23(25(19-21)30-2)24-18-22(31-26-24)10-6-7-13-27-14-16-28(17-15-27)20-8-4-3-5-9-20/h3-5,8-9,11-12,18-19H,6-7,10,13-17H2,1-2H3
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76n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]spiperone from the cloned human dopamine receptor D4 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50112799
PNG
(1-(2-Methoxy-phenyl)-4-[4-(3-styryl-isoxazol-5-yl)...)
Show SMILES COc1ccccc1N1CCN(CCCCc2cc(\C=C\c3ccccc3)no2)CC1
Show InChI InChI=1S/C26H31N3O2/c1-30-26-13-6-5-12-25(26)29-19-17-28(18-20-29)16-8-7-11-24-21-23(27-31-24)15-14-22-9-3-2-4-10-22/h2-6,9-10,12-15,21H,7-8,11,16-20H2,1H3/b15-14+
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88n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]spiperone from the cloned human dopamine receptor D4 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50112790
PNG
(1-(2-Ethoxy-phenyl)-4-{4-[3-(3-nitro-phenyl)-isoxa...)
Show SMILES CCOc1ccccc1N1CCN(CCCCc2cc([n-][o+]2)-c2cccc(c2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C25H30N4O4/c1-2-32-25-12-4-3-11-24(25)28-16-14-27(15-17-28)13-6-5-10-22-19-23(26-33-22)20-8-7-9-21(18-20)29(30)31/h3-4,7-9,11-12,18-19H,2,5-6,10,13-17H2,1H3
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95n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]spiperone from the cloned human Dopamine receptor D2 long expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
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