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Compile Data Set for Download or QSAR

Found 1669 hits with Last Name = 'pae' and Initial = 'an'   
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
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50313283
PNG
(1-{2-[4-(6-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Fc1ccc2c(c[nH]c2c1)C1=CCN(CCN2c3cccc4CCCN(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C24H25FN4O2S/c25-19-6-7-20-21(16-26-22(20)15-19)17-8-11-27(12-9-17)13-14-28-23-5-1-3-18-4-2-10-29(24(18)23)32(28,30)31/h1,3,5-8,15-16,26H,2,4,9-14H2
MMDB

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0.810n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-HT2A receptor


Bioorg Med Chem Lett 20: 1705-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.093
BindingDB Entry DOI: 10.7270/Q2SN093C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50298360
PNG
((R)-1-(7-ethyl-1H-furo[2,3-g]indazol-1-yl)propan-2...)
Show SMILES CCc1cc2c(ccc3cnn(C[C@@H](C)N)c23)o1
Show InChI InChI=1/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3/t9-/s2
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0.890n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor


Bioorg Med Chem 17: 4559-68 (2009)


Article DOI: 10.1016/j.bmc.2009.05.003
BindingDB Entry DOI: 10.7270/Q20V8CV1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50298361
PNG
((R)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-am...)
Show SMILES C[C@@H](N)Cn1ccc2cc(F)c(Cl)cc12
Show InChI InChI=1/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/s2
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1n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor


Bioorg Med Chem 17: 4559-68 (2009)


Article DOI: 10.1016/j.bmc.2009.05.003
BindingDB Entry DOI: 10.7270/Q20V8CV1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50257963
PNG
(2-(3-chlorobenzyloxy)-6-(piperazin-1-yl)pyrazine |...)
Show SMILES Clc1cccc(COc2cncc(n2)N2CCNCC2)c1
Show InChI InChI=1S/C15H17ClN4O/c16-13-3-1-2-12(8-13)11-21-15-10-18-9-14(19-15)20-6-4-17-5-7-20/h1-3,8-10,17H,4-7,11H2
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1n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor


Bioorg Med Chem 17: 4559-68 (2009)


Article DOI: 10.1016/j.bmc.2009.05.003
BindingDB Entry DOI: 10.7270/Q20V8CV1
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50257011
PNG
((S)-7-(2-(cyclopropylmethoxy)-6-hydroxyphenyl)-5-(...)
Show SMILES Oc1cccc(OCC2CC2)c1-c1cc([C@@H]2CCCNC2)c2COC(=O)Nc2n1
Show InChI InChI=1/C22H25N3O4/c26-18-4-1-5-19(28-11-13-6-7-13)20(18)17-9-15(14-3-2-8-23-10-14)16-12-29-22(27)25-21(16)24-17/h1,4-5,9,13-14,23,26H,2-3,6-8,10-12H2,(H,24,25,27)/t14-/s2
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2n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta (unknown origin) by TR-FRET assay


Bioorg Med Chem 17: 2759-66 (2009)


Article DOI: 10.1016/j.bmc.2009.02.041
BindingDB Entry DOI: 10.7270/Q2MW2H1K
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50313283
PNG
(1-{2-[4-(6-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Fc1ccc2c(c[nH]c2c1)C1=CCN(CCN2c3cccc4CCCN(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C24H25FN4O2S/c25-19-6-7-20-21(16-26-22(20)15-19)17-8-11-27(12-9-17)13-14-28-23-5-1-3-18-4-2-10-29(24(18)23)32(28,30)31/h1,3,5-8,15-16,26H,2,4,9-14H2
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2.30n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Inhibition of SERT


Bioorg Med Chem Lett 20: 1705-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.093
BindingDB Entry DOI: 10.7270/Q2SN093C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50298362
PNG
((R)-3-methyl-1-(4-(trifluoromethyl)-2,3-dihydroben...)
Show SMILES C[C@@H]1CN(CCN1)c1ccc(c2ccoc12)C(F)(F)F
Show InChI InChI=1/C14H15F3N2O/c1-9-8-19(6-5-18-9)12-3-2-11(14(15,16)17)10-4-7-20-13(10)12/h2-4,7,9,18H,5-6,8H2,1H3/t9-/s2
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2.40n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor


Bioorg Med Chem 17: 4559-68 (2009)


Article DOI: 10.1016/j.bmc.2009.05.003
BindingDB Entry DOI: 10.7270/Q20V8CV1
More data for this
Ligand-Target Pair
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)


Article DOI: 10.1016/s0960-894x(02)00179-8
BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50159089
PNG
(CHEMBL180523 | N,N-Dibutyl-2-[6,8-dichloro-2-(4-ch...)
Show SMILES CCCCN(CCCC)C(=O)Cc1c(nc2c(Cl)cc(Cl)cn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H26Cl3N3O/c1-3-5-11-28(12-6-4-2)21(30)14-20-22(16-7-9-17(24)10-8-16)27-23-19(26)13-18(25)15-29(20)23/h7-10,13,15H,3-6,11-12,14H2,1-2H3
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2.70n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of TSPO (unknown origin)


Eur J Med Chem 125: 1172-1192 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.017
BindingDB Entry DOI: 10.7270/Q25Q4Z83
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50045877
PNG
(2-(2-(4-fluorophenyl)-1H-indol-3-yl)-N,N-dihexylac...)
Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C28H37FN2O/c1-3-5-7-11-19-31(20-12-8-6-4-2)27(32)21-25-24-13-9-10-14-26(24)30-28(25)22-15-17-23(29)18-16-22/h9-10,13-18,30H,3-8,11-12,19-21H2,1-2H3
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3.30n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of TSPO (unknown origin)


Eur J Med Chem 125: 1172-1192 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.017
BindingDB Entry DOI: 10.7270/Q25Q4Z83
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50091831
PNG
((R)-8,9-Dichloro-2,3,4,4a-tetrahydro-1H,6H-pyrazin...)
Show SMILES Clc1cc2NC(=O)[C@H]3CNCCN3c2cc1Cl
Show InChI InChI=1S/C11H11Cl2N3O/c12-6-3-8-9(4-7(6)13)16-2-1-14-5-10(16)11(17)15-8/h3-4,10,14H,1-2,5H2,(H,15,17)/t10-/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor


Bioorg Med Chem 17: 4559-68 (2009)


Article DOI: 10.1016/j.bmc.2009.05.003
BindingDB Entry DOI: 10.7270/Q20V8CV1
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)


Article DOI: 10.1016/s0960-894x(02)00179-8
BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50179073
PNG
((4R,9aR)-6-Cyclopropylmethoxymethyl-4-methyl-1,2,3...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(COCC4CC4)nc3N12
Show InChI InChI=1S/C16H23N3O/c1-11-7-17-8-15-6-13-4-5-14(18-16(13)19(11)15)10-20-9-12-2-3-12/h4-5,11-12,15,17H,2-3,6-10H2,1H3/t11-,15-/m1/s1
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4n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor


Bioorg Med Chem 17: 4559-68 (2009)


Article DOI: 10.1016/j.bmc.2009.05.003
BindingDB Entry DOI: 10.7270/Q20V8CV1
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)


Article DOI: 10.1016/s0960-894x(02)00179-8
BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50298359
PNG
((8aR,12aS)-2-(2,6-difluorophenyl)-6,7,8a,9,10,11,1...)
Show SMILES Fc1cccc(F)c1-c1cc2[C@H]3CNCC[C@H]3N3CCCSc(c1)c23
Show InChI InChI=1/C20H20F2N2S/c21-15-3-1-4-16(22)19(15)12-9-13-14-11-23-6-5-17(14)24-7-2-8-25-18(10-12)20(13)24/h1,3-4,9-10,14,17,23H,2,5-8,11H2/t14-,17-/s2
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5.20n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor


Bioorg Med Chem 17: 4559-68 (2009)


Article DOI: 10.1016/j.bmc.2009.05.003
BindingDB Entry DOI: 10.7270/Q20V8CV1
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)


Article DOI: 10.1016/s0960-894x(02)00179-8
BindingDB Entry DOI: 10.7270/Q2C53MC8
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)


Article DOI: 10.1016/s0960-894x(02)00179-8
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)


Article DOI: 10.1016/s0960-894x(02)00179-8
BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM22032
PNG
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
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8.90n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat cerebral cortex membranes after 60 mins by microbeta liquid scintillation counting method


Eur J Med Chem 125: 1172-1192 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.017
BindingDB Entry DOI: 10.7270/Q25Q4Z83
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)


Article DOI: 10.1016/s0960-894x(02)00179-8
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)


Article DOI: 10.1016/s0960-894x(02)00179-8
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)


Article DOI: 10.1016/s0960-894x(02)00179-8
BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
D(4) 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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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)


Article DOI: 10.1016/s0960-894x(02)00179-8
BindingDB Entry DOI: 10.7270/Q2C53MC8
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)


Article DOI: 10.1016/s0960-894x(02)00179-8
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)


Article DOI: 10.1016/s0960-894x(02)00179-8
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)


Article DOI: 10.1016/s0960-894x(02)00179-8
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)


Article DOI: 10.1016/s0960-894x(02)00179-8
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)


Article DOI: 10.1016/s0960-894x(02)00179-8
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)


Article DOI: 10.1016/s0960-894x(02)00179-8
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)


Article DOI: 10.1016/s0960-894x(02)00179-8
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)


Article DOI: 10.1016/s0960-894x(02)00179-8
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)


Article DOI: 10.1016/s0960-894x(02)00179-8
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)


Article DOI: 10.1016/s0960-894x(02)00179-8
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)


Article DOI: 10.1016/s0960-894x(02)00179-8
BindingDB Entry DOI: 10.7270/Q2C53MC8
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)


Article DOI: 10.1016/s0960-894x(02)00179-8
BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
D(4) 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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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)


Article DOI: 10.1016/s0960-894x(02)00179-8
BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50313284
PNG
((S)-2-((7-fluoro-2,3-dihydro-1H-inden-4-yloxy)meth...)
Show SMILES Fc1ccc(OC[C@@H]2CNCCO2)c2CCCc12
Show InChI InChI=1/C14H18FNO2/c15-13-4-5-14(12-3-1-2-11(12)13)18-9-10-8-16-6-7-17-10/h4-5,10,16H,1-3,6-9H2/t10-/s2
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21n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Inhibition of SERT


Bioorg Med Chem Lett 20: 1705-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.093
BindingDB Entry DOI: 10.7270/Q2SN093C
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50210940
PNG
(CHEMBL3948914)
Show SMILES CC(C)c1ccc(C)c(NC(=O)Cn2c(Cc3c(Cl)cccc3Cl)nc3ccccc23)c1
Show InChI InChI=1S/C26H25Cl2N3O/c1-16(2)18-12-11-17(3)23(13-18)30-26(32)15-31-24-10-5-4-9-22(24)29-25(31)14-19-20(27)7-6-8-21(19)28/h4-13,16H,14-15H2,1-3H3,(H,30,32)
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23n/an/an/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat cerebral cortex membranes after 60 mins by microbeta liquid scintillation counting method


Eur J Med Chem 125: 1172-1192 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.017
BindingDB Entry DOI: 10.7270/Q25Q4Z83
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)


Article DOI: 10.1016/s0960-894x(02)00179-8
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)


Article DOI: 10.1016/s0960-894x(02)00179-8
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)


Article DOI: 10.1016/s0960-894x(02)00179-8
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)


Article DOI: 10.1016/s0960-894x(02)00179-8
BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
D(4) 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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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)


Article DOI: 10.1016/s0960-894x(02)00179-8
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)


Article DOI: 10.1016/s0960-894x(02)00179-8
BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
D(4) 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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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)


Article DOI: 10.1016/s0960-894x(02)00179-8
BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
D(4) 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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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)


Article DOI: 10.1016/s0960-894x(02)00179-8
BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
D(4) 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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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)


Article DOI: 10.1016/s0960-894x(02)00179-8
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)


Article DOI: 10.1016/s0960-894x(02)00179-8
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)


Article DOI: 10.1016/s0960-894x(02)00179-8
BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
D(4) 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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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)


Article DOI: 10.1016/s0960-894x(02)00179-8
BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
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