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Compile Data Set for Download or QSAR

Found 85 hits with Last Name = 'paul' and Initial = 'nm'   
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))
BDBM50253620
PNG
(CHEMBL523328 | endo-8-(Benzofur-3-ylmethyl)-3-(3,4...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccccc12)c1ccc(Cl)c(Cl)c1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H21Cl2NO2/c23-19-8-5-15(9-20(19)24)22(26)10-16-6-7-17(11-22)25(16)12-14-13-27-21-4-2-1-3-18(14)21/h1-5,8-9,13,16-17,26H,6-7,10-12H2
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0.340n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50253638
PNG
(CHEMBL518816 | endo-8-(5-Fluorobenzofur-3-ylmethyl...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccc(F)cc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:20:1:4.5:8|
Show InChI InChI=1S/C22H21ClFNO2/c23-16-3-1-15(2-4-16)22(26)10-18-6-7-19(11-22)25(18)12-14-13-27-21-8-5-17(24)9-20(14)21/h1-5,8-9,13,18-19,26H,6-7,10-12H2
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0.370n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50253664
PNG
(CHEMBL518037 | endo-8-(5-Fluorobenzofur-3-ylmethyl...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccc(F)cc12)c1ccc(Cl)c(Cl)c1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:20:1:4.5:8|
Show InChI InChI=1S/C22H20Cl2FNO2/c23-19-5-1-14(7-20(19)24)22(27)9-16-3-4-17(10-22)26(16)11-13-12-28-21-6-2-15(25)8-18(13)21/h1-2,5-8,12,16-17,27H,3-4,9-11H2
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0.530n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50253619
PNG
(CHEMBL493278 | endo-8-(Benzofur-3-ylmethyl)-3-(4-c...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccccc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H22ClNO2/c23-17-7-5-16(6-8-17)22(25)11-18-9-10-19(12-22)24(18)13-15-14-26-21-4-2-1-3-20(15)21/h1-8,14,18-19,25H,9-13H2
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0.710n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50253636
PNG
(CHEMBL461835 | endo-8-(Benzofur-3-ylmethyl)-3-(4-b...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccccc12)c1ccc(Br)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H22BrNO2/c23-17-7-5-16(6-8-17)22(25)11-18-9-10-19(12-22)24(18)13-15-14-26-21-4-2-1-3-20(15)21/h1-8,14,18-19,25H,9-13H2
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0.920n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50253619
PNG
(CHEMBL493278 | endo-8-(Benzofur-3-ylmethyl)-3-(4-c...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccccc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H22ClNO2/c23-17-7-5-16(6-8-17)22(25)11-18-9-10-19(12-22)24(18)13-15-14-26-21-4-2-1-3-20(15)21/h1-8,14,18-19,25H,9-13H2
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1.06n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50253635
PNG
(CHEMBL517588 | endo-8-(Benzofur-3-ylmethyl)-3-(4-f...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccccc12)c1ccc(F)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H22FNO2/c23-17-7-5-16(6-8-17)22(25)11-18-9-10-19(12-22)24(18)13-15-14-26-21-4-2-1-3-20(15)21/h1-8,14,18-19,25H,9-13H2
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1.20n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50253638
PNG
(CHEMBL518816 | endo-8-(5-Fluorobenzofur-3-ylmethyl...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccc(F)cc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:20:1:4.5:8|
Show InChI InChI=1S/C22H21ClFNO2/c23-16-3-1-15(2-4-16)22(26)10-18-6-7-19(11-22)25(18)12-14-13-27-21-8-5-17(24)9-20(14)21/h1-5,8-9,13,18-19,26H,6-7,10-12H2
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1.20n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50253664
PNG
(CHEMBL518037 | endo-8-(5-Fluorobenzofur-3-ylmethyl...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccc(F)cc12)c1ccc(Cl)c(Cl)c1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:20:1:4.5:8|
Show InChI InChI=1S/C22H20Cl2FNO2/c23-19-5-1-14(7-20(19)24)22(27)9-16-3-4-17(10-22)26(16)11-13-12-28-21-6-2-15(25)8-18(13)21/h1-2,5-8,12,16-17,27H,3-4,9-11H2
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1.40n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50253636
PNG
(CHEMBL461835 | endo-8-(Benzofur-3-ylmethyl)-3-(4-b...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccccc12)c1ccc(Br)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H22BrNO2/c23-17-7-5-16(6-8-17)22(25)11-18-9-10-19(12-22)24(18)13-15-14-26-21-4-2-1-3-20(15)21/h1-8,14,18-19,25H,9-13H2
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1.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50253637
PNG
(CHEMBL462043 | endo-8-(5-Methoxybenzofur-3-ylmethy...)
Show SMILES COc1ccc2occ(CN3C4CCC3CC(O)(C4)c3ccc(Cl)cc3)c2c1 |TLB:9:10:12.13:18.16.15,19:16:12.13:10,THB:17:16:12.13:10|
Show InChI InChI=1S/C23H24ClNO3/c1-27-20-8-9-22-21(10-20)15(14-28-22)13-25-18-6-7-19(25)12-23(26,11-18)16-2-4-17(24)5-3-16/h2-5,8-10,14,18-19,26H,6-7,11-13H2,1H3
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1.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50253620
PNG
(CHEMBL523328 | endo-8-(Benzofur-3-ylmethyl)-3-(3,4...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccccc12)c1ccc(Cl)c(Cl)c1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H21Cl2NO2/c23-19-8-5-15(9-20(19)24)22(26)10-16-6-7-17(11-22)25(16)12-14-13-27-21-4-2-1-3-18(14)21/h1-5,8-9,13,16-17,26H,6-7,10-12H2
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1.70n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50253663
PNG
(CHEMBL461197 | endo-8-(Naphtho[1,2-b]fur-3-ylmethy...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2c1ccc1ccccc21)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:23:1:4.5:8|
Show InChI InChI=1S/C26H24ClNO2/c27-20-8-6-19(7-9-20)26(29)13-21-10-11-22(14-26)28(21)15-18-16-30-25-23-4-2-1-3-17(23)5-12-24(18)25/h1-9,12,16,21-22,29H,10-11,13-15H2
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2n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50253637
PNG
(CHEMBL462043 | endo-8-(5-Methoxybenzofur-3-ylmethy...)
Show SMILES COc1ccc2occ(CN3C4CCC3CC(O)(C4)c3ccc(Cl)cc3)c2c1 |TLB:9:10:12.13:18.16.15,19:16:12.13:10,THB:17:16:12.13:10|
Show InChI InChI=1S/C23H24ClNO3/c1-27-20-8-9-22-21(10-20)15(14-28-22)13-25-18-6-7-19(25)12-23(26,11-18)16-2-4-17(24)5-3-16/h2-5,8-10,14,18-19,26H,6-7,11-13H2,1H3
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2.10n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50253616
PNG
(CHEMBL493276 | endo-8-(Benzothien-3-ylmethyl)-3-(4...)
Show SMILES OC1(CC2CCC(C1)N2Cc1csc2ccccc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H22ClNOS/c23-17-7-5-16(6-8-17)22(25)11-18-9-10-19(12-22)24(18)13-15-14-26-21-4-2-1-3-20(15)21/h1-8,14,18-19,25H,9-13H2
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3.62n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50253635
PNG
(CHEMBL517588 | endo-8-(Benzofur-3-ylmethyl)-3-(4-f...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccccc12)c1ccc(F)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H22FNO2/c23-17-7-5-16(6-8-17)22(25)11-18-9-10-19(12-22)24(18)13-15-14-26-21-4-2-1-3-20(15)21/h1-8,14,18-19,25H,9-13H2
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4.90n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50253663
PNG
(CHEMBL461197 | endo-8-(Naphtho[1,2-b]fur-3-ylmethy...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2c1ccc1ccccc21)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:23:1:4.5:8|
Show InChI InChI=1S/C26H24ClNO2/c27-20-8-6-19(7-9-20)26(29)13-21-10-11-22(14-26)28(21)15-18-16-30-25-23-4-2-1-3-17(23)5-12-24(18)25/h1-9,12,16,21-22,29H,10-11,13-15H2
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5.60n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50253550
PNG
(CHEMBL523719 | endo-8-(1H-Indol-3-ylmethyl)-3-(3,4...)
Show SMILES OC1(CC2CCC(C1)N2Cc1c[nH]c2ccccc12)c1ccc(Cl)c(Cl)c1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H22Cl2N2O/c23-19-8-5-15(9-20(19)24)22(27)10-16-6-7-17(11-22)26(16)13-14-12-25-21-4-2-1-3-18(14)21/h1-5,8-9,12,16-17,25,27H,6-7,10-11,13H2
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6.35n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50198284
PNG
(1-((1H-indol-3-yl)methyl)-4-(3,4-dichlorophenyl)pi...)
Show SMILES OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H20Cl2N2O/c21-17-6-5-15(11-18(17)22)20(25)7-9-24(10-8-20)13-14-12-23-19-4-2-1-3-16(14)19/h1-6,11-12,23,25H,7-10,13H2
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6.90n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50253662
PNG
(CHEMBL460985 | endo-8-(Naphtho[2,1-b]fur-1-ylmethy...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccc3ccccc3c12)c1ccc(Cl)cc1 |TLB:0:1:4.5:8,9:8:4.5:2.1.7,THB:23:1:4.5:8|
Show InChI InChI=1S/C26H24ClNO2/c27-20-8-6-19(7-9-20)26(29)13-21-10-11-22(14-26)28(21)15-18-16-30-24-12-5-17-3-1-2-4-23(17)25(18)24/h1-9,12,16,21-22,29H,10-11,13-15H2
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8.40n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50050467
PNG
(1-((1H-indol-3-yl)methyl)-4-(4-chlorophenyl)piperi...)
Show SMILES OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2
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11.2n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50253662
PNG
(CHEMBL460985 | endo-8-(Naphtho[2,1-b]fur-1-ylmethy...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccc3ccccc3c12)c1ccc(Cl)cc1 |TLB:0:1:4.5:8,9:8:4.5:2.1.7,THB:23:1:4.5:8|
Show InChI InChI=1S/C26H24ClNO2/c27-20-8-6-19(7-9-20)26(29)13-21-10-11-22(14-26)28(21)15-18-16-30-24-12-5-17-3-1-2-4-23(17)25(18)24/h1-9,12,16,21-22,29H,10-11,13-15H2
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11.7n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50253616
PNG
(CHEMBL493276 | endo-8-(Benzothien-3-ylmethyl)-3-(4...)
Show SMILES OC1(CC2CCC(C1)N2Cc1csc2ccccc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H22ClNOS/c23-17-7-5-16(6-8-17)22(25)11-18-9-10-19(12-22)24(18)13-15-14-26-21-4-2-1-3-20(15)21/h1-8,14,18-19,25H,9-13H2
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12.9n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50253549
PNG
(3-(4-Chlorophenyl)-8-(1H-indol-3-ylmethyl)-8-azabi...)
Show SMILES OC1(CC2CCC(C1)N2Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H23ClN2O/c23-17-7-5-16(6-8-17)22(26)11-18-9-10-19(12-22)25(18)14-15-13-24-21-4-2-1-3-20(15)21/h1-8,13,18-19,24,26H,9-12,14H2
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15.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50253617
PNG
(CHEMBL493277 | endo-8-(Benzothien-3-ylmethyl)-3-(3...)
Show SMILES OC1(CC2CCC(C1)N2Cc1csc2ccccc12)c1ccc(Cl)c(Cl)c1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H21Cl2NOS/c23-19-8-5-15(9-20(19)24)22(26)10-16-6-7-17(11-22)25(16)12-14-13-27-21-4-2-1-3-18(14)21/h1-5,8-9,13,16-17,26H,6-7,10-12H2
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17.9n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50253585
PNG
(CHEMBL521648 | endo-8-(5-Methoxy-1H-indol-3-ylmeth...)
Show SMILES COc1ccc2[nH]cc(CN3C4CCC3CC(O)(C4)c3ccc(Cl)cc3)c2c1 |TLB:9:10:12.13:18.16.15,19:16:12.13:10,THB:17:16:12.13:10|
Show InChI InChI=1S/C23H25ClN2O2/c1-28-20-8-9-22-21(10-20)15(13-25-22)14-26-18-6-7-19(26)12-23(27,11-18)16-2-4-17(24)5-3-16/h2-5,8-10,13,18-19,25,27H,6-7,11-12,14H2,1H3
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21.2n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50253617
PNG
(CHEMBL493277 | endo-8-(Benzothien-3-ylmethyl)-3-(3...)
Show SMILES OC1(CC2CCC(C1)N2Cc1csc2ccccc12)c1ccc(Cl)c(Cl)c1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H21Cl2NOS/c23-19-8-5-15(9-20(19)24)22(26)10-16-6-7-17(11-22)25(16)12-14-13-27-21-4-2-1-3-18(14)21/h1-5,8-9,13,16-17,26H,6-7,10-12H2
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29.8n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50253552
PNG
(CHEMBL494115 | endo-8-(1H-Indol-3-ylmethyl)-3-(4-f...)
Show SMILES OC1(CC2CCC(C1)N2Cc1c[nH]c2ccccc12)c1ccc(F)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H23FN2O/c23-17-7-5-16(6-8-17)22(26)11-18-9-10-19(12-22)25(18)14-15-13-24-21-4-2-1-3-20(15)21/h1-8,13,18-19,24,26H,9-12,14H2
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31n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50253634
PNG
(CHEMBL459496 | endo-8-(Benzofur-3-ylmethyl)-3-(2,3...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccccc12)c1cccc(Cl)c1Cl |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H21Cl2NO2/c23-19-6-3-5-18(21(19)24)22(26)10-15-8-9-16(11-22)25(15)12-14-13-27-20-7-2-1-4-17(14)20/h1-7,13,15-16,26H,8-12H2
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32.2n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50253549
PNG
(3-(4-Chlorophenyl)-8-(1H-indol-3-ylmethyl)-8-azabi...)
Show SMILES OC1(CC2CCC(C1)N2Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H23ClN2O/c23-17-7-5-16(6-8-17)22(26)11-18-9-10-19(12-22)25(18)14-15-13-24-21-4-2-1-3-20(15)21/h1-8,13,18-19,24,26H,9-12,14H2
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33.4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50253550
PNG
(CHEMBL523719 | endo-8-(1H-Indol-3-ylmethyl)-3-(3,4...)
Show SMILES OC1(CC2CCC(C1)N2Cc1c[nH]c2ccccc12)c1ccc(Cl)c(Cl)c1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H22Cl2N2O/c23-19-8-5-15(9-20(19)24)22(27)10-16-6-7-17(11-22)26(16)13-14-12-25-21-4-2-1-3-18(14)21/h1-5,8-9,12,16-17,25,27H,6-7,10-11,13H2
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35.3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50253585
PNG
(CHEMBL521648 | endo-8-(5-Methoxy-1H-indol-3-ylmeth...)
Show SMILES COc1ccc2[nH]cc(CN3C4CCC3CC(O)(C4)c3ccc(Cl)cc3)c2c1 |TLB:9:10:12.13:18.16.15,19:16:12.13:10,THB:17:16:12.13:10|
Show InChI InChI=1S/C23H25ClN2O2/c1-28-20-8-9-22-21(10-20)15(13-25-22)14-26-18-6-7-19(26)12-23(27,11-18)16-2-4-17(24)5-3-16/h2-5,8-10,13,18-19,25,27H,6-7,11-12,14H2,1H3
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39.4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50253634
PNG
(CHEMBL459496 | endo-8-(Benzofur-3-ylmethyl)-3-(2,3...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccccc12)c1cccc(Cl)c1Cl |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H21Cl2NO2/c23-19-6-3-5-18(21(19)24)22(26)10-15-8-9-16(11-22)25(15)12-14-13-27-20-7-2-1-4-17(14)20/h1-7,13,15-16,26H,8-12H2
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40.1n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50253552
PNG
(CHEMBL494115 | endo-8-(1H-Indol-3-ylmethyl)-3-(4-f...)
Show SMILES OC1(CC2CCC(C1)N2Cc1c[nH]c2ccccc12)c1ccc(F)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H23FN2O/c23-17-7-5-16(6-8-17)22(26)11-18-9-10-19(12-22)25(18)14-15-13-24-21-4-2-1-3-20(15)21/h1-8,13,18-19,24,26H,9-12,14H2
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41.4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50253616
PNG
(CHEMBL493276 | endo-8-(Benzothien-3-ylmethyl)-3-(4...)
Show SMILES OC1(CC2CCC(C1)N2Cc1csc2ccccc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H22ClNOS/c23-17-7-5-16(6-8-17)22(25)11-18-9-10-19(12-22)24(18)13-15-14-26-21-4-2-1-3-20(15)21/h1-8,14,18-19,25H,9-13H2
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70.1n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor (unknown origin)


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50253584
PNG
(CHEMBL508723 | endo-8-(1H-Indazol-3-ylmethyl)-3-(4...)
Show SMILES OC1(CC2CCC(C1)N2Cc1n[nH]c2ccccc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C21H22ClN3O/c22-15-7-5-14(6-8-15)21(26)11-16-9-10-17(12-21)25(16)13-20-18-3-1-2-4-19(18)23-24-20/h1-8,16-17,26H,9-13H2,(H,23,24)
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84.7n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50198284
PNG
(1-((1H-indol-3-yl)methyl)-4-(3,4-dichlorophenyl)pi...)
Show SMILES OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H20Cl2N2O/c21-17-6-5-15(11-18(17)22)20(25)7-9-24(10-8-20)13-14-12-23-19-4-2-1-3-16(14)19/h1-6,11-12,23,25H,7-10,13H2
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111n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50253616
PNG
(CHEMBL493276 | endo-8-(Benzothien-3-ylmethyl)-3-(4...)
Show SMILES OC1(CC2CCC(C1)N2Cc1csc2ccccc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H22ClNOS/c23-17-7-5-16(6-8-17)22(25)11-18-9-10-19(12-22)24(18)13-15-14-26-21-4-2-1-3-20(15)21/h1-8,14,18-19,25H,9-13H2
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140n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D4 receptor (unknown origin)


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50050467
PNG
(1-((1H-indol-3-yl)methyl)-4-(4-chlorophenyl)piperi...)
Show SMILES OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2
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163n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50253619
PNG
(CHEMBL493278 | endo-8-(Benzofur-3-ylmethyl)-3-(4-c...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccccc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H22ClNO2/c23-17-7-5-16(6-8-17)22(25)11-18-9-10-19(12-22)24(18)13-15-14-26-21-4-2-1-3-20(15)21/h1-8,14,18-19,25H,9-13H2
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171n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor (unknown origin)


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50253619
PNG
(CHEMBL493278 | endo-8-(Benzofur-3-ylmethyl)-3-(4-c...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccccc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H22ClNO2/c23-17-7-5-16(6-8-17)22(25)11-18-9-10-19(12-22)24(18)13-15-14-26-21-4-2-1-3-20(15)21/h1-8,14,18-19,25H,9-13H2
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195n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D4 receptor (unknown origin)


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50253553
PNG
(CHEMBL494116 | endo-8-(1H-Indol-3-ylmethyl)-3-(2-n...)
Show SMILES OC1(CC2CCC(C1)N2Cc1c[nH]c2ccccc12)c1ccc2ccccc2c1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C26H26N2O/c29-26(21-10-9-18-5-1-2-6-19(18)13-21)14-22-11-12-23(15-26)28(22)17-20-16-27-25-8-4-3-7-24(20)25/h1-10,13,16,22-23,27,29H,11-12,14-15,17H2
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196n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50253553
PNG
(CHEMBL494116 | endo-8-(1H-Indol-3-ylmethyl)-3-(2-n...)
Show SMILES OC1(CC2CCC(C1)N2Cc1c[nH]c2ccccc12)c1ccc2ccccc2c1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C26H26N2O/c29-26(21-10-9-18-5-1-2-6-19(18)13-21)14-22-11-12-23(15-26)28(22)17-20-16-27-25-8-4-3-7-24(20)25/h1-10,13,16,22-23,27,29H,11-12,14-15,17H2
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224n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50253584
PNG
(CHEMBL508723 | endo-8-(1H-Indazol-3-ylmethyl)-3-(4...)
Show SMILES OC1(CC2CCC(C1)N2Cc1n[nH]c2ccccc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C21H22ClN3O/c22-15-7-5-14(6-8-15)21(26)11-16-9-10-17(12-21)25(16)13-20-18-3-1-2-4-19(18)23-24-20/h1-8,16-17,26H,9-13H2,(H,23,24)
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225n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50253618
PNG
(CHEMBL521825 | endo-8-(Benzothien-3-ylmethyl)-3-(2...)
Show SMILES OC1(CC2CCC(C1)N2Cc1csc2ccccc12)c1cccc(Cl)c1Cl |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H21Cl2NOS/c23-19-6-3-5-18(21(19)24)22(26)10-15-8-9-16(11-22)25(15)12-14-13-27-20-7-2-1-4-17(14)20/h1-7,13,15-16,26H,8-12H2
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280n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50253550
PNG
(CHEMBL523719 | endo-8-(1H-Indol-3-ylmethyl)-3-(3,4...)
Show SMILES OC1(CC2CCC(C1)N2Cc1c[nH]c2ccccc12)c1ccc(Cl)c(Cl)c1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H22Cl2N2O/c23-19-8-5-15(9-20(19)24)22(27)10-16-6-7-17(11-22)26(16)13-14-12-25-21-4-2-1-3-18(14)21/h1-5,8-9,12,16-17,25,27H,6-7,10-11,13H2
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364n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D4 receptor (unknown origin)


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50253618
PNG
(CHEMBL521825 | endo-8-(Benzothien-3-ylmethyl)-3-(2...)
Show SMILES OC1(CC2CCC(C1)N2Cc1csc2ccccc12)c1cccc(Cl)c1Cl |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H21Cl2NOS/c23-19-6-3-5-18(21(19)24)22(26)10-15-8-9-16(11-22)25(15)12-14-13-27-20-7-2-1-4-17(14)20/h1-7,13,15-16,26H,8-12H2
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431n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50253551
PNG
(CHEMBL495130 | endo-8-(1H-Indol-3-ylmethyl)-3-(2,3...)
Show SMILES OC1(CC2CCC(C1)N2Cc1c[nH]c2ccccc12)c1cccc(Cl)c1Cl |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H22Cl2N2O/c23-19-6-3-5-18(21(19)24)22(27)10-15-8-9-16(11-22)26(15)13-14-12-25-20-7-2-1-4-17(14)20/h1-7,12,15-16,25,27H,8-11,13H2
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480n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50253583
PNG
(CHEMBL492681 | endo-8-(1H-Indol-3-ylmethyl)-3-(4-(...)
Show SMILES CSc1ccc(cc1)C1(O)CC2CCC(C1)N2Cc1c[nH]c2ccccc12 |TLB:17:16:12.13:10.8.15,9:8:12.13:16,THB:5:8:12.13:16|
Show InChI InChI=1S/C23H26N2OS/c1-27-20-10-6-17(7-11-20)23(26)12-18-8-9-19(13-23)25(18)15-16-14-24-22-5-3-2-4-21(16)22/h2-7,10-11,14,18-19,24,26H,8-9,12-13,15H2,1H3
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541n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50253551
PNG
(CHEMBL495130 | endo-8-(1H-Indol-3-ylmethyl)-3-(2,3...)
Show SMILES OC1(CC2CCC(C1)N2Cc1c[nH]c2ccccc12)c1cccc(Cl)c1Cl |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H22Cl2N2O/c23-19-6-3-5-18(21(19)24)22(27)10-15-8-9-16(11-22)26(15)13-14-12-25-20-7-2-1-4-17(14)20/h1-7,12,15-16,25,27H,8-11,13H2
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545n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
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