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Compile Data Set for Download or QSAR

Found 436 hits with Last Name = 'burzynski' and Initial = 'c'   
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))
BDBM50007518
PNG
((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC
Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1
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0.110n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3R expressed in HEK293 cell membranes incubated for 1 hr by radioligand binding assay


J Med Chem 59: 10676-10691 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01373
BindingDB Entry DOI: 10.7270/Q2WQ05RV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50104923
PNG
(CHEMBL3597643)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C27H30N4O/c32-27(25-20-22-9-2-4-12-24(22)29-25)28-14-5-6-15-30-16-18-31(19-17-30)26-13-7-10-21-8-1-3-11-23(21)26/h1-4,7-13,20,29H,5-6,14-19H2,(H,28,32)
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0.118n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50105009
PNG
(CHEMBL3597645)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1cc2ccccc2s1
Show InChI InChI=1S/C27H29N3OS/c31-27(26-20-22-9-2-4-13-25(22)32-26)28-14-5-6-15-29-16-18-30(19-17-29)24-12-7-10-21-8-1-3-11-23(21)24/h1-4,7-13,20H,5-6,14-19H2,(H,28,31)
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0.128n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50104998
PNG
(CHEMBL3597644)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)NCCCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C28H32N4O2/c1-34-23-11-12-25-22(19-23)20-26(30-25)28(33)29-13-4-5-14-31-15-17-32(18-16-31)27-10-6-8-21-7-2-3-9-24(21)27/h2-3,6-12,19-20,30H,4-5,13-18H2,1H3,(H,29,33)
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0.173n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50097834
PNG
(CHEMBL3589652)
Show SMILES OC(CCNC(=O)c1ccc2Cc3ccccc3-c2c1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1/C28H29Cl2N3O2/c29-25-6-3-7-26(27(25)30)33-14-12-32(13-15-33)18-22(34)10-11-31-28(35)21-9-8-20-16-19-4-1-2-5-23(19)24(20)17-21/h1-9,17,22,34H,10-16,18H2,(H,31,35)
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0.233n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting...


Bioorg Med Chem 23: 4000-12 (2015)


Article DOI: 10.1016/j.bmc.2015.01.017
BindingDB Entry DOI: 10.7270/Q2BV7JCJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50105004
PNG
(CHEMBL3596212)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1cc2ccccc2o1
Show InChI InChI=1S/C27H29N3O2/c31-27(26-20-22-9-2-4-13-25(22)32-26)28-14-5-6-15-29-16-18-30(19-17-29)24-12-7-10-21-8-1-3-11-23(21)24/h1-4,7-13,20H,5-6,14-19H2,(H,28,31)
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0.244n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50007518
PNG
((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC
Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1
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0.260n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2R expressed in HEK293 cell membranes incubated for 1 hr by radioligand binding assay


J Med Chem 59: 10676-10691 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01373
BindingDB Entry DOI: 10.7270/Q2WQ05RV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50129425
PNG
(5-Fluoro-1H-indole-2-carboxylic acid {4-[4-(2,3-di...)
Show SMILES Fc1ccc2[nH]c(cc2c1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H25Cl2FN4O/c24-18-4-3-5-21(22(18)25)30-12-10-29(11-13-30)9-2-1-8-27-23(31)20-15-16-14-17(26)6-7-19(16)28-20/h3-7,14-15,28H,1-2,8-13H2,(H,27,31)
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0.280n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50104925
PNG
(CHEMBL3597635)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1cnc2ccccc2c1
Show InChI InChI=1S/C28H30N4O/c33-28(24-20-23-9-2-4-12-26(23)30-21-24)29-14-5-6-15-31-16-18-32(19-17-31)27-13-7-10-22-8-1-3-11-25(22)27/h1-4,7-13,20-21H,5-6,14-19H2,(H,29,33)
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0.330n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor (unknown origin)


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50104925
PNG
(CHEMBL3597635)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1cnc2ccccc2c1
Show InChI InChI=1S/C28H30N4O/c33-28(24-20-23-9-2-4-12-26(23)30-21-24)29-14-5-6-15-31-16-18-32(19-17-31)27-13-7-10-22-8-1-3-11-25(22)27/h1-4,7-13,20-21H,5-6,14-19H2,(H,29,33)
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0.351n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50104927
PNG
(CHEMBL3597641)
Show SMILES COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C24H29ClN4O2/c1-31-23-19(25)8-6-10-22(23)29-15-13-28(14-16-29)12-5-4-11-26-24(30)21-17-18-7-2-3-9-20(18)27-21/h2-3,6-10,17,27H,4-5,11-16H2,1H3,(H,26,30)
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0.392n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50342720
PNG
((R)-N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)-3-...)
Show SMILES O[C@H](CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C23H26Cl2N4O2/c24-18-5-3-7-21(22(18)25)29-12-10-28(11-13-29)15-17(30)8-9-26-23(31)20-14-16-4-1-2-6-19(16)27-20/h1-7,14,17,27,30H,8-13,15H2,(H,26,31)/t17-/m1/s1
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0.530n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor (unknown origin)


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50105140
PNG
(CHEMBL3597639)
Show SMILES Fc1ccc2ncc(cc2c1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H25Cl2FN4O/c25-20-4-3-5-22(23(20)26)31-12-10-30(11-13-31)9-2-1-8-28-24(32)18-14-17-15-19(27)6-7-21(17)29-16-18/h3-7,14-16H,1-2,8-13H2,(H,28,32)
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0.570n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50104928
PNG
(CHEMBL3597642)
Show SMILES COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H28ClN3O3/c1-30-23-19(25)8-6-9-20(23)28-15-13-27(14-16-28)12-5-4-11-26-24(29)22-17-18-7-2-3-10-21(18)31-22/h2-3,6-10,17H,4-5,11-16H2,1H3,(H,26,29)
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0.907n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50097841
PNG
(CHEMBL3588919)
Show SMILES Clc1cccc(N2CCN(CCCCc3cn(nn3)-c3ccc4[nH]ccc4c3)CC2)c1Cl
Show InChI InChI=1S/C24H26Cl2N6/c25-21-5-3-6-23(24(21)26)31-14-12-30(13-15-31)11-2-1-4-19-17-32(29-28-19)20-7-8-22-18(16-20)9-10-27-22/h3,5-10,16-17,27H,1-2,4,11-15H2
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1n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting...


Bioorg Med Chem 23: 4000-12 (2015)


Article DOI: 10.1016/j.bmc.2015.01.017
BindingDB Entry DOI: 10.7270/Q2BV7JCJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50097780
PNG
(CHEMBL3588987)
Show SMILES Clc1cccc(N2CCN(CCCCn3cc(nn3)-c3ccc4ncccc4c3)CC2)c1Cl
Show InChI InChI=1S/C31H36N6O/c1-31(2,30(38)33-18-16-23-19-34-26-12-7-6-11-25(23)26)28-21-37-20-24(15-14-22-9-4-3-5-10-22)35-27(13-8-17-32)29(37)36-28/h3-7,9-12,19-21,34H,8,13-18,32H2,1-2H3,(H,33,38)
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1.40n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting...


Bioorg Med Chem 23: 4000-12 (2015)


Article DOI: 10.1016/j.bmc.2015.01.017
BindingDB Entry DOI: 10.7270/Q2BV7JCJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50020222
PNG
((+/-)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthal...)
Show SMILES CCCN(CCC)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D3 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter


J Med Chem 59: 2973-88 (2016)


BindingDB Entry DOI: 10.7270/Q2708393
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50097849
PNG
(CHEMBL3588986)
Show SMILES Clc1cccc(N2CCN(CCCCn3cc(nn3)-c3ccc4[nH]ccc4c3)CC2)c1Cl
Show InChI InChI=1S/C24H26Cl2N6/c25-20-4-3-5-23(24(20)26)31-14-12-30(13-15-31)10-1-2-11-32-17-22(28-29-32)18-6-7-21-19(16-18)8-9-27-21/h3-9,16-17,27H,1-2,10-15H2
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1.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting...


Bioorg Med Chem 23: 4000-12 (2015)


Article DOI: 10.1016/j.bmc.2015.01.017
BindingDB Entry DOI: 10.7270/Q2BV7JCJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50097836
PNG
(CHEMBL3588914)
Show SMILES COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccc-3c(Cc4ccccc-34)c2)CC1
Show InChI InChI=1S/C30H33N5O/c1-36-30-12-5-4-11-29(30)34-18-16-33(17-19-34)15-7-6-9-25-22-35(32-31-25)26-13-14-28-24(21-26)20-23-8-2-3-10-27(23)28/h2-5,8,10-14,21-22H,6-7,9,15-20H2,1H3
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1.60n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting...


Bioorg Med Chem 23: 4000-12 (2015)


Article DOI: 10.1016/j.bmc.2015.01.017
BindingDB Entry DOI: 10.7270/Q2BV7JCJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50104922
PNG
(CHEMBL3597637)
Show SMILES COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cnc3ccccc3c2)CC1
Show InChI InChI=1S/C25H29ClN4O2/c1-32-24-21(26)8-6-10-23(24)30-15-13-29(14-16-30)12-5-4-11-27-25(31)20-17-19-7-2-3-9-22(19)28-18-20/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,27,31)
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1.70n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor (unknown origin)


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50020222
PNG
((+/-)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthal...)
Show SMILES CCCN(CCC)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3
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1.80n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter


J Med Chem 59: 2973-88 (2016)


BindingDB Entry DOI: 10.7270/Q2708393
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50378012
PNG
(CHEMBL1627310)
Show SMILES OC(CCNC(=O)c1cc2cc(F)ccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H25Cl2FN4O2/c24-18-2-1-3-21(22(18)25)30-10-8-29(9-11-30)14-17(31)6-7-27-23(32)20-13-15-12-16(26)4-5-19(15)28-20/h1-5,12-13,17,28,31H,6-11,14H2,(H,27,32)
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1.80n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM123850
PNG
(US8748608, 34 | US8748608, 34 Enantiomer A | US874...)
Show SMILES OC(CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H26Cl2N4O2/c24-18-5-3-7-21(22(18)25)29-12-10-28(11-13-29)15-17(30)8-9-26-23(31)20-14-16-4-1-2-6-19(16)27-20/h1-7,14,17,27,30H,8-13,15H2,(H,26,31)
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1.90n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM123850
PNG
(US8748608, 34 | US8748608, 34 Enantiomer A | US874...)
Show SMILES OC(CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H26Cl2N4O2/c24-18-5-3-7-21(22(18)25)29-12-10-28(11-13-29)15-17(30)8-9-26-23(31)20-14-16-4-1-2-6-19(16)27-20/h1-7,14,17,27,30H,8-13,15H2,(H,26,31)
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1.90n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting...


Bioorg Med Chem 23: 4000-12 (2015)


Article DOI: 10.1016/j.bmc.2015.01.017
BindingDB Entry DOI: 10.7270/Q2BV7JCJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50104922
PNG
(CHEMBL3597637)
Show SMILES COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cnc3ccccc3c2)CC1
Show InChI InChI=1S/C25H29ClN4O2/c1-32-24-21(26)8-6-10-23(24)30-15-13-29(14-16-30)12-5-4-11-27-25(31)20-17-19-7-2-3-9-22(19)28-18-20/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,27,31)
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2n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50105039
PNG
(CHEMBL3597650)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cnc3ccc(F)cc3c2)CC1
Show InChI InChI=1S/C25H29FN4O2/c1-32-24-7-3-2-6-23(24)30-14-12-29(13-15-30)11-5-4-10-27-25(31)20-16-19-17-21(26)8-9-22(19)28-18-20/h2-3,6-9,16-18H,4-5,10-15H2,1H3,(H,27,31)
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2.10n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020222
PNG
((+/-)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthal...)
Show SMILES CCCN(CCC)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3
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2.30n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D2 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter


J Med Chem 59: 2973-88 (2016)


BindingDB Entry DOI: 10.7270/Q2708393
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50061885
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-butyl-8-aza-bi...)
Show SMILES CCCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:12:10:4:6.7|
Show InChI InChI=1S/C24H29F2NO/c1-2-3-14-27-21-12-13-22(27)16-23(15-21)28-24(17-4-8-19(25)9-5-17)18-6-10-20(26)11-7-18/h4-11,21-24H,2-3,12-16H2,1H3
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2.40n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in whole-guinea pig brain minus cerebellum homogenates incubated for 120 mins by radioligand...


J Med Chem 59: 10676-10691 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01373
BindingDB Entry DOI: 10.7270/Q2WQ05RV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50104926
PNG
(CHEMBL3597636)
Show SMILES OC(CCNC(=O)c1cnc2ccccc2c1)CN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1/C28H30N4O2/c33-24(12-13-29-28(34)23-18-22-7-2-4-10-26(22)30-19-23)20-31-14-16-32(17-15-31)27-11-5-8-21-6-1-3-9-25(21)27/h1-11,18-19,24,33H,12-17,20H2,(H,29,34)
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2.40n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor (unknown origin)


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50199800
PNG
(CHEMBL3979590 | US9862679, Compound 9g)
Show SMILES OC(CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
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2.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35,428 from DAT in Sprague-Dawley rat brain membranes incubated for 120 mins by radioligand binding assay


J Med Chem 59: 10676-10691 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01373
BindingDB Entry DOI: 10.7270/Q2WQ05RV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50105024
PNG
(CHEMBL3597647)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3cc(F)ccc3n2)CC1
Show InChI InChI=1S/C25H29FN4O2/c1-32-24-7-3-2-6-23(24)30-16-14-29(15-17-30)13-5-4-12-27-25(31)22-10-8-19-18-20(26)9-11-21(19)28-22/h2-3,6-11,18H,4-5,12-17H2,1H3,(H,27,31)
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2.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50104925
PNG
(CHEMBL3597635)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1cnc2ccccc2c1
Show InChI InChI=1S/C28H30N4O/c33-28(24-20-23-9-2-4-12-26(23)30-21-24)29-14-5-6-15-31-16-18-32(19-17-31)27-13-7-10-22-8-1-3-11-25(22)27/h1-4,7-13,20-21H,5-6,14-19H2,(H,29,33)
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2.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A receptor (unknown origin)


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50199786
PNG
(CHEMBL3918282)
Show SMILES OC(CN1CCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
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2.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35,428 from DAT in Sprague-Dawley rat brain membranes incubated for 120 mins by radioligand binding assay


J Med Chem 59: 10676-10691 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01373
BindingDB Entry DOI: 10.7270/Q2WQ05RV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50164855
PNG
(CHEMBL3797209)
Show SMILES CCCN(CCC)[C@@H]1Cc2cccc3n(CCC)c(=O)n(C1)c23 |r|
Show InChI InChI=1/C19H29N3O/c1-4-10-20(11-5-2)16-13-15-8-7-9-17-18(15)22(14-16)19(23)21(17)12-6-3/h7-9,16H,4-6,10-14H2,1-3H3/t16-/s2
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2.60n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D2 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter


J Med Chem 59: 2973-88 (2016)


BindingDB Entry DOI: 10.7270/Q2708393
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50056446
PNG
((R)-5-Propylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CCCN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C13H17N3O/c1-2-6-14-10-7-9-4-3-5-11-12(9)16(8-10)13(17)15-11/h3-5,10,14H,2,6-8H2,1H3,(H,15,17)/t10-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D2 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter


J Med Chem 59: 2973-88 (2016)


BindingDB Entry DOI: 10.7270/Q2708393
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50097853
PNG
(CHEMBL3589651)
Show SMILES OC(CCNC(=O)c1cnc2ccccc2c1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1/C24H26Cl2N4O2/c25-20-5-3-7-22(23(20)26)30-12-10-29(11-13-30)16-19(31)8-9-27-24(32)18-14-17-4-1-2-6-21(17)28-15-18/h1-7,14-15,19,31H,8-13,16H2,(H,27,32)
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2.90n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting...


Bioorg Med Chem 23: 4000-12 (2015)


Article DOI: 10.1016/j.bmc.2015.01.017
BindingDB Entry DOI: 10.7270/Q2BV7JCJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50097835
PNG
(CHEMBL3588913)
Show SMILES COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C27H31N5O/c1-33-27-12-5-4-11-26(27)31-18-16-30(17-19-31)15-7-6-10-24-21-32(29-28-24)25-14-13-22-8-2-3-9-23(22)20-25/h2-5,8-9,11-14,20-21H,6-7,10,15-19H2,1H3
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2.90n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting...


Bioorg Med Chem 23: 4000-12 (2015)


Article DOI: 10.1016/j.bmc.2015.01.017
BindingDB Entry DOI: 10.7270/Q2BV7JCJ
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50199798
PNG
(CHEMBL3941865)
Show SMILES [O-][S+](CCN1CCN(CCCc2ccccc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
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2.90n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35,428 from DAT in Sprague-Dawley rat brain membranes incubated for 120 mins by radioligand binding assay


J Med Chem 59: 10676-10691 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01373
BindingDB Entry DOI: 10.7270/Q2WQ05RV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50097837
PNG
(CHEMBL3588915)
Show SMILES COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccc3[nH]ccc3c2)CC1
Show InChI InChI=1S/C25H30N6O/c1-32-25-8-3-2-7-24(25)30-16-14-29(15-17-30)13-5-4-6-21-19-31(28-27-21)22-9-10-23-20(18-22)11-12-26-23/h2-3,7-12,18-19,26H,4-6,13-17H2,1H3
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3.10n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting...


Bioorg Med Chem 23: 4000-12 (2015)


Article DOI: 10.1016/j.bmc.2015.01.017
BindingDB Entry DOI: 10.7270/Q2BV7JCJ
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50199791
PNG
(CHEMBL3894678)
Show SMILES [O-][S+](CCN1CCN(CCCc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
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3.20n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35,428 from DAT in Sprague-Dawley rat brain membranes incubated for 120 mins by radioligand binding assay


J Med Chem 59: 10676-10691 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01373
BindingDB Entry DOI: 10.7270/Q2WQ05RV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50164855
PNG
(CHEMBL3797209)
Show SMILES CCCN(CCC)[C@@H]1Cc2cccc3n(CCC)c(=O)n(C1)c23 |r|
Show InChI InChI=1/C19H29N3O/c1-4-10-20(11-5-2)16-13-15-8-7-9-17-18(15)22(14-16)19(23)21(17)12-6-3/h7-9,16H,4-6,10-14H2,1-3H3/t16-/s2
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3.40n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D3 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter


J Med Chem 59: 2973-88 (2016)


BindingDB Entry DOI: 10.7270/Q2708393
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50199809
PNG
(CHEMBL3890247)
Show SMILES OC(CN1CCN(CC[S+]([O-])C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
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3.40n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35,428 from DAT in Sprague-Dawley rat brain membranes incubated for 120 mins by radioligand binding assay


J Med Chem 59: 10676-10691 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01373
BindingDB Entry DOI: 10.7270/Q2WQ05RV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50131934
PNG
(CHEMBL126439 | CHEMBL127317 | Quinoline-2-carboxyl...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3n2)CC1
Show InChI InChI=1S/C25H30N4O2/c1-31-24-11-5-4-10-23(24)29-18-16-28(17-19-29)15-7-6-14-26-25(30)22-13-12-20-8-2-3-9-21(20)27-22/h2-5,8-13H,6-7,14-19H2,1H3,(H,26,30)
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3.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50199854
PNG
(CHEMBL3952924 | US9862679, Compound 7a)
Show SMILES C(CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
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3.60n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35,428 from DAT in Sprague-Dawley rat brain membranes incubated for 120 mins by radioligand binding assay


J Med Chem 59: 10676-10691 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01373
BindingDB Entry DOI: 10.7270/Q2WQ05RV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50104926
PNG
(CHEMBL3597636)
Show SMILES OC(CCNC(=O)c1cnc2ccccc2c1)CN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1/C28H30N4O2/c33-24(12-13-29-28(34)23-18-22-7-2-4-10-26(22)30-19-23)20-31-14-16-32(17-15-31)27-11-5-8-21-6-1-3-9-25(21)27/h1-11,18-19,24,33H,12-17,20H2,(H,29,34)
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3.60n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50097839
PNG
(CHEMBL3588917)
Show SMILES Clc1cccc(N2CCN(CCCCc3cn(nn3)-c3ccc4ccccc4c3)CC2)c1Cl
Show InChI InChI=1S/C26H27Cl2N5/c27-24-9-5-10-25(26(24)28)32-16-14-31(15-17-32)13-4-3-8-22-19-33(30-29-22)23-12-11-20-6-1-2-7-21(20)18-23/h1-2,5-7,9-12,18-19H,3-4,8,13-17H2
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3.80n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting...


Bioorg Med Chem 23: 4000-12 (2015)


Article DOI: 10.1016/j.bmc.2015.01.017
BindingDB Entry DOI: 10.7270/Q2BV7JCJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50104925
PNG
(CHEMBL3597635)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1cnc2ccccc2c1
Show InChI InChI=1S/C28H30N4O/c33-28(24-20-23-9-2-4-12-26(23)30-21-24)29-14-5-6-15-31-16-18-32(19-17-31)27-13-7-10-22-8-1-3-11-25(22)27/h1-4,7-13,20-21H,5-6,14-19H2,(H,29,33)
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3.80n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2C receptor (unknown origin)


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50199790
PNG
(CHEMBL3916231 | US9862679, Compound 9d)
Show SMILES CC(O)CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
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4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in whole-guinea pig brain minus cerebellum homogenates incubated for 120 mins by radioligand...


J Med Chem 59: 10676-10691 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01373
BindingDB Entry DOI: 10.7270/Q2WQ05RV
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50199713
PNG
(CHEMBL3965237 | US9862679, Compound 7b)
Show SMILES Fc1ccc(cc1)C(SCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
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4.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35,428 from DAT in Sprague-Dawley rat brain membranes incubated for 120 mins by radioligand binding assay


J Med Chem 59: 10676-10691 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01373
BindingDB Entry DOI: 10.7270/Q2WQ05RV
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50199855
PNG
(CHEMBL3907263)
Show SMILES Fc1ccc(CN2CCN(CCSC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
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5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35,428 from DAT in Sprague-Dawley rat brain membranes incubated for 120 mins by radioligand binding assay


J Med Chem 59: 10676-10691 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01373
BindingDB Entry DOI: 10.7270/Q2WQ05RV
More data for this
Ligand-Target Pair
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