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Compile Data Set for Download or QSAR

Found 316 hits with Last Name = 'slack' and Initial = 'rd'   
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))		BDBM50097834
PNG
(CHEMBL3589652)
Show SMILES OC(CCNC(=O)c1ccc2Cc3ccccc3-c2c1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/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(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))		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
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50540117
PNG
(CHEMBL4641869)
Show SMILES CC(=O)CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H26F2N2OS/c1-17(27)16-26-12-10-25(11-13-26)14-15-28-22(18-2-6-20(23)7-3-18)19-4-8-21(24)9-5-19/h2-9,22H,10-16H2,1H3
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 1.10n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from Sigma1 receptor in guinea pig cortex membranes incubated for 120 mins by microbeta scintillation counting m...

J Med Chem 63: 2343-2357 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01188
BindingDB Entry DOI: 10.7270/Q2QF8XD6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50540118
PNG
(CHEMBL4642082)
Show SMILES OC(CN1CCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccc(F)cc1
Show InChI InChI=1S/C28H31F3N2O2S/c29-24-7-1-21(2-8-24)19-27(34)20-33-15-13-32(14-16-33)17-18-36(35)28(22-3-9-25(30)10-4-22)23-5-11-26(31)12-6-23/h1-12,27-28,34H,13-20H2
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 1.30n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat striatum membranes incubated for 120 mins by microbeta scintillation counting method

J Med Chem 63: 2343-2357 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01188
BindingDB Entry DOI: 10.7270/Q2QF8XD6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50540121
PNG
(CHEMBL4649604)
Show SMILES O[C@H](CN1CCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
Show InChI InChI=1S/C28H32F2N2O2S/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)35(34)19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2/t27-,35?/m0/s1
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 1.30n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat striatum membranes incubated for 120 mins by microbeta scintillation counting method

J Med Chem 63: 2343-2357 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01188
BindingDB Entry DOI: 10.7270/Q2QF8XD6
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
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50540114
PNG
(CHEMBL4647914)
Show SMILES O[C@H](CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
Show InChI InChI=1S/C28H32F2N2OS/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2/t27-/m0/s1
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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]WIN35428 from DAT in Sprague-Dawley rat striatum membranes incubated for 120 mins by microbeta scintillation counting method

J Med Chem 63: 2343-2357 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01188
BindingDB Entry DOI: 10.7270/Q2QF8XD6
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
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50540111
PNG
(CHEMBL4635958)
Show SMILES OC(CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccc(F)cc1
Show InChI InChI=1S/C28H31F3N2OS/c29-24-7-1-21(2-8-24)19-27(34)20-33-15-13-32(14-16-33)17-18-35-28(22-3-9-25(30)10-4-22)23-5-11-26(31)12-6-23/h1-12,27-28,34H,13-20H2
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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 [3H]WIN35428 from DAT in Sprague-Dawley rat striatum membranes incubated for 120 mins by microbeta scintillation counting method

J Med Chem 63: 2343-2357 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01188
BindingDB Entry DOI: 10.7270/Q2QF8XD6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50540113
PNG
(CHEMBL4635589)
Show SMILES COc1ccc(CC(O)CN2CCN(CCSC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Show InChI InChI=1S/C29H34F2N2O2S/c1-35-28-12-2-22(3-13-28)20-27(34)21-33-16-14-32(15-17-33)18-19-36-29(23-4-8-25(30)9-5-23)24-6-10-26(31)11-7-24/h2-13,27,29,34H,14-21H2,1H3
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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]WIN35428 from DAT in Sprague-Dawley rat striatum membranes incubated for 120 mins by microbeta scintillation counting method

J Med Chem 63: 2343-2357 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01188
BindingDB Entry DOI: 10.7270/Q2QF8XD6
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
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50540134
PNG
(CHEMBL4640772)
Show SMILES C[C@H]1CN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CC(O)Cc1ccccc1 |r|
Show InChI InChI=1S/C30H36F2N2OS/c1-22-19-33(20-23(2)34(22)21-29(35)18-24-6-4-3-5-7-24)16-17-36-30(25-8-12-27(31)13-9-25)26-10-14-28(32)15-11-26/h3-15,22-23,29-30,35H,16-21H2,1-2H3/t22-,23+,29?
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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]WIN35428 from DAT in Sprague-Dawley rat striatum membranes incubated for 120 mins by microbeta scintillation counting method

J Med Chem 63: 2343-2357 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01188
BindingDB Entry DOI: 10.7270/Q2QF8XD6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50540133
PNG
(CHEMBL4640152)
Show SMILES C[C@@H](O)CN1[C@@H](C)CN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]1C |r|
Show InChI InChI=1S/C24H32F2N2OS/c1-17-14-27(15-18(2)28(17)16-19(3)29)12-13-30-24(20-4-8-22(25)9-5-20)21-6-10-23(26)11-7-21/h4-11,17-19,24,29H,12-16H2,1-3H3/t17-,18+,19-/m1/s1
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 2.20n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from Sigma1 receptor in guinea pig cortex membranes incubated for 120 mins by microbeta scintillation counting m...

J Med Chem 63: 2343-2357 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01188
BindingDB Entry DOI: 10.7270/Q2QF8XD6
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
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50199800
PNG
(CHEMBL3979590 | US10913711, Compound 9g | US115550...)
Show SMILES OC(CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H34N2OS/c31-27(22-24-10-4-1-5-11-24)23-30-18-16-29(17-19-30)20-21-32-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27-28,31H,16-23H2
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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
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50199786
PNG
(CHEMBL3918282)
Show SMILES OC(CN1CCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H32F2N2O2S/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)35(34)19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2
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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
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50540123
PNG
(CHEMBL4638977)
Show SMILES C[C@H](O)CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 |r|
Show InChI InChI=1S/C22H28F2N2OS/c1-17(27)16-26-12-10-25(11-13-26)14-15-28-22(18-2-6-20(23)7-3-18)19-4-8-21(24)9-5-19/h2-9,17,22,27H,10-16H2,1H3/t17-/m0/s1
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 2.60n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from Sigma1 receptor in guinea pig cortex membranes incubated for 120 mins by microbeta scintillation counting m...

J Med Chem 63: 2343-2357 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01188
BindingDB Entry DOI: 10.7270/Q2QF8XD6
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=1S/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
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50199798
PNG
(CHEMBL3941865)
Show SMILES [O-][S+](CCN1CCN(CCCc2ccccc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2OS/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)34(33)22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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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))		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
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50540124
PNG
(CHEMBL4647283)
Show SMILES C[C@@H](O)CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 |r|
Show InChI InChI=1S/C22H28F2N2OS/c1-17(27)16-26-12-10-25(11-13-26)14-15-28-22(18-2-6-20(23)7-3-18)19-4-8-21(24)9-5-19/h2-9,17,22,27H,10-16H2,1H3/t17-/m1/s1
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 3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from Sigma1 receptor in guinea pig cortex membranes incubated for 120 mins by microbeta scintillation counting m...

J Med Chem 63: 2343-2357 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01188
BindingDB Entry DOI: 10.7270/Q2QF8XD6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50540120
PNG
(CHEMBL4648300)
Show SMILES COc1ccc(CC(O)CN2CCN(CC[S+]([O-])C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Show InChI InChI=1S/C29H34F2N2O3S/c1-36-28-12-2-22(3-13-28)20-27(34)21-33-16-14-32(15-17-33)18-19-37(35)29(23-4-8-25(30)9-5-23)24-6-10-26(31)11-7-24/h2-13,27,29,34H,14-21H2,1H3
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 3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat striatum membranes incubated for 120 mins by microbeta scintillation counting method

J Med Chem 63: 2343-2357 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01188
BindingDB Entry DOI: 10.7270/Q2QF8XD6
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
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50199791
PNG
(CHEMBL3894678)
Show SMILES [O-][S+](CCN1CCN(CCCc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H34N2OS/c31-32(28(26-14-6-2-7-15-26)27-16-8-3-9-17-27)24-23-30-21-19-29(20-22-30)18-10-13-25-11-4-1-5-12-25/h1-9,11-12,14-17,28H,10,13,18-24H2
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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
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50199809
PNG
(CHEMBL3890247)
Show SMILES OC(CN1CCN(CC[S+]([O-])C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H34N2O2S/c31-27(22-24-10-4-1-5-11-24)23-30-18-16-29(17-19-30)20-21-33(32)28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27-28,31H,16-23H2
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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
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50199854
PNG
(CHEMBL3952924 | US10913711, Compound 7a | US115550...)
Show SMILES C(CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H34N2S/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2
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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
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50540122
PNG
(CHEMBL4633748)
Show SMILES O[C@@H](CN1CCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
Show InChI InChI=1S/C28H32F2N2O2S/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)35(34)19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2/t27-,35?/m1/s1
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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]WIN35428 from DAT in Sprague-Dawley rat striatum membranes incubated for 120 mins by microbeta scintillation counting method

J Med Chem 63: 2343-2357 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01188
BindingDB Entry DOI: 10.7270/Q2QF8XD6
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
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50540136
PNG
(CHEMBL4639814)
Show SMILES C[C@H]1CN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CC(O)Cc1ccccc1 |r|
Show InChI InChI=1S/C30H36F2N2O2S/c1-22-19-33(20-23(2)34(22)21-29(35)18-24-6-4-3-5-7-24)16-17-37(36)30(25-8-12-27(31)13-9-25)26-10-14-28(32)15-11-26/h3-15,22-23,29-30,35H,16-21H2,1-2H3/t22-,23+,29?,37?
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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]WIN35428 from DAT (unknown origin) transiently expressed in COS7 cells incubated for > 90 mins by beta scintillation counting met...

J Med Chem 63: 2343-2357 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01188
BindingDB Entry DOI: 10.7270/Q2QF8XD6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50540115
PNG
(CHEMBL4643955)
Show SMILES O[C@@H](CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
Show InChI InChI=1S/C28H32F2N2OS/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2/t27-/m1/s1
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 3.90n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat striatum membranes incubated for 120 mins by microbeta scintillation counting method

J Med Chem 63: 2343-2357 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01188
BindingDB Entry DOI: 10.7270/Q2QF8XD6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50199790
PNG
(CHEMBL3916231 | US10913711, Compound 9d | US115550...)
Show SMILES CC(O)CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H28F2N2OS/c1-17(27)16-26-12-10-25(11-13-26)14-15-28-22(18-2-6-20(23)7-3-18)19-4-8-21(24)9-5-19/h2-9,17,22,27H,10-16H2,1H3
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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
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50199713
PNG
(CHEMBL3965237 | US10913711, Compound 7b | US115550...)
Show SMILES Fc1ccc(cc1)C(SCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2S/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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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
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50199855
PNG
(CHEMBL3907263)
Show SMILES Fc1ccc(CN2CCN(CCSC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Show InChI InChI=1S/C26H27F3N2S/c27-23-7-1-20(2-8-23)19-31-15-13-30(14-16-31)17-18-32-26(21-3-9-24(28)10-4-21)22-5-11-25(29)12-6-22/h1-12,26H,13-19H2
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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
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50097840
PNG
(CHEMBL3588918)
Show SMILES Clc1cccc(N2CCN(CCCCc3cn(nn3)-c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
Show InChI InChI=1S/C29H29Cl2N5/c30-27-9-5-10-28(29(27)31)35-16-14-34(15-17-35)13-4-3-7-23-20-36(33-32-23)24-11-12-26-22(19-24)18-21-6-1-2-8-25(21)26/h1-2,5-6,8-12,19-20H,3-4,7,13-18H2
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 5.10n/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
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50042723
PNG
(CHEMBL3353895)
Show SMILES COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccccc2)CC1
Show InChI InChI=1S/C23H29N5O/c1-29-23-13-6-5-12-22(23)27-17-15-26(16-18-27)14-8-7-9-20-19-28(25-24-20)21-10-3-2-4-11-21/h2-6,10-13,19H,7-9,14-18H2,1H3
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 5.40n/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))		BDBM50097844
PNG
(CHEMBL3588981)
Show SMILES COc1ccccc1N1CCN(CCCCn2cc(nn2)-c2ccc3[nH]ccc3c2)CC1
Show InChI InChI=1S/C25H30N6O/c1-32-25-7-3-2-6-24(25)30-16-14-29(15-17-30)12-4-5-13-31-19-23(27-28-31)20-8-9-22-21(18-20)10-11-26-22/h2-3,6-11,18-19,26H,4-5,12-17H2,1H3
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 5.5n/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
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50540131
PNG
(CHEMBL4636778)
Show SMILES CC(O)CN1[C@@H](C)CN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]1C |r|
Show InChI InChI=1S/C24H32F2N2OS/c1-17-14-27(15-18(2)28(17)16-19(3)29)12-13-30-24(20-4-8-22(25)9-5-20)21-6-10-23(26)11-7-21/h4-11,17-19,24,29H,12-16H2,1-3H3/t17-,18+,19?
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 5.60n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from Sigma1 receptor in guinea pig cortex membranes incubated for 120 mins by microbeta scintillation counting m...

J Med Chem 63: 2343-2357 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01188
BindingDB Entry DOI: 10.7270/Q2QF8XD6
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50097843
PNG
(CHEMBL3588921)
Show SMILES COc1ccccc1N1CCN(CCCCn2cc(nn2)-c2ccc-3c(Cc4ccccc-34)c2)CC1
Show InChI InChI=1S/C30H33N5O/c1-36-30-11-5-4-10-29(30)34-18-16-33(17-19-34)14-6-7-15-35-22-28(31-32-35)24-12-13-27-25(21-24)20-23-8-2-3-9-26(23)27/h2-5,8-13,21-22H,6-7,14-20H2,1H3
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 5.60n/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
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50097851
PNG
(CHEMBL3588998)
Show SMILES OC(CCn1cc(nn1)-c1ccc2[nH]ccc2c1)CN1CCN(CC1)c1cccc(Cl)c1Cl
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 5.90n/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))		BDBM50097846
PNG
(CHEMBL3588983)
Show SMILES COc1ccccc1N1CCN(CCCCn2cc(nn2)-c2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C29H33N5O/c1-35-29-12-6-5-11-28(29)33-21-19-32(20-22-33)17-7-8-18-34-23-27(30-31-34)26-15-13-25(14-16-26)24-9-3-2-4-10-24/h2-6,9-16,23H,7-8,17-22H2,1H3
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 5.90n/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
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50540132
PNG
(CHEMBL4647200)
Show SMILES C[C@H](O)CN1[C@@H](C)CN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]1C |r|
Show InChI InChI=1S/C24H32F2N2OS/c1-17-14-27(15-18(2)28(17)16-19(3)29)12-13-30-24(20-4-8-22(25)9-5-20)21-6-10-23(26)11-7-21/h4-11,17-19,24,29H,12-16H2,1-3H3/t17-,18+,19-/m0/s1
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 6n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from Sigma1 receptor in guinea pig cortex membranes incubated for 120 mins by microbeta scintillation counting m...

J Med Chem 63: 2343-2357 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01188
BindingDB Entry DOI: 10.7270/Q2QF8XD6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50199786
PNG
(CHEMBL3918282)
Show SMILES OC(CN1CCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H32F2N2O2S/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)35(34)19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2
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 6.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35,428 from wild type human DAT expressed in COS7 cell membranes incubated for >90 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
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50199795
PNG
(CHEMBL3909363 | US10913711, Compound 9j | US115550...)
Show SMILES OC(CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H32F2N2OS/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2
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 6.70n/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))		BDBM50097845
PNG
(CHEMBL3588982)
Show SMILES COc1ccccc1N1CCN(CCCCn2cc(nn2)-c2ccc3ncccc3c2)CC1
Show InChI InChI=1S/C26H30N6O/c1-33-26-9-3-2-8-25(26)31-17-15-30(16-18-31)13-4-5-14-32-20-24(28-29-32)22-10-11-23-21(19-22)7-6-12-27-23/h2-3,6-12,19-20H,4-5,13-18H2,1H3
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 6.70n/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
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50540136
PNG
(CHEMBL4639814)
Show SMILES C[C@H]1CN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CC(O)Cc1ccccc1 |r|
Show InChI InChI=1S/C30H36F2N2O2S/c1-22-19-33(20-23(2)34(22)21-29(35)18-24-6-4-3-5-7-24)16-17-37(36)30(25-8-12-27(31)13-9-25)26-10-14-28(32)15-11-26/h3-15,22-23,29-30,35H,16-21H2,1-2H3/t22-,23+,29?,37?
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 6.80n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat striatum membranes incubated for 120 mins by microbeta scintillation counting method

J Med Chem 63: 2343-2357 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01188
BindingDB Entry DOI: 10.7270/Q2QF8XD6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50199853
PNG
(CHEMBL3935199)
Show SMILES Fc1ccc(cc1)C(SCCN1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H28F2N2S/c27-24-10-6-22(7-11-24)26(23-8-12-25(28)13-9-23)31-19-18-29-14-16-30(17-15-29)20-21-4-2-1-3-5-21/h1-13,26H,14-20H2
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 7.40n/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
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50199799
PNG
(CHEMBL3971463)
Show SMILES [O-][S+](CCN1CCN(Cc2ccc(Cl)cc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C26H27ClF2N2OS/c27-23-7-1-20(2-8-23)19-31-15-13-30(14-16-31)17-18-33(32)26(21-3-9-24(28)10-4-21)22-5-11-25(29)12-6-22/h1-12,26H,13-19H2
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 7.60n/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
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