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Compile Data Set for Download or QSAR

Found 7 hits of kd data for polymerid = 2252,50001848   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50041308
PNG
(3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES CCOC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C
Show InChI InChI=1S/C17H22INO2/c1-3-21-17(20)16-14(11-4-6-12(18)7-5-11)10-13-8-9-15(16)19(13)2/h4-7,13-16H,3,8-10H2,1-2H3
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n/an/an/a 1n/an/an/an/an/a



Wake Forest University

Curated by ChEMBL


Assay Description
The potency of the [125I]RTI-55 for Dopamine transporter site


J Med Chem 37: 1262-8 (1994)


Article DOI: 10.1021/jm00035a005
BindingDB Entry DOI: 10.7270/Q2TH8NBM
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50296782
PNG
((1R,2S,3S,5S)-methyl 8-((E)-3-iodoallyl)-3-p-tolyl...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C\C=C\I
Show InChI InChI=1S/C19H24INO2/c1-13-4-6-14(7-5-13)16-12-15-8-9-17(18(16)19(22)23-2)21(15)11-3-10-20/h3-7,10,15-18H,8-9,11-12H2,1-2H3/b10-3+/t15-,16+,17+,18-/m0/s1
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n/an/an/a 4n/an/an/an/an/a



Johannes Gutenberg University

Curated by ChEMBL


Assay Description
Binding affinity to rat DAT


Bioorg Med Chem Lett 22: 679-82 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.053
BindingDB Entry DOI: 10.7270/Q2ZW1N2D
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50061891
PNG
(9-{3-[4-(6-Isothiocyanato-hexyl)-3,5-dimethyl-pipe...)
Show SMILES CC1CN(CCCn2c3ccccc3c3ccccc23)CC(C)N1CCCCCCN=C=S
Show InChI InChI=1S/C28H38N4S/c1-23-20-30(21-24(2)31(23)18-10-4-3-9-16-29-22-33)17-11-19-32-27-14-7-5-12-25(27)26-13-6-8-15-28(26)32/h5-8,12-15,23-24H,3-4,9-11,16-21H2,1-2H3
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n/an/an/a 7.60n/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Dissociation constant(KD) of [3H]WIN-35428 at saturation in rat caudate-putamen tissue pre-incubated in buffer at 100 nM (Dopamine transporter)


J Med Chem 40: 4340-46 (1998)


Article DOI: 10.1021/jm9705519
BindingDB Entry DOI: 10.7270/Q26H4J34
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50061891
PNG
(9-{3-[4-(6-Isothiocyanato-hexyl)-3,5-dimethyl-pipe...)
Show SMILES CC1CN(CCCn2c3ccccc3c3ccccc23)CC(C)N1CCCCCCN=C=S
Show InChI InChI=1S/C28H38N4S/c1-23-20-30(21-24(2)31(23)18-10-4-3-9-16-29-22-33)17-11-19-32-27-14-7-5-12-25(27)26-13-6-8-15-28(26)32/h5-8,12-15,23-24H,3-4,9-11,16-21H2,1-2H3
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n/an/an/a 7.60n/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Dissociation constant(KD) of [3H]WIN-35428 at saturation in rat caudate-putamen tissue pre-incubated in buffer at 100 nM (Dopamine transporter)


J Med Chem 40: 4340-46 (1998)


Article DOI: 10.1021/jm9705519
BindingDB Entry DOI: 10.7270/Q26H4J34
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50005536
PNG
(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2
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n/an/an/a 8.60n/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to a single, sodium-dependent site on the Dopamine transporter in rat striatal membranes


Bioorg Med Chem Lett 10: 1443-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00269-9
BindingDB Entry DOI: 10.7270/Q2CZ37PP
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50401015
PNG
(CHEMBL1947086)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C\C=C\CF
Show InChI InChI=1S/C20H26FNO2/c1-14-5-7-15(8-6-14)17-13-16-9-10-18(19(17)20(23)24-2)22(16)12-4-3-11-21/h3-8,16-19H,9-13H2,1-2H3/b4-3+/t16-,17+,18+,19-/m0/s1
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n/an/an/a 9n/an/an/an/an/a



Johannes Gutenberg University

Curated by ChEMBL


Assay Description
Binding affinity to rat DAT


Bioorg Med Chem Lett 22: 679-82 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.053
BindingDB Entry DOI: 10.7270/Q2ZW1N2D
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50061891
PNG
(9-{3-[4-(6-Isothiocyanato-hexyl)-3,5-dimethyl-pipe...)
Show SMILES CC1CN(CCCn2c3ccccc3c3ccccc23)CC(C)N1CCCCCCN=C=S
Show InChI InChI=1S/C28H38N4S/c1-23-20-30(21-24(2)31(23)18-10-4-3-9-16-29-22-33)17-11-19-32-27-14-7-5-12-25(27)26-13-6-8-15-28(26)32/h5-8,12-15,23-24H,3-4,9-11,16-21H2,1-2H3
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n/an/an/a 17n/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Dissociation constant(KD) of [3H]WIN-35428 at saturation in rat caudate-putamen tissue pre-incubated in buffer (Dopamine transporter)


J Med Chem 40: 4340-46 (1998)


Article DOI: 10.1021/jm9705519
BindingDB Entry DOI: 10.7270/Q26H4J34
More data for this
Ligand-Target Pair