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9 similar compounds to monomer 50005578

Compile data set for download or QSAR
Wt: 426.2
BDBM50006225
Wt: 524.8
BDBM50006227
Wt: 398.9
BDBM50006230
Wt: 424.9
BDBM50006231
Wt: 550.8
BDBM50107328
Wt: 578.8
BDBM50107334
Wt: 398.9
BDBM50127397
Wt: 585.2
BDBM50130350
Wt: 502.3
BDBM50197205

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50006225,50006227,50006230,50006231,50107328,50107334,50127397,50130350,50197205   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50107328
PNG
(3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)OCCc1ccc(N=[N+]=[N-])c(I)c1
Show InChI InChI=1S/C23H24ClIN4O2/c1-29-17-7-9-21(29)22(18(13-17)15-3-5-16(24)6-4-15)23(30)31-11-10-14-2-8-20(27-28-26)19(25)12-14/h2-6,8,12,17-18,21-22H,7,9-11,13H2,1H3
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14.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35 428 binding at dopamine transporter (DAT) in rat caudate putamen


J Med Chem 44: 4453-61 (2001)


Article DOI: 10.1021/jm0101904
BindingDB Entry DOI: 10.7270/Q2F47PV5
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50197205
PNG
(3beta-(4'-azido-3'-iodo-biphenyl-4-yl)-8-methyl-8-...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccc(N=[N+]=[N-])c(I)c1)N2C
Show InChI InChI=1S/C22H23IN4O2/c1-27-16-8-10-20(27)21(22(28)29-2)17(12-16)14-5-3-13(4-6-14)15-7-9-19(25-26-24)18(23)11-15/h3-7,9,11,16-17,20-21H,8,10,12H2,1-2H3/t16?,17-,20?,21+/m1/s1
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15.1n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN 35428 from DAT in rat striatal membrane


J Med Chem 49: 6621-5 (2006)


Article DOI: 10.1021/jm0603973
BindingDB Entry DOI: 10.7270/Q2CZ36SM
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50107334
PNG
(8-[4-(4-Azido-3-iodo-phenyl)-butyl]-3-(4-chloro-ph...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2CCCCc1ccc(N=[N+]=[N-])c(I)c1
Show InChI InChI=1S/C25H28ClIN4O2/c1-33-25(32)24-20(17-6-8-18(26)9-7-17)15-19-10-12-23(24)31(19)13-3-2-4-16-5-11-22(29-30-28)21(27)14-16/h5-9,11,14,19-20,23-24H,2-4,10,12-13,15H2,1H3
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33n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35 428 binding at dopamine transporter (DAT) in rat caudate putamen


J Med Chem 44: 4453-61 (2001)


Article DOI: 10.1021/jm0101904
BindingDB Entry DOI: 10.7270/Q2F47PV5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50197205
PNG
(3beta-(4'-azido-3'-iodo-biphenyl-4-yl)-8-methyl-8-...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccc(N=[N+]=[N-])c(I)c1)N2C
Show InChI InChI=1S/C22H23IN4O2/c1-27-16-8-10-20(27)21(22(28)29-2)17(12-16)14-5-3-13(4-6-14)15-7-9-19(25-26-24)18(23)11-15/h3-7,9,11,16-17,20-21H,8,10,12H2,1-2H3/t16?,17-,20?,21+/m1/s1
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109n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]citaloporam from SERT in rat brain


J Med Chem 49: 6621-5 (2006)


Article DOI: 10.1021/jm0603973
BindingDB Entry DOI: 10.7270/Q2CZ36SM
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50127397
PNG
(3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CN1[C@@H]2CCC1C([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCc1ccc(N)cc1
Show InChI InChI=1S/C23H27ClN2O2/c1-26-19-10-11-21(26)22(20(14-19)16-4-6-17(24)7-5-16)23(27)28-13-12-15-2-8-18(25)9-3-15/h2-9,19-22H,10-14,25H2,1H3/t19-,20-,21?,22?/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding at dopamine transporter was determined


J Med Chem 46: 1775-94 (2003)


Article DOI: 10.1021/jm030092d
BindingDB Entry DOI: 10.7270/Q2FF3T3J
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50006231
PNG
(3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCc1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C23H25ClN4O2/c1-28-19-10-11-21(28)22(20(14-19)16-4-6-17(24)7-5-16)23(29)30-13-12-15-2-8-18(9-3-15)26-27-25/h2-9,19-22H,10-14H2,1H3/t19?,20-,21?,22+/m1/s1
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n/an/a 6.20n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35248 binding to the dopamine transporter in rat striatal membranes.


J Med Chem 35: 1813-7 (1992)


Article DOI: 10.1021/jm00088a017
BindingDB Entry DOI: 10.7270/Q29024D6
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50130350
PNG
(3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)c(Cl)c1)C(=O)OCCc1ccc(N=[N+]=[N-])c(I)c1
Show InChI InChI=1S/C23H23Cl2IN4O2/c1-30-15-4-7-21(30)22(16(12-15)14-3-5-17(24)18(25)11-14)23(31)32-9-8-13-2-6-20(28-29-27)19(26)10-13/h2-3,5-6,10-11,15-16,21-22H,4,7-9,12H2,1H3/t15?,16-,21?,22+/m1/s1
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n/an/a 14.5n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of dopamine transporter using [3H]WIN-35428 as radioligand was determined


J Med Chem 46: 2908-16 (2003)


Article DOI: 10.1021/jm0300375
BindingDB Entry DOI: 10.7270/Q2BG2PQ0
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50006227
PNG
(3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCc1ccc(N)c(I)c1
Show InChI InChI=1S/C23H26ClIN2O2/c1-27-17-7-9-21(27)22(18(13-17)15-3-5-16(24)6-4-15)23(28)29-11-10-14-2-8-20(26)19(25)12-14/h2-6,8,12,17-18,21-22H,7,9-11,13,26H2,1H3/t17?,18-,21?,22+/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35248 binding to the dopamine transporter in rat striatal membranes.


J Med Chem 35: 1813-7 (1992)


Article DOI: 10.1021/jm00088a017
BindingDB Entry DOI: 10.7270/Q29024D6
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50006225
PNG
(3-(4-Azido-3-iodo-phenyl)-8-methyl-8-aza-bicyclo[3...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(N=[N+]=[N-])c(I)c1)N2C
Show InChI InChI=1S/C16H19IN4O2/c1-21-10-4-6-14(21)15(16(22)23-2)11(8-10)9-3-5-13(19-20-18)12(17)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3/t10?,11-,14?,15+/m1/s1
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n/an/a 4.90n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35248 binding to the dopamine transporter in rat striatal membranes.


J Med Chem 35: 1813-7 (1992)


Article DOI: 10.1021/jm00088a017
BindingDB Entry DOI: 10.7270/Q29024D6
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50006230
PNG
(2-(4-aminophenyl)ethyl (2S,3S)-3-(4-chlorophenyl)-...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCc1ccc(N)cc1
Show InChI InChI=1S/C23H27ClN2O2/c1-26-19-10-11-21(26)22(20(14-19)16-4-6-17(24)7-5-16)23(27)28-13-12-15-2-8-18(25)9-3-15/h2-9,19-22H,10-14,25H2,1H3/t19?,20-,21?,22+/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35248 binding to the dopamine transporter in rat striatal membranes.


J Med Chem 35: 1813-7 (1992)


Article DOI: 10.1021/jm00088a017
BindingDB Entry DOI: 10.7270/Q29024D6
More data for this
Ligand-Target Pair