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16 similar compounds to monomer 50005544

Compile data set for download or QSAR
Wt: 274.3
BDBM50005572
Wt: 428.9
BDBM50006238
Wt: 304.3
BDBM50453397
Wt: 304.3
BDBM50015692
Wt: 349.3
BDBM50015694
Wt: 274.3
BDBM50015695
Wt: 300.3
BDBM50453094
Wt: 274.3
BDBM50453097
Wt: 274.3
BDBM50042479
Wt: 350.4
BDBM50091427
Wt: 380.4
BDBM50091431
Wt: 380.4
BDBM50091435
Wt: 380.4
BDBM50091436
Wt: 380.4
BDBM50197206
Wt: 350.4
BDBM50197207
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 36 hits for monomerid = 50005572,50006238,50453397,50015692,50015694,50015695,50453094,50453097,50042479,50091427,50091431,50091435,50091436,50197206,50197207   
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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50091436
PNG
(8-Methyl-3-(3'-nitro-biphenyl-4-yl)-8-aza-bicyclo[...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccc(c1)[N+]([O-])=O)N2C
Show InChI InChI=1S/C22H24N2O4/c1-23-17-10-11-20(23)21(22(25)28-2)19(13-17)15-8-6-14(7-9-15)16-4-3-5-18(12-16)24(26)27/h3-9,12,17,19-21H,10-11,13H2,1-2H3
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0.800n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Affinity for Serotonin transporter by displacing [3H]-Paroxetine from rat forebrain


Bioorg Med Chem Lett 10: 1783-5 (2000)


Article DOI: 10.1016/s0960-894x(00)00317-6
BindingDB Entry DOI: 10.7270/Q2N015RT
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50005572
PNG
((3S,8R)-3-(4-Amino-phenyl)-8-methyl-8-aza-bicyclo[...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(N)cc1)N2C
Show InChI InChI=1S/C16H22N2O2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9,17H2,1-2H3/t12-,13-,14?,15?/m1/s1
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2.15n/an/an/an/an/an/an/an/a



NIH

Curated by PDSP Ki Database




Synapse 39: 32-41 (2001)


Article DOI: 10.1002/1098-2396(20010101)39:1
BindingDB Entry DOI: 10.7270/Q2NV9GT3
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50197206
PNG
(8-methyl-3beta-(4'-nitro-biphenyl-4-yl)-8-aza-bicy...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccc(cc1)[N+]([O-])=O)N2C
Show InChI InChI=1S/C22H24N2O4/c1-23-18-11-12-20(23)21(22(25)28-2)19(13-18)16-5-3-14(4-6-16)15-7-9-17(10-8-15)24(26)27/h3-10,18-21H,11-13H2,1-2H3/t18?,19-,20?,21+/m1/s1
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5.03n/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))
BDBM50091435
PNG
(8-Methyl-3-(4'-nitro-biphenyl-4-yl)-8-aza-bicyclo[...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(cc1)[N+]([O-])=O)N2C
Show InChI InChI=1S/C22H24N2O4/c1-23-18-11-12-20(23)21(22(25)28-2)19(13-18)16-5-3-14(4-6-16)15-7-9-17(10-8-15)24(26)27/h3-10,18-21H,11-13H2,1-2H3
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5.10n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]-GBR-12,935 from rat forebrain Dopamine transporter


Bioorg Med Chem Lett 10: 1783-5 (2000)


Article DOI: 10.1016/s0960-894x(00)00317-6
BindingDB Entry DOI: 10.7270/Q2N015RT
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50091436
PNG
(8-Methyl-3-(3'-nitro-biphenyl-4-yl)-8-aza-bicyclo[...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccc(c1)[N+]([O-])=O)N2C
Show InChI InChI=1S/C22H24N2O4/c1-23-17-10-11-20(23)21(22(25)28-2)19(13-17)15-8-6-14(7-9-15)16-4-3-5-18(12-16)24(26)27/h3-9,12,17,19-21H,10-11,13H2,1-2H3
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9.5n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]-GBR-12,935 from rat forebrain Dopamine transporter


Bioorg Med Chem Lett 10: 1783-5 (2000)


Article DOI: 10.1016/s0960-894x(00)00317-6
BindingDB Entry DOI: 10.7270/Q2N015RT
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50005572
PNG
((3S,8R)-3-(4-Amino-phenyl)-8-methyl-8-aza-bicyclo[...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(N)cc1)N2C
Show InChI InChI=1S/C16H22N2O2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9,17H2,1-2H3/t12-,13-,14?,15?/m1/s1
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9.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1229-36 (1999)


BindingDB Entry DOI: 10.7270/Q2TX3CWQ
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50197207
PNG
(3beta-(4'-amino-biphenyl-4-yl)-8-methyl-8-aza-bicy...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccc(N)cc1)N2C
Show InChI InChI=1S/C22H26N2O2/c1-24-18-11-12-20(24)21(22(25)26-2)19(13-18)16-5-3-14(4-6-16)15-7-9-17(23)10-8-15/h3-10,18-21H,11-13,23H2,1-2H3/t18?,19-,20?,21+/m1/s1
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12.9n/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))
BDBM50091427
PNG
(3-(3'-Amino-biphenyl-4-yl)-8-methyl-8-aza-bicyclo[...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccc(N)c1)N2C
Show InChI InChI=1S/C22H26N2O2/c1-24-18-10-11-20(24)21(22(25)26-2)19(13-18)15-8-6-14(7-9-15)16-4-3-5-17(23)12-16/h3-9,12,18-21H,10-11,13,23H2,1-2H3
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24n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]-GBR-12,935 from rat forebrain Dopamine transporter


Bioorg Med Chem Lett 10: 1783-5 (2000)


Article DOI: 10.1016/s0960-894x(00)00317-6
BindingDB Entry DOI: 10.7270/Q2N015RT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50091435
PNG
(8-Methyl-3-(4'-nitro-biphenyl-4-yl)-8-aza-bicyclo[...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(cc1)[N+]([O-])=O)N2C
Show InChI InChI=1S/C22H24N2O4/c1-23-18-11-12-20(23)21(22(25)28-2)19(13-18)16-5-3-14(4-6-16)15-7-9-17(10-8-15)24(26)27/h3-10,18-21H,11-13H2,1-2H3
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30n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Affinity for Serotonin transporter by displacing [3H]-Paroxetine from rat forebrain


Bioorg Med Chem Lett 10: 1783-5 (2000)


Article DOI: 10.1016/s0960-894x(00)00317-6
BindingDB Entry DOI: 10.7270/Q2N015RT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50197206
PNG
(8-methyl-3beta-(4'-nitro-biphenyl-4-yl)-8-aza-bicy...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccc(cc1)[N+]([O-])=O)N2C
Show InChI InChI=1S/C22H24N2O4/c1-23-18-11-12-20(23)21(22(25)28-2)19(13-18)16-5-3-14(4-6-16)15-7-9-17(10-8-15)24(26)27/h3-10,18-21H,11-13H2,1-2H3/t18?,19-,20?,21+/m1/s1
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51n/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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50091427
PNG
(3-(3'-Amino-biphenyl-4-yl)-8-methyl-8-aza-bicyclo[...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccc(N)c1)N2C
Show InChI InChI=1S/C22H26N2O2/c1-24-18-10-11-20(24)21(22(25)26-2)19(13-18)15-8-6-14(7-9-15)16-4-3-5-17(23)12-16/h3-9,12,18-21H,10-11,13,23H2,1-2H3
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67n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Affinity for Serotonin transporter by displacing [3H]-Paroxetine from rat forebrain


Bioorg Med Chem Lett 10: 1783-5 (2000)


Article DOI: 10.1016/s0960-894x(00)00317-6
BindingDB Entry DOI: 10.7270/Q2N015RT
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM50005572
PNG
((3S,8R)-3-(4-Amino-phenyl)-8-methyl-8-aza-bicyclo[...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(N)cc1)N2C
Show InChI InChI=1S/C16H22N2O2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9,17H2,1-2H3/t12-,13-,14?,15?/m1/s1
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151n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1229-36 (1999)


BindingDB Entry DOI: 10.7270/Q2TX3CWQ
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50091435
PNG
(8-Methyl-3-(4'-nitro-biphenyl-4-yl)-8-aza-bicyclo[...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(cc1)[N+]([O-])=O)N2C
Show InChI InChI=1S/C22H24N2O4/c1-23-18-11-12-20(23)21(22(25)28-2)19(13-18)16-5-3-14(4-6-16)15-7-9-17(10-8-15)24(26)27/h3-10,18-21H,11-13H2,1-2H3
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370n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Compound has been evaluated for its affinity towards Norepinephrine transporter by displacing the radio isotope [3H]-Nisoxetine from rat forebrain


Bioorg Med Chem Lett 10: 1783-5 (2000)


Article DOI: 10.1016/s0960-894x(00)00317-6
BindingDB Entry DOI: 10.7270/Q2N015RT
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50091436
PNG
(8-Methyl-3-(3'-nitro-biphenyl-4-yl)-8-aza-bicyclo[...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccc(c1)[N+]([O-])=O)N2C
Show InChI InChI=1S/C22H24N2O4/c1-23-17-10-11-20(23)21(22(25)28-2)19(13-17)15-8-6-14(7-9-15)16-4-3-5-18(12-16)24(26)27/h3-9,12,17,19-21H,10-11,13H2,1-2H3
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963n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Compound has been evaluated for its affinity towards Norepinephrine transporter by displacing the radio isotope [3H]-Nisoxetine from rat forebrain


Bioorg Med Chem Lett 10: 1783-5 (2000)


Article DOI: 10.1016/s0960-894x(00)00317-6
BindingDB Entry DOI: 10.7270/Q2N015RT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50197207
PNG
(3beta-(4'-amino-biphenyl-4-yl)-8-methyl-8-aza-bicy...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccc(N)cc1)N2C
Show InChI InChI=1S/C22H26N2O2/c1-24-18-11-12-20(24)21(22(25)26-2)19(13-18)16-5-3-14(4-6-16)15-7-9-17(23)10-8-15/h3-10,18-21H,11-13,23H2,1-2H3/t18?,19-,20?,21+/m1/s1
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1.07E+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]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
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50091431
PNG
(8-Methyl-3-(2'-nitro-biphenyl-4-yl)-8-aza-bicyclo[...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccccc1[N+]([O-])=O)N2C
Show InChI InChI=1S/C22H24N2O4/c1-23-16-11-12-20(23)21(22(25)28-2)18(13-16)15-9-7-14(8-10-15)17-5-3-4-6-19(17)24(26)27/h3-10,16,18,20-21H,11-13H2,1-2H3
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>3.00E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Compound has been evaluated for its affinity towards Norepinephrine transporter by displacing the radio isotope [3H]-Nisoxetine from rat forebrain


Bioorg Med Chem Lett 10: 1783-5 (2000)


Article DOI: 10.1016/s0960-894x(00)00317-6
BindingDB Entry DOI: 10.7270/Q2N015RT
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50091431
PNG
(8-Methyl-3-(2'-nitro-biphenyl-4-yl)-8-aza-bicyclo[...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccccc1[N+]([O-])=O)N2C
Show InChI InChI=1S/C22H24N2O4/c1-23-16-11-12-20(23)21(22(25)28-2)18(13-16)15-9-7-14(8-10-15)17-5-3-4-6-19(17)24(26)27/h3-10,16,18,20-21H,11-13H2,1-2H3
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>3.00E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]-GBR-12,935 from rat forebrain Dopamine transporter


Bioorg Med Chem Lett 10: 1783-5 (2000)


Article DOI: 10.1016/s0960-894x(00)00317-6
BindingDB Entry DOI: 10.7270/Q2N015RT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50091431
PNG
(8-Methyl-3-(2'-nitro-biphenyl-4-yl)-8-aza-bicyclo[...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccccc1[N+]([O-])=O)N2C
Show InChI InChI=1S/C22H24N2O4/c1-23-16-11-12-20(23)21(22(25)28-2)18(13-16)15-9-7-14(8-10-15)17-5-3-4-6-19(17)24(26)27/h3-10,16,18,20-21H,11-13H2,1-2H3
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>3.00E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Affinity for Serotonin transporter by displacing [3H]-Paroxetine from rat forebrain


Bioorg Med Chem Lett 10: 1783-5 (2000)


Article DOI: 10.1016/s0960-894x(00)00317-6
BindingDB Entry DOI: 10.7270/Q2N015RT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50005572
PNG
((3S,8R)-3-(4-Amino-phenyl)-8-methyl-8-aza-bicyclo[...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(N)cc1)N2C
Show InChI InChI=1S/C16H22N2O2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9,17H2,1-2H3/t12-,13-,14?,15?/m1/s1
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5.11E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1229-36 (1999)


BindingDB Entry DOI: 10.7270/Q2TX3CWQ
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50453094
PNG
(CHEMBL2310852)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(cc1)N=[N+]=[N-])N2C
Show InChI InChI=1S/C16H20N4O2/c1-20-12-7-8-14(20)15(16(21)22-2)13(9-12)10-3-5-11(6-4-10)18-19-17/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to the dopamine transporter


J Med Chem 35: 969-81 (1992)


Article DOI: 10.1021/jm00084a001
BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50453097
PNG
(CHEMBL607198)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(N)cc1)N2C
Show InChI InChI=1S/C16H22N2O2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9,17H2,1-2H3/t12-,13-,14?,15+/m1/s1
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n/an/a 192n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]cocaine binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


Article DOI: 10.1021/jm00084a001
BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50453094
PNG
(CHEMBL2310852)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(cc1)N=[N+]=[N-])N2C
Show InChI InChI=1S/C16H20N4O2/c1-20-12-7-8-14(20)15(16(21)22-2)13(9-12)10-3-5-11(6-4-10)18-19-17/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15+/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


Article DOI: 10.1021/jm00044a007
BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50453397
PNG
(CHEMBL2373438)
Show SMILES COC(=O)C1C2CC[C@@H](C[C@@H]1c1ccc(cc1)[N+]([O-])=O)N2C
Show InChI InChI=1S/C16H20N2O4/c1-17-12-7-8-14(17)15(16(19)22-2)13(9-12)10-3-5-11(6-4-10)18(20)21/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14?,15?/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


Article DOI: 10.1021/jm00044a007
BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)
BDBM50015692
PNG
(8-Methyl-3-(4-nitro-phenyl)-8-aza-bicyclo[3.2.1]oc...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)[N+]([O-])=O)N2C
Show InChI InChI=1S/C16H20N2O4/c1-17-12-7-8-14(17)15(16(19)22-2)13(9-12)10-3-5-11(6-4-10)18(20)21/h3-6,12-15H,7-9H2,1-2H3
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n/an/a 213n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Competitive inhibition against [3H]cocaine binding to cocaine receptor in bovine striatal tissue


J Med Chem 33: 2024-7 (1990)


Article DOI: 10.1021/jm00169a036
BindingDB Entry DOI: 10.7270/Q2BG2PMN
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50453094
PNG
(CHEMBL2310852)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(cc1)N=[N+]=[N-])N2C
Show InChI InChI=1S/C16H20N4O2/c1-20-12-7-8-14(20)15(16(21)22-2)13(9-12)10-3-5-11(6-4-10)18-19-17/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15+/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Affinity against cocaine binding site of dopamine transporter in rat striatum using [3H]2b as radioligand.


J Med Chem 34: 2719-25 (1991)


Article DOI: 10.1021/jm00113a008
BindingDB Entry DOI: 10.7270/Q2ZS2X4Z
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50453097
PNG
(CHEMBL607198)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(N)cc1)N2C
Show InChI InChI=1S/C16H22N2O2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9,17H2,1-2H3/t12-,13-,14?,15+/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Affinity against cocaine binding site of dopamine transporter in rat striatum using [3H]2b as radioligand.


J Med Chem 34: 2719-25 (1991)


Article DOI: 10.1021/jm00113a008
BindingDB Entry DOI: 10.7270/Q2ZS2X4Z
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50453097
PNG
(CHEMBL607198)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(N)cc1)N2C
Show InChI InChI=1S/C16H22N2O2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9,17H2,1-2H3/t12-,13-,14?,15+/m1/s1
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n/an/a 557n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at dopamine transporter.


J Med Chem 35: 969-81 (1992)


Article DOI: 10.1021/jm00084a001
BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50006238
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+]([O-])=O
Show InChI InChI=1S/C23H25ClN2O4/c1-25-19-10-11-21(25)22(20(14-19)16-4-6-17(24)7-5-16)23(27)30-13-12-15-2-8-18(9-3-15)26(28)29/h2-9,19-22H,10-14H2,1H3/t19?,20-,21?,22+/m1/s1
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n/an/a 2.70n/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))
BDBM50005572
PNG
((3S,8R)-3-(4-Amino-phenyl)-8-methyl-8-aza-bicyclo[...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(N)cc1)N2C
Show InChI InChI=1S/C16H22N2O2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9,17H2,1-2H3/t12-,13-,14?,15?/m1/s1
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n/an/a 25n/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
SLC6A3


(BOVINE)
BDBM50015694
PNG
(3-(2,4-Dinitro-phenyl)-8-methyl-8-aza-bicyclo[3.2....)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)N2C
Show InChI InChI=1S/C16H19N3O6/c1-17-9-4-6-13(17)15(16(20)25-2)12(7-9)11-5-3-10(18(21)22)8-14(11)19(23)24/h3,5,8-9,12-13,15H,4,6-7H2,1-2H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Competitive inhibition against [3H]cocaine binding to cocaine receptor in bovine striatal tissue


J Med Chem 33: 2024-7 (1990)


Article DOI: 10.1021/jm00169a036
BindingDB Entry DOI: 10.7270/Q2BG2PMN
More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)
BDBM50015695
PNG
(3-(4-Amino-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oc...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(N)cc1)N2C
Show InChI InChI=1S/C16H22N2O2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9,17H2,1-2H3
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n/an/a 192n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Competitive inhibition against [3H]cocaine binding to cocaine receptor in bovine striatal tissue


J Med Chem 33: 2024-7 (1990)


Article DOI: 10.1021/jm00169a036
BindingDB Entry DOI: 10.7270/Q2BG2PMN
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50042479
PNG
(CHEMBL326519 | R-3-(4-Amino-phenyl)-8-methyl-8-aza...)
Show SMILES COC(=O)C1C2CCC(C[C@H]1c1ccc(N)cc1)N2C
Show InChI InChI=1S/C16H22N2O2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9,17H2,1-2H3/t12?,13-,14?,15?/m0/s1
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n/an/a 25n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to dopamine transporter in rat striatal membranes.


J Med Chem 36: 3572-9 (1994)


Article DOI: 10.1021/jm00075a012
BindingDB Entry DOI: 10.7270/Q24J0FQ5
More data for this
Ligand-Target Pair
Dopamine transporter


(BOVINE)
BDBM50015692
PNG
(8-Methyl-3-(4-nitro-phenyl)-8-aza-bicyclo[3.2.1]oc...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)[N+]([O-])=O)N2C
Show InChI InChI=1S/C16H20N2O4/c1-17-12-7-8-14(17)15(16(19)22-2)13(9-12)10-3-5-11(6-4-10)18(20)21/h3-6,12-15H,7-9H2,1-2H3
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n/an/a 137n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Competitive inhibition against [3H]cocaine binding to cocaine receptor in bovine striatal tissue


J Med Chem 33: 2024-7 (1990)


Article DOI: 10.1021/jm00169a036
BindingDB Entry DOI: 10.7270/Q2BG2PMN
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50453097
PNG
(CHEMBL607198)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(N)cc1)N2C
Show InChI InChI=1S/C16H22N2O2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9,17H2,1-2H3/t12-,13-,14?,15+/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to the dopamine transporter


J Med Chem 35: 969-81 (1992)


Article DOI: 10.1021/jm00084a001
BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50453094
PNG
(CHEMBL2310852)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(cc1)N=[N+]=[N-])N2C
Show InChI InChI=1S/C16H20N4O2/c1-20-12-7-8-14(20)15(16(21)22-2)13(9-12)10-3-5-11(6-4-10)18-19-17/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15+/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at dopamine transporter.


J Med Chem 35: 969-81 (1992)


Article DOI: 10.1021/jm00084a001
BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50453097
PNG
(CHEMBL607198)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(N)cc1)N2C
Show InChI InChI=1S/C16H22N2O2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9,17H2,1-2H3/t12-,13-,14?,15+/m1/s1
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n/an/a 9.80n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


Article DOI: 10.1021/jm00044a007
BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair