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Compile Data Set for Download or QSAR

Found 178 hits with Last Name = 'prakash' and Initial = 'kr'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50083623
PNG
((3R,8R)-8-Phenethyl-2-phenyl-3-p-tolyl-8-aza-bicyc...)
Show SMILES Cc1ccc(cc1)[C@@H]1CC2CCC(C1c1ccccc1)N2CCc1ccccc1
Show InChI InChI=1S/C28H31N/c1-21-12-14-23(15-13-21)26-20-25-16-17-27(28(26)24-10-6-3-7-11-24)29(25)19-18-22-8-4-2-5-9-22/h2-15,25-28H,16-20H2,1H3/t25?,26-,27?,28?/m0/s1
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0.950n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol from cocaine binding site on Dopamine transporter (DAT)


Bioorg Med Chem Lett 9: 3325-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00607-1
BindingDB Entry DOI: 10.7270/Q2RB754D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50068477
PNG
((2S,8S)-8-Methyl-2-propyl-3-p-tolyl-8-aza-bicyclo[...)
Show SMILES CCC[C@@H]1C2CCC(CC1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C18H27N/c1-4-5-16-17(14-8-6-13(2)7-9-14)12-15-10-11-18(16)19(15)3/h6-9,15-18H,4-5,10-12H2,1-3H3/t15?,16-,17?,18?/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for [3H]DA (Dopamine transporter) uptake by striated synaptosomes


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50068470
PNG
((2S,8S)-2-Butyl-8-methyl-3-p-tolyl-8-aza-bicyclo[3...)
Show SMILES CCCC[C@@H]1C2CCC(CC1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C19H29N/c1-4-5-6-17-18(15-9-7-14(2)8-10-15)13-16-11-12-19(17)20(16)3/h7-10,16-19H,4-6,11-13H2,1-3H3/t16?,17-,18?,19?/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for [3H]DA (Dopamine transporter) uptake by striated synaptosomes


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50083617
PNG
((3R,8R)-2,3-Bis-(4-fluoro-phenyl)-8-phenethyl-8-az...)
Show SMILES Fc1ccc(cc1)[C@@H]1CC2CCC(C1c1ccc(F)cc1)N2CCc1ccccc1
Show InChI InChI=1S/C27H27F2N/c28-22-10-6-20(7-11-22)25-18-24-14-15-26(27(25)21-8-12-23(29)13-9-21)30(24)17-16-19-4-2-1-3-5-19/h1-13,24-27H,14-18H2/t24?,25-,26?,27?/m0/s1
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>1.30n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at striatal nerve endings by serotonin transporter


Bioorg Med Chem Lett 9: 3325-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00607-1
BindingDB Entry DOI: 10.7270/Q2RB754D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50083623
PNG
((3R,8R)-8-Phenethyl-2-phenyl-3-p-tolyl-8-aza-bicyc...)
Show SMILES Cc1ccc(cc1)[C@@H]1CC2CCC(C1c1ccccc1)N2CCc1ccccc1
Show InChI InChI=1S/C28H31N/c1-21-12-14-23(15-13-21)26-20-25-16-17-27(28(26)24-10-6-3-7-11-24)29(25)19-18-22-8-4-2-5-9-22/h2-15,25-28H,16-20H2,1H3/t25?,26-,27?,28?/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at striatal nerve endings by dopamine transporter


Bioorg Med Chem Lett 9: 3325-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00607-1
BindingDB Entry DOI: 10.7270/Q2RB754D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50068477
PNG
((2S,8S)-8-Methyl-2-propyl-3-p-tolyl-8-aza-bicyclo[...)
Show SMILES CCC[C@@H]1C2CCC(CC1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C18H27N/c1-4-5-16-17(14-8-6-13(2)7-9-14)12-15-10-11-18(16)19(15)3/h6-9,15-18H,4-5,10-12H2,1-3H3/t15?,16-,17?,18?/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity of compound on dopamine transporters of rat striated membranes using [3H]- mazindol.


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50068470
PNG
((2S,8S)-2-Butyl-8-methyl-3-p-tolyl-8-aza-bicyclo[3...)
Show SMILES CCCC[C@@H]1C2CCC(CC1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C19H29N/c1-4-5-6-17-18(15-9-7-14(2)8-10-15)13-16-11-12-19(17)20(16)3/h7-10,16-19H,4-6,11-13H2,1-3H3/t16?,17-,18?,19?/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity of compound on dopamine transporters of rat striated membranes using [3H]- mazindol.


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50068473
PNG
((2S,8S)-3-(4-Fluoro-phenyl)-8-methyl-2-propyl-8-az...)
Show SMILES CCC[C@@H]1C2CCC(CC1c1ccc(F)cc1)N2C
Show InChI InChI=1S/C17H24FN/c1-3-4-15-16(12-5-7-13(18)8-6-12)11-14-9-10-17(15)19(14)2/h5-8,14-17H,3-4,9-11H2,1-2H3/t14?,15-,16?,17?/m0/s1
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2n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for [3H]DA (Dopamine transporter) uptake by striated synaptosomes


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50068471
PNG
((2R,8S)-8-Methyl-2-phenyl-3-p-tolyl-8-aza-bicyclo[...)
Show SMILES CN1C2CCC1[C@H](C(C2)c1ccc(C)cc1)c1ccccc1
Show InChI InChI=1S/C21H25N/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(22(18)2)21(19)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18?,19?,20?,21-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity of compound on dopamine transporters of rat striated membranes using [3H]- mazindol.


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50068479
PNG
((2S,3R,5R)-8-Methyl-2-phenyl-3-p-tolyl-8-aza-bicyc...)
Show SMILES CN1[C@@H]2CCC1[C@@H]([C@@H](C2)c1ccc(C)cc1)c1ccccc1
Show InChI InChI=1S/C21H25N/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(22(18)2)21(19)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18-,19+,20?,21-/m1/s1
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2.90n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity of compound on dopamine transporters of rat striated membranes using [3H]- mazindol.


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50068471
PNG
((2R,8S)-8-Methyl-2-phenyl-3-p-tolyl-8-aza-bicyclo[...)
Show SMILES CN1C2CCC1[C@H](C(C2)c1ccc(C)cc1)c1ccccc1
Show InChI InChI=1S/C21H25N/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(22(18)2)21(19)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18?,19?,20?,21-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for [3H]DA (Dopamine transporter) uptake by striated synaptosomes


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50068479
PNG
((2S,3R,5R)-8-Methyl-2-phenyl-3-p-tolyl-8-aza-bicyc...)
Show SMILES CN1[C@@H]2CCC1[C@@H]([C@@H](C2)c1ccc(C)cc1)c1ccccc1
Show InChI InChI=1S/C21H25N/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(22(18)2)21(19)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18-,19+,20?,21-/m1/s1
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4.20n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for [3H]DA (Dopamine transporter) uptake by striated synaptosomes


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50068481
PNG
((2S,3R,5R)-3-(4-Fluoro-phenyl)-8-methyl-2-phenyl-8...)
Show SMILES CN1[C@@H]2CCC1[C@@H]([C@@H](C2)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C20H22FN/c1-22-17-11-12-19(22)20(15-5-3-2-4-6-15)18(13-17)14-7-9-16(21)10-8-14/h2-10,17-20H,11-13H2,1H3/t17-,18+,19?,20-/m1/s1
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4.60n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for [3H]DA (Dopamine transporter) uptake by striated synaptosomes


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50068471
PNG
((2R,8S)-8-Methyl-2-phenyl-3-p-tolyl-8-aza-bicyclo[...)
Show SMILES CN1C2CCC1[C@H](C(C2)c1ccc(C)cc1)c1ccccc1
Show InChI InChI=1S/C21H25N/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(22(18)2)21(19)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18?,19?,20?,21-/m0/s1
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4.60n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at striatal nerve endings by dopamine transporter


Bioorg Med Chem Lett 9: 3325-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00607-1
BindingDB Entry DOI: 10.7270/Q2RB754D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50068473
PNG
((2S,8S)-3-(4-Fluoro-phenyl)-8-methyl-2-propyl-8-az...)
Show SMILES CCC[C@@H]1C2CCC(CC1c1ccc(F)cc1)N2C
Show InChI InChI=1S/C17H24FN/c1-3-4-15-16(12-5-7-13(18)8-6-12)11-14-9-10-17(15)19(14)2/h5-8,14-17H,3-4,9-11H2,1-2H3/t14?,15-,16?,17?/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity of compound on dopamine transporters of rat striated membranes using [3H]- mazindol.


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50006781
PNG
((2S,3S)-methyl 8-methyl-3-p-tolyl-8-aza-bicyclo[3....)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14-,15?,16+/m1/s1
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5.80n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity of compound on dopamine transporters of rat striated membranes using [3H]- mazindol.


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50342601
PNG
(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(N)CC(C)=C2
Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15-/m0/s1
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5.90n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity towards Acetylcholinesterase from fetal bovine serum


Bioorg Med Chem Lett 10: 2467-9 (2001)


Article DOI: 10.1016/s0960-894x(00)00494-7
BindingDB Entry DOI: 10.7270/Q2R211X1
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50068471
PNG
((2R,8S)-8-Methyl-2-phenyl-3-p-tolyl-8-aza-bicyclo[...)
Show SMILES CN1C2CCC1[C@H](C(C2)c1ccc(C)cc1)c1ccccc1
Show InChI InChI=1S/C21H25N/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(22(18)2)21(19)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18?,19?,20?,21-/m0/s1
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6n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol from cocaine binding site on Dopamine transporter (DAT)


Bioorg Med Chem Lett 9: 3325-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00607-1
BindingDB Entry DOI: 10.7270/Q2RB754D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50068481
PNG
((2S,3R,5R)-3-(4-Fluoro-phenyl)-8-methyl-2-phenyl-8...)
Show SMILES CN1[C@@H]2CCC1[C@@H]([C@@H](C2)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C20H22FN/c1-22-17-11-12-19(22)20(15-5-3-2-4-6-15)18(13-17)14-7-9-16(21)10-8-14/h2-10,17-20H,11-13H2,1H3/t17-,18+,19?,20-/m1/s1
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6n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity of compound on dopamine transporters of rat striated membranes using [3H]- mazindol.


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50006781
PNG
((2S,3S)-methyl 8-methyl-3-p-tolyl-8-aza-bicyclo[3....)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14-,15?,16+/m1/s1
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6.90n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for [3H]DA (Dopamine transporter) uptake by striated synaptosomes


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50032537
PNG
((2S,3S)-8-Methyl-3-phenyl-2-propyl-8-aza-bicyclo[3...)
Show SMILES CCC[C@@H]1C2CCC(C[C@@H]1c1ccccc1)N2C
Show InChI InChI=1S/C17H25N/c1-3-7-15-16(13-8-5-4-6-9-13)12-14-10-11-17(15)18(14)2/h4-6,8-9,14-17H,3,7,10-12H2,1-2H3/t14?,15-,16+,17?/m0/s1
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6.90n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for [3H]DA (Dopamine transporter) uptake by striated synaptosomes


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50093799
PNG
((R)-1-Amino-13-eth-(E)-ylidene-8,8,11-trimethyl-6-...)
Show SMILES C\C=C1/C2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2(C)C
Show InChI InChI=1S/C17H22N2O/c1-5-11-13-8-10(2)9-17(11,18)12-6-7-14(20)19-15(12)16(13,3)4/h5-8,13H,9,18H2,1-4H3,(H,19,20)/b11-5+/t13?,17-/m1/s1
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7.70n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity towards Acetylcholinesterase from fetal bovine serum


Bioorg Med Chem Lett 10: 2467-9 (2001)


Article DOI: 10.1016/s0960-894x(00)00494-7
BindingDB Entry DOI: 10.7270/Q2R211X1
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50068482
PNG
((2R,3R,5R)-8-Methyl-2-propyl-3-p-tolyl-8-aza-bicyc...)
Show SMILES CCC[C@H]1C2CC[C@H](C[C@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C18H27N/c1-4-5-16-17(14-8-6-13(2)7-9-14)12-15-10-11-18(16)19(15)3/h6-9,15-18H,4-5,10-12H2,1-3H3/t15-,16-,17+,18?/m1/s1
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8.90n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity of compound on dopamine transporters of rat striated membranes using [3H]- mazindol.


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50083617
PNG
((3R,8R)-2,3-Bis-(4-fluoro-phenyl)-8-phenethyl-8-az...)
Show SMILES Fc1ccc(cc1)[C@@H]1CC2CCC(C1c1ccc(F)cc1)N2CCc1ccccc1
Show InChI InChI=1S/C27H27F2N/c28-22-10-6-20(7-11-22)25-18-24-14-15-26(27(25)21-8-12-23(29)13-9-21)30(24)17-16-19-4-2-1-3-5-19/h1-13,24-27H,14-18H2/t24?,25-,26?,27?/m0/s1
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10n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol from cocaine binding site on Dopamine transporter (DAT)


Bioorg Med Chem Lett 9: 3325-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00607-1
BindingDB Entry DOI: 10.7270/Q2RB754D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50068477
PNG
((2S,8S)-8-Methyl-2-propyl-3-p-tolyl-8-aza-bicyclo[...)
Show SMILES CCC[C@@H]1C2CCC(CC1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C18H27N/c1-4-5-16-17(14-8-6-13(2)7-9-14)12-15-10-11-18(16)19(15)3/h6-9,15-18H,4-5,10-12H2,1-3H3/t15?,16-,17?,18?/m0/s1
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10n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for Serotonin transporter was determined by [3H]5-HT (serotonin) uptake by striated synaptosomes


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50068480
PNG
((2R,3R,5R)-2-Butyl-8-methyl-3-p-tolyl-8-aza-bicycl...)
Show SMILES CCCC[C@H]1C2CC[C@H](C[C@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C19H29N/c1-4-5-6-17-18(15-9-7-14(2)8-10-15)13-16-11-12-19(17)20(16)3/h7-10,16-19H,4-6,11-13H2,1-3H3/t16-,17-,18+,19?/m1/s1
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10n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for [3H]DA (Dopamine transporter) uptake by striated synaptosomes


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50068480
PNG
((2R,3R,5R)-2-Butyl-8-methyl-3-p-tolyl-8-aza-bicycl...)
Show SMILES CCCC[C@H]1C2CC[C@H](C[C@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C19H29N/c1-4-5-6-17-18(15-9-7-14(2)8-10-15)13-16-11-12-19(17)20(16)3/h7-10,16-19H,4-6,11-13H2,1-3H3/t16-,17-,18+,19?/m1/s1
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11n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity of compound on dopamine transporters of rat striated membranes using [3H]- mazindol.


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50068478
PNG
((2S,3R,5R)-8-Methyl-2,3-diphenyl-8-aza-bicyclo[3.2...)
Show SMILES CN1[C@@H]2CCC1[C@@H]([C@@H](C2)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H23N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17-,18+,19?,20-/m1/s1
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12n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for [3H]DA (Dopamine transporter) uptake by striated synaptosomes


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50068482
PNG
((2R,3R,5R)-8-Methyl-2-propyl-3-p-tolyl-8-aza-bicyc...)
Show SMILES CCC[C@H]1C2CC[C@H](C[C@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C18H27N/c1-4-5-16-17(14-8-6-13(2)7-9-14)12-15-10-11-18(16)19(15)3/h6-9,15-18H,4-5,10-12H2,1-3H3/t15-,16-,17+,18?/m1/s1
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12n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for [3H]DA (Dopamine transporter) uptake by striated synaptosomes


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50006781
PNG
((2S,3S)-methyl 8-methyl-3-p-tolyl-8-aza-bicyclo[3....)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14-,15?,16+/m1/s1
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12n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity on dopamine and serotonin transporters in striated membranes using [3H]- paroxetine


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50068475
PNG
((2R,3R,5R)-3-(4-Fluoro-phenyl)-8-methyl-2-propyl-8...)
Show SMILES CCC[C@H]1C2CC[C@H](C[C@H]1c1ccc(F)cc1)N2C
Show InChI InChI=1S/C17H24FN/c1-3-4-15-16(12-5-7-13(18)8-6-12)11-14-9-10-17(15)19(14)2/h5-8,14-17H,3-4,9-11H2,1-2H3/t14-,15-,16+,17?/m1/s1
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12n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for [3H]DA (Dopamine transporter) uptake by striated synaptosomes


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50032537
PNG
((2S,3S)-8-Methyl-3-phenyl-2-propyl-8-aza-bicyclo[3...)
Show SMILES CCC[C@@H]1C2CCC(C[C@@H]1c1ccccc1)N2C
Show InChI InChI=1S/C17H25N/c1-3-7-15-16(13-8-5-4-6-9-13)12-14-10-11-17(15)18(14)2/h4-6,8-9,14-17H,3,7,10-12H2,1-2H3/t14?,15-,16+,17?/m0/s1
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12n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity of compound on dopamine transporters of rat striated membranes using [3H]- mazindol.


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50068478
PNG
((2S,3R,5R)-8-Methyl-2,3-diphenyl-8-aza-bicyclo[3.2...)
Show SMILES CN1[C@@H]2CCC1[C@@H]([C@@H](C2)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H23N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17-,18+,19?,20-/m1/s1
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14n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity of compound on dopamine transporters of rat striated membranes using [3H]- mazindol.


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50083619
PNG
((3R,8R)-2,3-Bis-(4-fluoro-phenyl)-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1C([C@@H](C2)c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C20H21F2N/c1-23-17-10-11-19(23)20(14-4-8-16(22)9-5-14)18(12-17)13-2-6-15(21)7-3-13/h2-9,17-20H,10-12H2,1H3/t17?,18-,19?,20?/m0/s1
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14n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol from cocaine binding site on Dopamine transporter (DAT)


Bioorg Med Chem Lett 9: 3325-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00607-1
BindingDB Entry DOI: 10.7270/Q2RB754D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50068470
PNG
((2S,8S)-2-Butyl-8-methyl-3-p-tolyl-8-aza-bicyclo[3...)
Show SMILES CCCC[C@@H]1C2CCC(CC1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C19H29N/c1-4-5-6-17-18(15-9-7-14(2)8-10-15)13-16-11-12-19(17)20(16)3/h7-10,16-19H,4-6,11-13H2,1-3H3/t16?,17-,18?,19?/m0/s1
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15n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for Serotonin transporter was determined by [3H]5-HT (serotonin) uptake by striated synaptosomes


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50083621
PNG
((3R,8R)-2,3-Bis-(4-fluoro-phenyl)-8-(3-phenyl-prop...)
Show SMILES Fc1ccc(cc1)[C@@H]1CC2CCC(C1c1ccc(F)cc1)N2CCCc1ccccc1
Show InChI InChI=1S/C28H29F2N/c29-23-12-8-21(9-13-23)26-19-25-16-17-27(28(26)22-10-14-24(30)15-11-22)31(25)18-4-7-20-5-2-1-3-6-20/h1-3,5-6,8-15,25-28H,4,7,16-19H2/t25?,26-,27?,28?/m0/s1
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16n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol from cocaine binding site on Dopamine transporter (DAT)


Bioorg Med Chem Lett 9: 3325-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00607-1
BindingDB Entry DOI: 10.7270/Q2RB754D
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50093799
PNG
((R)-1-Amino-13-eth-(E)-ylidene-8,8,11-trimethyl-6-...)
Show SMILES C\C=C1/C2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2(C)C
Show InChI InChI=1S/C17H22N2O/c1-5-11-13-8-10(2)9-17(11,18)12-6-7-14(20)19-15(12)16(13,3)4/h5-8,13H,9,18H2,1-4H3,(H,19,20)/b11-5+/t13?,17-/m1/s1
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17n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity towards Acetylcholinesterase from fetal bovine serum


Bioorg Med Chem Lett 10: 2467-9 (2001)


Article DOI: 10.1016/s0960-894x(00)00494-7
BindingDB Entry DOI: 10.7270/Q2R211X1
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50083618
PNG
((3R,8R)-2,3-Bis-(4-fluoro-phenyl)-8-aza-bicyclo[3....)
Show SMILES Fc1ccc(cc1)[C@@H]1CC2CCC(N2)C1c1ccc(F)cc1
Show InChI InChI=1S/C19H19F2N/c20-14-5-1-12(2-6-14)17-11-16-9-10-18(22-16)19(17)13-3-7-15(21)8-4-13/h1-8,16-19,22H,9-11H2/t16?,17-,18?,19?/m0/s1
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17n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at striatal nerve endings by dopamine transporter


Bioorg Med Chem Lett 9: 3325-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00607-1
BindingDB Entry DOI: 10.7270/Q2RB754D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50068475
PNG
((2R,3R,5R)-3-(4-Fluoro-phenyl)-8-methyl-2-propyl-8...)
Show SMILES CCC[C@H]1C2CC[C@H](C[C@H]1c1ccc(F)cc1)N2C
Show InChI InChI=1S/C17H24FN/c1-3-4-15-16(12-5-7-13(18)8-6-12)11-14-9-10-17(15)19(14)2/h5-8,14-17H,3-4,9-11H2,1-2H3/t14-,15-,16+,17?/m1/s1
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21n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity of compound on dopamine transporters of rat striated membranes using [3H]- mazindol.


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50068473
PNG
((2S,8S)-3-(4-Fluoro-phenyl)-8-methyl-2-propyl-8-az...)
Show SMILES CCC[C@@H]1C2CCC(CC1c1ccc(F)cc1)N2C
Show InChI InChI=1S/C17H24FN/c1-3-4-15-16(12-5-7-13(18)8-6-12)11-14-9-10-17(15)19(14)2/h5-8,14-17H,3-4,9-11H2,1-2H3/t14?,15-,16?,17?/m0/s1
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22n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for Serotonin transporter was determined by [3H]5-HT (serotonin) uptake by striated synaptosomes


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50083624
PNG
((3R,8R)-8-[2-(4-Fluoro-phenoxy)-ethyl]-2,3-bis-(4-...)
Show SMILES Fc1ccc(OCCN2C3CCC2C([C@@H](C3)c2ccc(F)cc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H26F3NO/c28-20-5-1-18(2-6-20)25-17-23-11-14-26(27(25)19-3-7-21(29)8-4-19)31(23)15-16-32-24-12-9-22(30)10-13-24/h1-10,12-13,23,25-27H,11,14-17H2/t23?,25-,26?,27?/m0/s1
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22n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol from cocaine binding site on Dopamine transporter (DAT)


Bioorg Med Chem Lett 9: 3325-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00607-1
BindingDB Entry DOI: 10.7270/Q2RB754D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50006781
PNG
((2S,3S)-methyl 8-methyl-3-p-tolyl-8-aza-bicyclo[3....)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14-,15?,16+/m1/s1
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23n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for Serotonin transporter was determined by [3H]5-HT (serotonin) uptake by striated synaptosomes


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50083617
PNG
((3R,8R)-2,3-Bis-(4-fluoro-phenyl)-8-phenethyl-8-az...)
Show SMILES Fc1ccc(cc1)[C@@H]1CC2CCC(C1c1ccc(F)cc1)N2CCc1ccccc1
Show InChI InChI=1S/C27H27F2N/c28-22-10-6-20(7-11-22)25-18-24-14-15-26(27(25)21-8-12-23(29)13-9-21)30(24)17-16-19-4-2-1-3-5-19/h1-13,24-27H,14-18H2/t24?,25-,26?,27?/m0/s1
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26n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol from cocaine binding site on Dopamine transporter (DAT)


Bioorg Med Chem Lett 9: 3325-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00607-1
BindingDB Entry DOI: 10.7270/Q2RB754D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50083624
PNG
((3R,8R)-8-[2-(4-Fluoro-phenoxy)-ethyl]-2,3-bis-(4-...)
Show SMILES Fc1ccc(OCCN2C3CCC2C([C@@H](C3)c2ccc(F)cc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H26F3NO/c28-20-5-1-18(2-6-20)25-17-23-11-14-26(27(25)19-3-7-21(29)8-4-19)31(23)15-16-32-24-12-9-22(30)10-13-24/h1-10,12-13,23,25-27H,11,14-17H2/t23?,25-,26?,27?/m0/s1
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27n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at striatal nerve endings by dopamine transporter


Bioorg Med Chem Lett 9: 3325-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00607-1
BindingDB Entry DOI: 10.7270/Q2RB754D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50057426
PNG
((R)-8-Methyl-2,3-diphenyl-8-aza-bicyclo[3.2.1]octa...)
Show SMILES CN1C2CCC1C(C(C2)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H23N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3
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29n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for [3H]DA (Dopamine transporter) uptake by striated synaptosomes


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50068469
PNG
((2R,3R,5R)-8-Methyl-3-phenyl-2-propyl-8-aza-bicycl...)
Show SMILES CCC[C@H]1C2CC[C@H](C[C@H]1c1ccccc1)N2C
Show InChI InChI=1S/C17H25N/c1-3-7-15-16(13-8-5-4-6-9-13)12-14-10-11-17(15)18(14)2/h4-6,8-9,14-17H,3,7,10-12H2,1-2H3/t14-,15-,16+,17?/m1/s1
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30n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for [3H]DA (Dopamine transporter) uptake by striated synaptosomes


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50089513
PNG
((S)-7-Fluoro-3-(4-fluoro-phenyl)-8-methyl-2-propyl...)
Show SMILES CCCC1C2[C@@H](F)CC(CC1c1ccc(F)cc1)N2C
Show InChI InChI=1S/C17H23F2N/c1-3-4-14-15(11-5-7-12(18)8-6-11)9-13-10-16(19)17(14)20(13)2/h5-8,13-17H,3-4,9-10H2,1-2H3/t13?,14?,15?,16-,17?/m0/s1
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30n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
ability to displace [3H]- Mazindol binding to cocaine binding sites on Dopamine transporter of 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
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50083619
PNG
((3R,8R)-2,3-Bis-(4-fluoro-phenyl)-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1C([C@@H](C2)c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C20H21F2N/c1-23-17-10-11-19(23)20(14-4-8-16(22)9-5-14)18(12-17)13-2-6-15(21)7-3-13/h2-9,17-20H,10-12H2,1H3/t17?,18-,19?,20?/m0/s1
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31n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol from cocaine binding site on Dopamine transporter (DAT)


Bioorg Med Chem Lett 9: 3325-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00607-1
BindingDB Entry DOI: 10.7270/Q2RB754D
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50093799
PNG
((R)-1-Amino-13-eth-(E)-ylidene-8,8,11-trimethyl-6-...)
Show SMILES C\C=C1/C2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2(C)C
Show InChI InChI=1S/C17H22N2O/c1-5-11-13-8-10(2)9-17(11,18)12-6-7-14(20)19-15(12)16(13,3)4/h5-8,13H,9,18H2,1-4H3,(H,19,20)/b11-5+/t13?,17-/m1/s1
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31n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity towards Acetylcholinesterase from fetal bovine serum


Bioorg Med Chem Lett 10: 2467-9 (2001)


Article DOI: 10.1016/s0960-894x(00)00494-7
BindingDB Entry DOI: 10.7270/Q2R211X1
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50083618
PNG
((3R,8R)-2,3-Bis-(4-fluoro-phenyl)-8-aza-bicyclo[3....)
Show SMILES Fc1ccc(cc1)[C@@H]1CC2CCC(N2)C1c1ccc(F)cc1
Show InChI InChI=1S/C19H19F2N/c20-14-5-1-12(2-6-14)17-11-16-9-10-18(22-16)19(17)13-3-7-15(21)8-4-13/h1-8,16-19,22H,9-11H2/t16?,17-,18?,19?/m0/s1
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41n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at striatal nerve endings by serotonin transporter


Bioorg Med Chem Lett 9: 3325-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00607-1
BindingDB Entry DOI: 10.7270/Q2RB754D
More data for this
Ligand-Target Pair
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