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8 similar compounds to monomer 50008056

Compile data set for download or QSAR
Wt: 260.3
BDBM80505
Purchase
Wt: 317.3
BDBM50005580
Wt: 275.3
BDBM50008051
Wt: 281.2
BDBM50008061
Wt: 317.3
BDBM50008044
Wt: 275.3
BDBM50042481
Wt: 245.3
BDBM50419731
Wt: 245.3
BDBM50419747
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 80505,50005580,50008051,50008061,50008044,50042481,50419731,50419747   
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
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419731
PNG
(CHEMBL1947051)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14+
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2.00E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Bioorg Med Chem Lett 22: 1448-54 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.008
BindingDB Entry DOI: 10.7270/Q26Q1ZHD
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM50419731
PNG
(CHEMBL1947051)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14+
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3.98E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillat...


Bioorg Med Chem Lett 22: 1448-54 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.008
BindingDB Entry DOI: 10.7270/Q26Q1ZHD
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419747
PNG
(CHEMBL1947052)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14-
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6.31E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Bioorg Med Chem Lett 22: 1448-54 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.008
BindingDB Entry DOI: 10.7270/Q26Q1ZHD
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM50419747
PNG
(CHEMBL1947052)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14-
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1.58E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillat...


Bioorg Med Chem Lett 22: 1448-54 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.008
BindingDB Entry DOI: 10.7270/Q26Q1ZHD
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50419731
PNG
(CHEMBL1947051)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14+
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1.58E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from nAChR alpha7 receptor in human SH-SY5Y cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.008
BindingDB Entry DOI: 10.7270/Q26Q1ZHD
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50419731
PNG
(CHEMBL1947051)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14+
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>3.16E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human nAChR alpha4beta2 receptor expressed in human HEK293T cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.008
BindingDB Entry DOI: 10.7270/Q26Q1ZHD
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50008044
PNG
(Benzoic acid 2-acetoxymethyl-8-methyl-8-aza-bicycl...)
Show SMILES CN1[C@@H]2CCC1C(COC(C)=O)[C@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C18H23NO4/c1-12(20)22-11-15-16-9-8-14(19(16)2)10-17(15)23-18(21)13-6-4-3-5-7-13/h3-7,14-17H,8-11H2,1-2H3/t14-,15?,16?,17+/m1/s1
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n/an/a 272n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]3-beta-(p-fluorophenyl)tropane-2beta-carboxylic acid methyl ester binding to Dopamine transporter in rat striatal membranes.


J Med Chem 35: 135-40 (1992)


Article DOI: 10.1021/jm00079a017
BindingDB Entry DOI: 10.7270/Q2FQ9X7M
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50008051
PNG
(Benzoic acid 2-hydroxymethyl-8-methyl-8-aza-bicycl...)
Show SMILES CN1[C@@H]2CCC1C(CO)[C@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C16H21NO3/c1-17-12-7-8-14(17)13(10-18)15(9-12)20-16(19)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3/t12-,13?,14?,15+/m1/s1
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n/an/a 561n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]3-beta-(p-fluorophenyl)tropane-2beta-carboxylic acid methyl ester binding to Dopamine transporter in rat striatal membranes.


J Med Chem 35: 135-40 (1992)


Article DOI: 10.1021/jm00079a017
BindingDB Entry DOI: 10.7270/Q2FQ9X7M
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50008061
PNG
(3,5-Difluoro-benzoic acid 6-methyl-6-aza-bicyclo[3...)
Show SMILES CN1CC2CC1CC(C2)OC(=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C15H17F2NO2/c1-18-8-9-2-13(18)7-14(3-9)20-15(19)10-4-11(16)6-12(17)5-10/h4-6,9,13-14H,2-3,7-8H2,1H3
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n/an/a 9.03E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]3-beta-(p-fluorophenyl)tropane-2beta-carboxylic acid methyl ester [3H]7a binding to Dopamine transporter of rat striatal membranes


J Med Chem 35: 141-4 (1992)


Article DOI: 10.1021/jm00079a018
BindingDB Entry DOI: 10.7270/Q29Z95H8
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50005580
PNG
(Benzoic acid 2-acetoxymethyl-8-methyl-8-aza-bicycl...)
Show SMILES CN1[C@@H]2CCC1C(COC(C)=O)[C@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C18H23NO4/c1-12(20)22-11-15-16-9-8-14(19(16)2)10-17(15)23-18(21)13-6-4-3-5-7-13/h3-7,14-17H,8-11H2,1-2H3/t14-,15?,16?,17+/m1/s1
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n/an/a 272n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Potency for the 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))
BDBM50042481
PNG
(CHEMBL333998 | R-Benzoic acid 2-hydroxymethyl-8-me...)
Show SMILES CN1C2CCC1C(CO)[C@@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C16H21NO3/c1-17-12-7-8-14(17)13(10-18)15(9-12)20-16(19)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3/t12?,13?,14?,15-/m1/s1
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n/an/a 561n/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
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50419747
PNG
(CHEMBL1947052)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14-
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n/an/a 5.18E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]3-beta-(p-fluorophenyl)tropane-2beta-carboxylic acid methyl ester [3H]7a binding to Dopamine transporter of rat striatal membranes


J Med Chem 35: 141-4 (1992)


Article DOI: 10.1021/jm00079a018
BindingDB Entry DOI: 10.7270/Q29Z95H8
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50419747
PNG
(CHEMBL1947052)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14-
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n/an/a 3.30E+3n/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
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50419747
PNG
(CHEMBL1947052)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14-
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n/an/a 2.30E+4n/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))
BDBM50419747
PNG
(CHEMBL1947052)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14-
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n/an/a 1.10E+5n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]mazindol 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))
BDBM50419747
PNG
(CHEMBL1947052)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14-
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n/an/a 1.86E+5n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Potency for the 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))
BDBM50419747
PNG
(CHEMBL1947052)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14-
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n/an/a 1.50E+4n/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))
BDBM50419747
PNG
(CHEMBL1947052)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14-
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n/an/a 5.18E+3n/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 (DAT)


(Rattus norvegicus (rat))
BDBM50419747
PNG
(CHEMBL1947052)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14-
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n/an/a 2.12E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Potency for the 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))
BDBM50419747
PNG
(CHEMBL1947052)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14-
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n/an/a 2.12E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]3-beta-(p-fluorophenyl)tropane-2beta-carboxylic acid methyl ester [3H]7a binding to Dopamine transporter of rat striatal membranes


J Med Chem 35: 141-4 (1992)


Article DOI: 10.1021/jm00079a018
BindingDB Entry DOI: 10.7270/Q29Z95H8
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50419747
PNG
(CHEMBL1947052)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14-
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Article
PubMed
n/an/a 5.18E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]3-beta-(p-fluorophenyl)tropane-2beta-carboxylic acid methyl ester binding to Dopamine transporter in rat striatal membranes.


J Med Chem 35: 135-40 (1992)


Article DOI: 10.1021/jm00079a017
BindingDB Entry DOI: 10.7270/Q2FQ9X7M
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50419747
PNG
(CHEMBL1947052)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14-
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n/an/a 5.18E+3n/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
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM80505
PNG
((8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) be...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C16H22NO2/c1-17(2)13-8-9-14(17)11-15(10-13)19-16(18)12-6-4-3-5-7-12/h3-7,13-15H,8-11H2,1-2H3/q+1
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n/an/a 2.96E+3n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q24F1P6P
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM80505
PNG
((8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) be...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C16H22NO2/c1-17(2)13-8-9-14(17)11-15(10-13)19-16(18)12-6-4-3-5-7-12/h3-7,13-15H,8-11H2,1-2H3/q+1
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n/an/a 1.75E+3n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2862DX0
More data for this
Ligand-Target Pair