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5 similar compounds to monomer 50005569

Compile data set for download or QSAR
Wt: 304.3
BDBM50005559
Wt: 318.3
BDBM50005570
Wt: 450.5
BDBM50005574
Wt: 360.4
BDBM50005543
Wt: 450.5
BDBM50008042

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50005559,50005570,50005574,50005543,50008042   
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))
BDBM50005543
PNG
(3-(4-Isothiocyanato-benzoyloxy)-8-methyl-8-aza-bic...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)c1ccc(cc1)N=C=S)N2C
Show InChI InChI=1S/C18H20N2O4S/c1-20-13-7-8-14(20)16(18(22)23-2)15(9-13)24-17(21)11-3-5-12(6-4-11)19-10-25/h3-6,13-16H,7-9H2,1-2H3/t13-,14?,15+,16?/m1/s1
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n/an/a 1.05E+3n/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))
BDBM50005559
PNG
(3-(4-Amino-benzoyloxy)-8-methyl-8-aza-bicyclo[3.2....)
Show SMILES CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccc(N)cc1)C(O)=O
Show InChI InChI=1S/C16H20N2O4/c1-18-11-6-7-12(18)14(15(19)20)13(8-11)22-16(21)9-2-4-10(17)5-3-9/h2-5,11-14H,6-8,17H2,1H3,(H,19,20)/t11-,12?,13+,14?/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-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))
BDBM50008042
PNG
(3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2...)
Show SMILES CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccccc1)C(=O)OCCc1ccc(cc1)N=C=S
Show InChI InChI=1S/C25H26N2O4S/c1-27-20-11-12-21(27)23(22(15-20)31-24(28)18-5-3-2-4-6-18)25(29)30-14-13-17-7-9-19(10-8-17)26-16-32/h2-10,20-23H,11-15H2,1H3/t20-,21?,22+,23?/m1/s1
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n/an/a 196n/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))
BDBM50005574
PNG
(3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2...)
Show SMILES CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccccc1)C(=O)OCCc1ccc(cc1)N=C=S
Show InChI InChI=1S/C25H26N2O4S/c1-27-20-11-12-21(27)23(22(15-20)31-24(28)18-5-3-2-4-6-18)25(29)30-14-13-17-7-9-19(10-8-17)26-16-32/h2-10,20-23H,11-15H2,1H3/t20-,21?,22+,23?/m1/s1
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n/an/a 196n/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))
BDBM50005570
PNG
(3-(4-Amino-benzoyloxy)-8-methyl-8-aza-bicyclo[3.2....)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)c1ccc(N)cc1)N2C
Show InChI InChI=1S/C17H22N2O4/c1-19-12-7-8-13(19)15(17(21)22-2)14(9-12)23-16(20)10-3-5-11(18)6-4-10/h3-6,12-15H,7-9,18H2,1-2H3/t12-,13?,14+,15?/m1/s1
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n/an/a 3.04E+3n/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))
BDBM50005570
PNG
(3-(4-Amino-benzoyloxy)-8-methyl-8-aza-bicyclo[3.2....)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)c1ccc(N)cc1)N2C
Show InChI InChI=1S/C17H22N2O4/c1-19-12-7-8-13(19)15(17(21)22-2)14(9-12)23-16(20)10-3-5-11(18)6-4-10/h3-6,12-15H,7-9,18H2,1-2H3/t12-,13?,14+,15?/m1/s1
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n/an/a 1.23E+3n/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))
BDBM50005543
PNG
(3-(4-Isothiocyanato-benzoyloxy)-8-methyl-8-aza-bic...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)c1ccc(cc1)N=C=S)N2C
Show InChI InChI=1S/C18H20N2O4S/c1-20-13-7-8-14(20)16(18(22)23-2)15(9-13)24-17(21)11-3-5-12(6-4-11)19-10-25/h3-6,13-16H,7-9H2,1-2H3/t13-,14?,15+,16?/m1/s1
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n/an/a 2.78E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]GBR-12935 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))
BDBM50005559
PNG
(3-(4-Amino-benzoyloxy)-8-methyl-8-aza-bicyclo[3.2....)
Show SMILES CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccc(N)cc1)C(O)=O
Show InChI InChI=1S/C16H20N2O4/c1-18-11-6-7-12(18)14(15(19)20)13(8-11)22-16(21)9-2-4-10(17)5-3-9/h2-5,11-14H,6-8,17H2,1H3,(H,19,20)/t11-,12?,13+,14?/m1/s1
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n/an/a 8.25E+3n/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))
BDBM50005543
PNG
(3-(4-Isothiocyanato-benzoyloxy)-8-methyl-8-aza-bic...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)c1ccc(cc1)N=C=S)N2C
Show InChI InChI=1S/C18H20N2O4S/c1-20-13-7-8-14(20)16(18(22)23-2)15(9-13)24-17(21)11-3-5-12(6-4-11)19-10-25/h3-6,13-16H,7-9H2,1-2H3/t13-,14?,15+,16?/m1/s1
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n/an/a 276n/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))
BDBM50005559
PNG
(3-(4-Amino-benzoyloxy)-8-methyl-8-aza-bicyclo[3.2....)
Show SMILES CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccc(N)cc1)C(O)=O
Show InChI InChI=1S/C16H20N2O4/c1-18-11-6-7-12(18)14(15(19)20)13(8-11)22-16(21)9-2-4-10(17)5-3-9/h2-5,11-14H,6-8,17H2,1H3,(H,19,20)/t11-,12?,13+,14?/m1/s1
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n/an/a 4.51E+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))
BDBM50005559
PNG
(3-(4-Amino-benzoyloxy)-8-methyl-8-aza-bicyclo[3.2....)
Show SMILES CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccc(N)cc1)C(O)=O
Show InChI InChI=1S/C16H20N2O4/c1-18-11-6-7-12(18)14(15(19)20)13(8-11)22-16(21)9-2-4-10(17)5-3-9/h2-5,11-14H,6-8,17H2,1H3,(H,19,20)/t11-,12?,13+,14?/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]GBR-12935 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))
BDBM50005574
PNG
(3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2...)
Show SMILES CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccccc1)C(=O)OCCc1ccc(cc1)N=C=S
Show InChI InChI=1S/C25H26N2O4S/c1-27-20-11-12-21(27)23(22(15-20)31-24(28)18-5-3-2-4-6-18)25(29)30-14-13-17-7-9-19(10-8-17)26-16-32/h2-10,20-23H,11-15H2,1H3/t20-,21?,22+,23?/m1/s1
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n/an/a 196n/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