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PubMed code 8057273

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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PubMed
12n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]WIN-35428 binding in rat caudate-putamen


J Med Chem 37: 2258-61 (1994)


Article DOI: 10.1021/jm00041a002
BindingDB Entry DOI: 10.7270/Q2FJ2HFZ
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM86701
PNG
(3-(bis(4-fluorophenyl)methoxy)-8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H23F2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
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12n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]WIN-35428 binding in rat caudate-putamen


J Med Chem 37: 2258-61 (1994)


Article DOI: 10.1021/jm00041a002
BindingDB Entry DOI: 10.7270/Q2FJ2HFZ
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50039177
PNG
(3-[Bis-(4-chloro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23Cl2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
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20n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]WIN-35428 binding in rat caudate-putamen


J Med Chem 37: 2258-61 (1994)


Article DOI: 10.1021/jm00041a002
BindingDB Entry DOI: 10.7270/Q2FJ2HFZ
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50453376
PNG
(CHEMBL3085569)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClNO.ClH/c1-23-18-11-12-19(23)14-20(13-18)24-21(15-5-3-2-4-6-15)16-7-9-17(22)10-8-16;/h2-10,18-21H,11-14H2,1H3;1H/t18-,19+,20+,21?;
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30n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]WIN-35428 binding in rat caudate-putamen


J Med Chem 37: 2258-61 (1994)


Article DOI: 10.1021/jm00041a002
BindingDB Entry DOI: 10.7270/Q2FJ2HFZ
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50039175
PNG
(3-[(4-Methoxy-phenyl)-phenyl-methoxy]-8-methyl-8-a...)
Show SMILES COc1ccc(cc1)C(OC1CC2CCC(C1)N2C)c1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-23-18-10-11-19(23)15-21(14-18)25-22(16-6-4-3-5-7-16)17-8-12-20(24-2)13-9-17/h3-9,12-13,18-19,21-22H,10-11,14-15H2,1-2H3
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78n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]WIN-35428 binding in rat caudate-putamen


J Med Chem 37: 2258-61 (1994)


Article DOI: 10.1021/jm00041a002
BindingDB Entry DOI: 10.7270/Q2FJ2HFZ
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50366775
PNG
(BENZTROPINE | Benzatropine)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20+
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118n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]WIN-35428 binding in rat caudate-putamen


J Med Chem 37: 2258-61 (1994)


Article DOI: 10.1021/jm00041a002
BindingDB Entry DOI: 10.7270/Q2FJ2HFZ
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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388n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]WIN-35428 binding in rat caudate-putamen


J Med Chem 37: 2258-61 (1994)


Article DOI: 10.1021/jm00041a002
BindingDB Entry DOI: 10.7270/Q2FJ2HFZ
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM86702
PNG
(3-[(4-Chloro-phenyl)-phenyl-methoxy]-8-methyl-8-az...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClNO/c1-23-18-11-12-19(23)14-20(13-18)24-21(15-5-3-2-4-6-15)16-7-9-17(22)10-8-16/h2-10,18-21H,11-14H2,1H3
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854n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]WIN-35428 binding in rat caudate-putamen


J Med Chem 37: 2258-61 (1994)


Article DOI: 10.1021/jm00041a002
BindingDB Entry DOI: 10.7270/Q2FJ2HFZ
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50039178
PNG
(3-[Bis-(4-methoxy-phenyl)-methoxy]-8-methyl-8-aza-...)
Show SMILES COc1ccc(cc1)C(OC1CC2CCC(C1)N2C)c1ccc(OC)cc1
Show InChI InChI=1S/C23H29NO3/c1-24-18-8-9-19(24)15-22(14-18)27-23(16-4-10-20(25-2)11-5-16)17-6-12-21(26-3)13-7-17/h4-7,10-13,18-19,22-23H,8-9,14-15H2,1-3H3
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2.00E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]WIN-35428 binding in rat caudate-putamen


J Med Chem 37: 2258-61 (1994)


Article DOI: 10.1021/jm00041a002
BindingDB Entry DOI: 10.7270/Q2FJ2HFZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%