BindingDB logo
myBDB logout

PubMed code 8201589

Compile data set for download or QSAR
Found 11 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))
BDBM50041628
PNG
((2S,3S,5R)-8-(3-Fluoro-propyl)-3-(4-iodo-phenyl)-8...)
Show SMILES CC(C)OC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2CCCF
Show InChI InChI=1S/C20H27FINO2/c1-13(2)25-20(24)19-17(14-4-6-15(22)7-5-14)12-16-8-9-18(19)23(16)11-3-10-21/h4-7,13,16-19H,3,8-12H2,1-2H3/t16-,17-,18?,19+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporters in rat brain tissue.


J Med Chem 37: 1558-61 (1994)


Article DOI: 10.1021/jm00037a004
BindingDB Entry DOI: 10.7270/Q2P55P4H
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50041625
PNG
((2S,5R)-3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3...)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](CC1c1ccc(I)cc1)N2C
Show InChI InChI=1S/C16H20INO2/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,7-9H2,1-2H3/t12-,13?,14?,15+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporters in rat brain tissue.


J Med Chem 37: 1558-61 (1994)


Article DOI: 10.1021/jm00037a004
BindingDB Entry DOI: 10.7270/Q2P55P4H
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50041627
PNG
((2S,5R)-8-(3-Fluoro-propyl)-3-(4-iodo-phenyl)-8-az...)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](CC1c1ccc(I)cc1)N2CCCF
Show InChI InChI=1S/C18H23FINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3/t14-,15?,16?,17+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.5n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporters in rat brain tissue.


J Med Chem 37: 1558-61 (1994)


Article DOI: 10.1021/jm00037a004
BindingDB Entry DOI: 10.7270/Q2P55P4H
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50041630
PNG
((2S,5R)-8-(2-Fluoro-ethyl)-3-(4-iodo-phenyl)-8-aza...)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](CC1c1ccc(I)cc1)N2CCF
Show InChI InChI=1S/C17H21FINO2/c1-22-17(21)16-14(11-2-4-12(19)5-3-11)10-13-6-7-15(16)20(13)9-8-18/h2-5,13-16H,6-10H2,1H3/t13-,14?,15?,16+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporters in rat brain tissue.


J Med Chem 37: 1558-61 (1994)


Article DOI: 10.1021/jm00037a004
BindingDB Entry DOI: 10.7270/Q2P55P4H
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50041632
PNG
((2S,3S,5R)-8-(2-Fluoro-ethyl)-3-(4-iodo-phenyl)-8-...)
Show SMILES CC(C)OC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2CCF
Show InChI InChI=1S/C19H25FINO2/c1-12(2)24-19(23)18-16(13-3-5-14(21)6-4-13)11-15-7-8-17(18)22(15)10-9-20/h3-6,12,15-18H,7-11H2,1-2H3/t15-,16-,17?,18+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.40n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporters in rat brain tissue.


J Med Chem 37: 1558-61 (1994)


Article DOI: 10.1021/jm00037a004
BindingDB Entry DOI: 10.7270/Q2P55P4H
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50041624
PNG
((2S,5R)-3-(4-Fluoro-phenyl)-8-methyl-8-aza-bicyclo...)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](CC1c1ccc(F)cc1)N2C
Show InChI InChI=1S/C16H20FNO2/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,7-9H2,1-2H3/t12-,13?,14?,15+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
15n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporters in rat brain tissue.


J Med Chem 37: 1558-61 (1994)


Article DOI: 10.1021/jm00037a004
BindingDB Entry DOI: 10.7270/Q2P55P4H
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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
510n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporters in rat brain tissue.


J Med Chem 37: 1558-61 (1994)


Article DOI: 10.1021/jm00037a004
BindingDB Entry DOI: 10.7270/Q2P55P4H
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50041629
PNG
((2S,5R)-8-(2-Fluoro-ethyl)-3-(4-trimethylstannanyl...)
Show SMILES CC(C)OC(=O)[C@@H]1C2CC[C@H](CC1c1ccc(cc1)[Sn](C)(C)C)N2CCF
Show InChI InChI=1S/C19H25FNO2.3CH3.Sn/c1-13(2)23-19(22)18-16(14-6-4-3-5-7-14)12-15-8-9-17(18)21(15)11-10-20;;;;/h4-7,13,15-18H,8-12H2,1-2H3;3*1H3;/t15-,16?,17?,18+;;;;/m1..../s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.15E+3n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporters in rat brain tissue.


J Med Chem 37: 1558-61 (1994)


Article DOI: 10.1021/jm00037a004
BindingDB Entry DOI: 10.7270/Q2P55P4H
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50041626
PNG
((2S,5R)-8-(3-Fluoro-propyl)-3-(4-trimethylstannany...)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](CC1c1ccc(cc1)[Sn](C)(C)C)N2CCCF
Show InChI InChI=1S/C18H23FNO2.3CH3.Sn/c1-22-18(21)17-15(13-6-3-2-4-7-13)12-14-8-9-16(17)20(14)11-5-10-19;;;;/h3-4,6-7,14-17H,5,8-12H2,1H3;3*1H3;/t14-,15?,16?,17+;;;;/m1..../s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporters in rat brain tissue.


J Med Chem 37: 1558-61 (1994)


Article DOI: 10.1021/jm00037a004
BindingDB Entry DOI: 10.7270/Q2P55P4H
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50041631
PNG
((2S,5R)-8-(3-Fluoro-propyl)-3-(4-trimethylstannany...)
Show SMILES CC(C)OC(=O)[C@@H]1C2CC[C@H](CC1c1ccc(cc1)[Sn](C)(C)C)N2CCCF
Show InChI InChI=1S/C20H27FNO2.3CH3.Sn/c1-14(2)24-20(23)19-17(15-7-4-3-5-8-15)13-16-9-10-18(19)22(16)12-6-11-21;;;;/h4-5,7-8,14,16-19H,6,9-13H2,1-2H3;3*1H3;/t16-,17?,18?,19+;;;;/m1..../s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporters in rat brain tissue.


J Med Chem 37: 1558-61 (1994)


Article DOI: 10.1021/jm00037a004
BindingDB Entry DOI: 10.7270/Q2P55P4H
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50041623
PNG
((2S,5R)-8-(2-Fluoro-ethyl)-3-(4-trimethylstannanyl...)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](CC1c1ccc(cc1)[Sn](C)(C)C)N2CCF
Show InChI InChI=1S/C17H21FNO2.3CH3.Sn/c1-21-17(20)16-14(12-5-3-2-4-6-12)11-13-7-8-15(16)19(13)10-9-18;;;;/h3-6,13-16H,7-11H2,1H3;3*1H3;/t13-,14?,15?,16+;;;;/m1..../s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporters in rat brain tissue.


J Med Chem 37: 1558-61 (1994)


Article DOI: 10.1021/jm00037a004
BindingDB Entry DOI: 10.7270/Q2P55P4H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%