BindingDB logo
myBDB logout

PubMed code 1732521

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))
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
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 102n/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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50008063
PNG
(3-Benzoyloxy-8-aza-bicyclo[3.2.1]octane-2-carboxyl...)
Show SMILES COC(=O)C1C2CC[C@H](CC1OC(=O)c1ccccc1)N2
Show InChI InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11-,12?,13?,14?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 303n/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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50008058
PNG
(3-Benzoyloxy-8-benzyl-8-aza-bicyclo[3.2.1]octane-2...)
Show SMILES COC(=O)C1C2CC[C@H](CC1OC(=O)c1ccccc1)N2Cc1ccccc1
Show InChI InChI=1S/C23H25NO4/c1-27-23(26)21-19-13-12-18(24(19)15-16-8-4-2-5-9-16)14-20(21)28-22(25)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19?,20?,21?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 668n/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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50008060
PNG
(8-Acetyl-3-benzoyloxy-8-aza-bicyclo[3.2.1]octane-2...)
Show SMILES COC(=O)C1C2CC[C@H](CC1OC(=O)c1ccccc1)N2C(C)=O
Show InChI InChI=1S/C18H21NO5/c1-11(20)19-13-8-9-14(19)16(18(22)23-2)15(10-13)24-17(21)12-6-4-3-5-7-12/h3-7,13-16H,8-10H2,1-2H3/t13-,14?,15?,16?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.37E+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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50008056
PNG
((+)-Benzoic acid 6-methyl-6-aza-bicyclo[3.2.1]oct-...)
Show SMILES CN1CC2CC1CC(C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C15H19NO2/c1-16-10-11-7-13(16)9-14(8-11)18-15(17)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 4.95E+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


Citation and Details
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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50008062
PNG
(3-Benzoyloxy-2-methoxycarbonyl-8,8-dimethyl-8-azon...)
Show SMILES COC(=O)C1C2CC[C@H](CC1OC(=O)c1ccccc1)[N+]2(C)C
Show InChI InChI=1S/C18H24NO4/c1-19(2)13-9-10-14(19)16(18(21)22-3)15(11-13)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,9-11H2,1-3H3/q+1/t13-,14?,15?,16?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.07E+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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50008056
PNG
((+)-Benzoic acid 6-methyl-6-aza-bicyclo[3.2.1]oct-...)
Show SMILES CN1CC2CC1CC(C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C15H19NO2/c1-16-10-11-7-13(16)9-14(8-11)18-15(17)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.98E+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


Citation and Details
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-
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
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


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%