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BDBM50078778 (2R,3R)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester::CHEMBL299297

SMILES: COC(=O)[C@@H]1C2CCC(C[C@H]1OC(=O)c1ccccc1)O2

InChI Key: InChIKey=LZEYBRZITXZYGQ-NWINJMCUSA-N

Data: 2 KI

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50078778   
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
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50078778
PNG
((2R,3R)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@H]1OC(=O)c1ccccc1)O2 |TLB:11:10:20:6.7,THB:2:4:20:6.7|
Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14-/m1/s1
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
2.30E+4n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)


Bioorg Med Chem Lett 9: 1831-6 (1999)


BindingDB Entry DOI: 10.7270/Q2KS6S3Z
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50078778
PNG
((2R,3R)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@H]1OC(=O)c1ccccc1)O2 |TLB:11:10:20:6.7,THB:2:4:20:6.7|
Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
3.40E+4n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranes


Bioorg Med Chem Lett 9: 1831-6 (1999)


BindingDB Entry DOI: 10.7270/Q2KS6S3Z
More data for this
Ligand-Target Pair