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BDBM50005574 3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid 2-(4-isothiocyanato-phenyl)-ethyl ester::CHEMBL425854

SMILES: CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccccc1)C(=O)OCCc1ccc(cc1)N=C=S

InChI Key: InChIKey=YFNOQEKRUIFWNP-NHIVGREZSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50005574   
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))
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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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Similars

Article
PubMed
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
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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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