BindingDB logo
myBDB logout

BDBM50304334 3alpha-(1'-Methyl-2'-Indolecarbonyloxy)-tropane::CHEMBL593963

SMILES: CN1[C@@H]2CC[C@@H]1CC(C2)OC(=O)c1cc2ccccc2n1C

InChI Key: InChIKey=WGAYVVNWRFPKMG-ZIAGYGMSSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50304334   
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
Serotonin (5-HT) receptor


(RAT)
BDBM50304334
PNG
(3alpha-(1'-Methyl-2'-Indolecarbonyloxy)-tropane | ...)
Show SMILES CN1[C@@H]2CC[C@@H]1CC(C2)OC(=O)c1cc2ccccc2n1C |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C18H22N2O2/c1-19-13-7-8-14(19)11-15(10-13)22-18(21)17-9-12-5-3-4-6-16(12)20(17)2/h3-6,9,13-15H,7-8,10-11H2,1-2H3/t13-,14-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]granisectron from 5HT3 receptor in Wistar rat forebrain


Bioorg Med Chem 17: 6872-8 (2009)


Article DOI: 10.1016/j.bmc.2009.08.029
BindingDB Entry DOI: 10.7270/Q2DJ5FQJ
More data for this
Ligand-Target Pair
Glycine, non-strychnine


(RAT)
BDBM50304334
PNG
(3alpha-(1'-Methyl-2'-Indolecarbonyloxy)-tropane | ...)
Show SMILES CN1[C@@H]2CC[C@@H]1CC(C2)OC(=O)c1cc2ccccc2n1C |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C18H22N2O2/c1-19-13-7-8-14(19)11-15(10-13)22-18(21)17-9-12-5-3-4-6-16(12)20(17)2/h3-6,9,13-15H,7-8,10-11H2,1-2H3/t13-,14-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]strychnine from GlyR low affinity site in Wistar rat spinal cord by scintillation spectrometry


Bioorg Med Chem 17: 6872-8 (2009)


Article DOI: 10.1016/j.bmc.2009.08.029
BindingDB Entry DOI: 10.7270/Q2DJ5FQJ
More data for this
Ligand-Target Pair
Glycine, non-strychnine


(RAT)
BDBM50304334
PNG
(3alpha-(1'-Methyl-2'-Indolecarbonyloxy)-tropane | ...)
Show SMILES CN1[C@@H]2CC[C@@H]1CC(C2)OC(=O)c1cc2ccccc2n1C |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C18H22N2O2/c1-19-13-7-8-14(19)11-15(10-13)22-18(21)17-9-12-5-3-4-6-16(12)20(17)2/h3-6,9,13-15H,7-8,10-11H2,1-2H3/t13-,14-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10.2n/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]strychnine from GlyR high affinity site in Wistar rat spinal cord by scintillation spectrometry


Bioorg Med Chem 17: 6872-8 (2009)


Article DOI: 10.1016/j.bmc.2009.08.029
BindingDB Entry DOI: 10.7270/Q2DJ5FQJ
More data for this
Ligand-Target Pair
Glycine, non-strychnine


(RAT)
BDBM50304334
PNG
(3alpha-(1'-Methyl-2'-Indolecarbonyloxy)-tropane | ...)
Show SMILES CN1[C@@H]2CC[C@@H]1CC(C2)OC(=O)c1cc2ccccc2n1C |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C18H22N2O2/c1-19-13-7-8-14(19)11-15(10-13)22-18(21)17-9-12-5-3-4-6-16(12)20(17)2/h3-6,9,13-15H,7-8,10-11H2,1-2H3/t13-,14-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.58E+3n/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]strychnine from GlyR in Wistar rat spinal cord by scintillation spectrometry


Bioorg Med Chem 17: 6872-8 (2009)


Article DOI: 10.1016/j.bmc.2009.08.029
BindingDB Entry DOI: 10.7270/Q2DJ5FQJ
More data for this
Ligand-Target Pair