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BDBM50206265 CHEMBL3909084

SMILES: C1N=C(Nc2nccc3ccccc23)O[C@]11CN2CCC1CC2

InChI Key:

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 50206265   
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
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50206265
PNG
(CHEMBL3909084)
Show SMILES C1N=C(Nc2nccc3ccccc23)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,THB:14:15:18.19:22.21,(64.82,-20.78,;65.66,-19.49,;64.69,-18.29,;65.08,-16.8,;66.57,-16.4,;67.65,-17.49,;69.14,-17.09,;69.54,-15.6,;68.43,-14.52,;68.83,-13.04,;67.74,-11.96,;66.25,-12.37,;65.87,-13.84,;66.95,-14.92,;63.25,-18.85,;63.33,-20.39,;63.63,-21.91,;62.14,-21.22,;60.48,-21.94,;60.26,-20.43,;61.86,-19.73,;61.94,-17.95,;62.42,-19.16,)|
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PC cid
PC sid
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n/an/a 1.60E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT3A receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of Ca2+ flux by Fluo-4-AM dye based FLIPR as...


ACS Med Chem Lett 8: 133-137 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00471
BindingDB Entry DOI: 10.7270/Q2765HBF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50206265
PNG
(CHEMBL3909084)
Show SMILES C1N=C(Nc2nccc3ccccc23)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,THB:14:15:18.19:22.21,(64.82,-20.78,;65.66,-19.49,;64.69,-18.29,;65.08,-16.8,;66.57,-16.4,;67.65,-17.49,;69.14,-17.09,;69.54,-15.6,;68.43,-14.52,;68.83,-13.04,;67.74,-11.96,;66.25,-12.37,;65.87,-13.84,;66.95,-14.92,;63.25,-18.85,;63.33,-20.39,;63.63,-21.91,;62.14,-21.22,;60.48,-21.94,;60.26,-20.43,;61.86,-19.73,;61.94,-17.95,;62.42,-19.16,)|
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PC cid
PC sid
UniChem
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n/an/a 1.60E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...


J Med Chem 59: 11171-11181 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01506
BindingDB Entry DOI: 10.7270/Q2NS0X2H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50206265
PNG
(CHEMBL3909084)
Show SMILES C1N=C(Nc2nccc3ccccc23)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,THB:14:15:18.19:22.21,(64.82,-20.78,;65.66,-19.49,;64.69,-18.29,;65.08,-16.8,;66.57,-16.4,;67.65,-17.49,;69.14,-17.09,;69.54,-15.6,;68.43,-14.52,;68.83,-13.04,;67.74,-11.96,;66.25,-12.37,;65.87,-13.84,;66.95,-14.92,;63.25,-18.85,;63.33,-20.39,;63.63,-21.91,;62.14,-21.22,;60.48,-21.94,;60.26,-20.43,;61.86,-19.73,;61.94,-17.95,;62.42,-19.16,)|
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 210n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC3 measured for 2 mins by FLIPR assay


J Med Chem 59: 11171-11181 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01506
BindingDB Entry DOI: 10.7270/Q2NS0X2H
More data for this
Ligand-Target Pair