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BDBM221649 US9303045, 148

SMILES: CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cncs2)c2ncccc12

InChI Key: InChIKey=VAVRARWIFUHQBY-UHFFFAOYNA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 221649   
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))
BDBM221649
PNG
(US9303045, 148)
Show SMILES CN1C2COCC1CC(C2)NC(=O)c1cn(-c2cncs2)c2ncccc12
Show InChI InChI=1/C19H21N5O2S/c1-23-13-5-12(6-14(23)10-26-9-13)22-19(25)16-8-24(17-7-20-11-27-17)18-15(16)3-2-4-21-18/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H,22,25)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/an/an/an/an/a37



Takeda Pharmaceutical Co., Ltd

US Patent


Assay Description
The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux a...


US Patent US9303045 (2016)


BindingDB Entry DOI: 10.7270/Q2NZ86HD
More data for this
Ligand-Target Pair