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BDBM50307819 5-Methoxy-1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide::CHEMBL605562

SMILES: COc1ccc2n(C)nc(C(=O)NC3C[C@@H]4CCC[C@@H](C3)N4C)c2c1

InChI Key: InChIKey=XQKKWUYBGYIOKW-KBPBESRZSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50307819   
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))
BDBM50307819
PNG
(5-Methoxy-1-methyl-N-[(3-endo)-9-methyl-9-azabicyc...)
Show SMILES COc1ccc2n(C)nc(C(=O)NC3C[C@@H]4CCC[C@@H](C3)N4C)c2c1 |r|
Show InChI InChI=1S/C19H26N4O2/c1-22-13-5-4-6-14(22)10-12(9-13)20-19(24)18-16-11-15(25-3)7-8-17(16)23(2)21-18/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,20,24)/t13-,14-/m0/s1
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Similars

Article
PubMed
5.31E+3n/an/an/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by scintillation counting


J Med Chem 53: 2324-8 (2010)


Article DOI: 10.1021/jm901827x
BindingDB Entry DOI: 10.7270/Q2JQ11Z5
More data for this
Ligand-Target Pair