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BDBM322094 1-{5-[(2,5-difluorobenzyl)oxy]-1-(2,2-dimethylpropyl)-1H-pyrazol-3-yl}-N-methylmethanamine::US10183913, Example 258

SMILES: CNCc1cc(OCc2cc(F)ccc2F)n(CC(C)(C)C)n1

InChI Key: InChIKey=ZEOZGDUGZVKRTI-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 322094   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM322094
PNG
(1-{5-[(2,5-difluorobenzyl)oxy]-1-(2,2-dimethylprop...)
Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(CC(C)(C)C)n1
Show InChI InChI=1S/C17H23F2N3O/c1-17(2,3)11-22-16(8-14(21-22)9-20-4)23-10-12-7-13(18)5-6-15(12)19/h5-8,20H,9-11H2,1-4H3
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
0.660n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd

US Patent


Assay Description
The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...


US Patent US10183913 (2019)


BindingDB Entry DOI: 10.7270/Q2MW2K73
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM322094
PNG
(1-{5-[(2,5-difluorobenzyl)oxy]-1-(2,2-dimethylprop...)
Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(CC(C)(C)C)n1
Show InChI InChI=1S/C17H23F2N3O/c1-17(2,3)11-22-16(8-14(21-22)9-20-4)23-10-12-7-13(18)5-6-15(12)19/h5-8,20H,9-11H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
16n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)


BindingDB Entry DOI: 10.7270/Q2MW2K73
More data for this
Ligand-Target Pair