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BDBM322103 1-[5-(Benzyloxy)-1-(1-cyclopentylethyl)-1H-pyrazol-3-yl]-N-methylmethanamine hydrochloride::US10183913, Example 288

SMILES: CNCc1cc(OCc2ccccc2)n(n1)C(C)C1CCCC1

InChI Key: InChIKey=YQDZJSBSZFUOOI-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 322103   
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
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM322103
PNG
(1-[5-(Benzyloxy)-1-(1-cyclopentylethyl)-1H-pyrazol...)
Show SMILES CNCc1cc(OCc2ccccc2)n(n1)C(C)C1CCCC1
Show InChI InChI=1S/C19H27N3O/c1-15(17-10-6-7-11-17)22-19(12-18(21-22)13-20-2)23-14-16-8-4-3-5-9-16/h3-5,8-9,12,15,17,20H,6-7,10-11,13-14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.860n/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)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM322103
PNG
(1-[5-(Benzyloxy)-1-(1-cyclopentylethyl)-1H-pyrazol...)
Show SMILES CNCc1cc(OCc2ccccc2)n(n1)C(C)C1CCCC1
Show InChI InChI=1S/C19H27N3O/c1-15(17-10-6-7-11-17)22-19(12-18(21-22)13-20-2)23-14-16-8-4-3-5-9-16/h3-5,8-9,12,15,17,20H,6-7,10-11,13-14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
19n/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)

More data for this
Ligand-Target Pair