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BDBM50290865 3-[1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-2-phenyl-piperidine::CHEMBL102032

SMILES: C[C@@H](O[C@H]1CCCN[C@H]1c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=AXRHJNPWSRJZKN-VMDGZTHMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50290865   
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
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50290865
PNG
(3-[1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-2-ph...)
Show SMILES C[C@@H](O[C@H]1CCCN[C@H]1c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H21F6NO/c1-13(15-10-16(20(22,23)24)12-17(11-15)21(25,26)27)29-18-8-5-9-28-19(18)14-6-3-2-4-7-14/h2-4,6-7,10-13,18-19,28H,5,8-9H2,1H3/t13-,18+,19+/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
n/an/a 0.150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism of NK1 receptor in rat liver microsomes.


Bioorg Med Chem Lett 7: 2959-2962 (1997)


Article DOI: 10.1016/S0960-894X(97)10118-4
BindingDB Entry DOI: 10.7270/Q2W66KRX
More data for this
Ligand-Target Pair