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BDBM50114947 3,5-Bis-trifluoromethyl-benzoic acid 4-[4-(4-fluoro-phenyl)-piperidin-1-yl]-1-phenyl-cyclohexylmethyl ester::CHEMBL296541

SMILES: Fc1ccc(cc1)C1CCN(CC1)C1CCC(COC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1

InChI Key: InChIKey=SKAYGFFLRFARDX-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50114947   
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
Substance-P receptor


(Homo sapiens (Human))
BDBM50114947
PNG
(3,5-Bis-trifluoromethyl-benzoic acid 4-[4-(4-fluor...)
Show SMILES Fc1ccc(cc1)C1CCN(CC1)C1CCC(COC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1
Show InChI InChI=1S/C33H32F7NO2/c34-28-8-6-22(7-9-28)23-12-16-41(17-13-23)29-10-14-31(15-11-29,25-4-2-1-3-5-25)21-43-30(42)24-18-26(32(35,36)37)20-27(19-24)33(38,39)40/h1-9,18-20,23,29H,10-17,21H2
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Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled substance P from the cloned Tachykinin receptor 1


Bioorg Med Chem Lett 12: 1755-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00249-4
BindingDB Entry DOI: 10.7270/Q2SX6CKH
More data for this
Ligand-Target Pair