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BDBM50177374 (R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-4-(4-fluorophenyl)-1-methylimidazolidin-2-one::CHEMBL382771

SMILES: C[C@@H](OC[C@]1(CN(C)C(=O)N1)c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=NHCPLSKEMYTBPE-CWTRNNRKSA-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 = 50177374   
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


(Homo sapiens (Human))
BDBM50177374
PNG
((R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)etho...)
Show SMILES C[C@@H](OC[C@]1(CN(C)C(=O)N1)c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H19F7N2O2/c1-12(13-7-15(20(23,24)25)9-16(8-13)21(26,27)28)32-11-19(10-30(2)18(31)29-19)14-3-5-17(22)6-4-14/h3-9,12H,10-11H2,1-2H3,(H,29,31)/t12-,19-/m1/s1
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MMDB

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Similars

Article
PubMed
3.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-Sar-Met Substance P from recombinant human NK1 receptor in CHO cells


Bioorg Med Chem Lett 16: 1065-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.072
BindingDB Entry DOI: 10.7270/Q2K073TJ
More data for this
Ligand-Target Pair