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BDBM50178561 2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-(6-morpholino-4-o-tolylpyridin-3-yl)propanamide::CHEMBL204694

SMILES: CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)N1CCOCC1

InChI Key: InChIKey=ZGNPLCMMVKCTHM-UHFFFAOYSA-N

Data: 1 KI

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Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50178561   
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
Neurokinin 1 receptor


(Homo sapiens (Human))
BDBM50178561
PNG
(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-...)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)N1CCOCC1
Show InChI InChI=1S/C29H29F6N3O2/c1-18-7-5-6-8-22(18)23-16-25(38-9-11-40-12-10-38)36-17-24(23)37(4)26(39)27(2,3)19-13-20(28(30,31)32)15-21(14-19)29(33,34)35/h5-8,13-17H,9-12H2,1-4H3
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Article
PubMed
1n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-labeled substance P from cloned human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair