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BDBM50106391 CHEMBL3596479

SMILES: [O-][N+](=O)c1ccc(cc1)-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F

InChI Key: InChIKey=IERMTZRDHWBUPI-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50106391   
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))
BDBM50106391
PNG
(CHEMBL3596479)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C26H25F3N2O3/c27-26(28,29)23-15-19(14-21(16-23)20-6-8-24(9-7-20)31(32)33)17-34-18-25(10-12-30-13-11-25)22-4-2-1-3-5-22/h1-9,14-16,30H,10-13,17-18H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.80n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair