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BDBM50106360 CHEMBL3596487

SMILES: Fc1c(F)c(c(F)c(F)c1C#N)-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F

InChI Key: InChIKey=UIHAXJYWFWQPHO-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50106360   
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))
BDBM50106360
PNG
(CHEMBL3596487)
Show SMILES Fc1c(F)c(c(F)c(F)c1C#N)-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C27H21F7N2O/c28-22-20(13-35)23(29)25(31)21(24(22)30)17-10-16(11-19(12-17)27(32,33)34)14-37-15-26(6-8-36-9-7-26)18-4-2-1-3-5-18/h1-5,10-12,36H,6-9,14-15H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4.80n/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