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BDBM50000238 CHEMBL336305

SMILES: FC(F)(F)c1cc(COCC(N2CCNCC2)c2cccc(C=C)c2C=C)cc(c1)C(F)(F)F

InChI Key: InChIKey=PDKAKBKHMCQDHQ-UHFFFAOYSA-N

Data: 1 KI

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50000238   
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))
BDBM50000238
PNG
(CHEMBL336305)
Show SMILES FC(F)(F)c1cc(COCC(N2CCNCC2)c2cccc(C=C)c2C=C)cc(c1)C(F)(F)F
Show InChI InChI=1S/C25H26F6N2O/c1-3-18-6-5-7-22(21(18)4-2)23(33-10-8-32-9-11-33)16-34-15-17-12-19(24(26,27)28)14-20(13-17)25(29,30)31/h3-7,12-14,23,32H,1-2,8-11,15-16H2
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
PubMed
1.60n/an/an/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 437-42 (2003)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0
More data for this
Ligand-Target Pair