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BDBM50030605 CHEMBL326889::N-(3,5-Bis-trifluoromethyl-benzyl)-N-methyl-2-(2-methyl-1-oxo-4-phenyl-1,2-dihydro-isoquinolin-3-yl)-acetamide

SMILES: CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)Cc1c(-c2ccccc2)c2ccccc2c(=O)n1C

InChI Key: InChIKey=SLAOVGOAOZJZKV-UHFFFAOYSA-N

Data: 1 IC50

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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 = 50030605   
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))
BDBM50030605
PNG
(CHEMBL326889 | N-(3,5-Bis-trifluoromethyl-benzyl)-...)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)Cc1c(-c2ccccc2)c2ccccc2c(=O)n1C
Show InChI InChI=1S/C28H22F6N2O2/c1-35(16-17-12-19(27(29,30)31)14-20(13-17)28(32,33)34)24(37)15-23-25(18-8-4-3-5-9-18)21-10-6-7-11-22(21)26(38)36(23)2/h3-14H,15-16H2,1-2H3
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 68n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd

Curated by ChEMBL


Assay Description
Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells


J Med Chem 38: 3106-20 (1995)


Article DOI: 10.1021/jm00016a014
BindingDB Entry DOI: 10.7270/Q2ZS2VJH
More data for this
Ligand-Target Pair