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SMILES: CC(C)Oc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1

InChI Key: InChIKey=JMPFLCLLMDQYKW-FPOVZHCZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50069865   
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))		BDBM50069865
PNG
((2-Isopropoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-...)
Show SMILES CC(C)Oc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1
Show InChI InChI=1S/C22H27F3N2O2/c1-15(2)28-20-11-10-18(29-22(23,24)25)13-17(20)14-27-19-9-6-12-26-21(19)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15,19,21,26-27H,6,9,12,14H2,1-2H3/t19-,21-/m0/s1
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PubMed
n/an/a 0.180n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells

Bioorg Med Chem Lett 8: 281-4 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60PK8
More data for this
Ligand-Target Pair